Daily Papers

Aligning large language models (LLMs) to human preferences is challenging in domains where preference data is unavailable. We address the problem of learning reward models for such target domains by leveraging feedback collected from simpler source domains, where human preferences are easier to obtain. Our key insight is that, while domains may differ significantly, human preferences convey domain-agnostic concepts that can be effectively captured by a reward model. We propose \method, a framework that trains domain-invariant reward models by optimizing a dual loss: a domain loss that minimizes the divergence between source and target distribution, and a source loss that optimizes preferences on the source domain. We show \method is a general approach that we evaluate and analyze across 4 distinct settings: (1) Cross-lingual transfer (accuracy: 0.621 rightarrow 0.661), (2) Clean-to-noisy (accuracy: 0.671 rightarrow 0.703), (3) Few-shot-to-full transfer (accuracy: 0.845 rightarrow 0.920), and (4) Simple-to-complex tasks transfer (correlation: 0.508 rightarrow 0.556). Our code, models and data are available at https://github.com/portal-cornell/dial.

Text-to-image (T2I) personalization allows users to guide the creative image generation process by combining their own visual concepts in natural language prompts. Recently, encoder-based techniques have emerged as a new effective approach for T2I personalization, reducing the need for multiple images and long training times. However, most existing encoders are limited to a single-class domain, which hinders their ability to handle diverse concepts. In this work, we propose a domain-agnostic method that does not require any specialized dataset or prior information about the personalized concepts. We introduce a novel contrastive-based regularization technique to maintain high fidelity to the target concept characteristics while keeping the predicted embeddings close to editable regions of the latent space, by pushing the predicted tokens toward their nearest existing CLIP tokens. Our experimental results demonstrate the effectiveness of our approach and show how the learned tokens are more semantic than tokens predicted by unregularized models. This leads to a better representation that achieves state-of-the-art performance while being more flexible than previous methods.

The ability to summarize and organize knowledge into abstract concepts is key to learning and reasoning. Many industrial applications rely on the consistent and systematic use of concepts, especially when dealing with decision-critical knowledge. However, we demonstrate that, when methodically questioned, large language models (LLMs) often display and demonstrate significant inconsistencies in their knowledge. Computationally, the basic aspects of the conceptualization of a given domain can be represented as Is-A hierarchies in a knowledge graph (KG) or ontology, together with a few properties or axioms that enable straightforward reasoning. We show that even simple ontologies can be used to reveal conceptual inconsistencies across several LLMs. We also propose strategies that domain experts can use to evaluate and improve the coverage of key domain concepts in LLMs of various sizes. In particular, we have been able to significantly enhance the performance of LLMs of various sizes with openly available weights using simple knowledge-graph (KG) based prompting strategies.

Continual domain shift poses a significant challenge in real-world applications, particularly in situations where labeled data is not available for new domains. The challenge of acquiring knowledge in this problem setting is referred to as unsupervised continual domain shift learning. Existing methods for domain adaptation and generalization have limitations in addressing this issue, as they focus either on adapting to a specific domain or generalizing to unseen domains, but not both. In this paper, we propose Complementary Domain Adaptation and Generalization (CoDAG), a simple yet effective learning framework that combines domain adaptation and generalization in a complementary manner to achieve three major goals of unsupervised continual domain shift learning: adapting to a current domain, generalizing to unseen domains, and preventing forgetting of previously seen domains. Our approach is model-agnostic, meaning that it is compatible with any existing domain adaptation and generalization algorithms. We evaluate CoDAG on several benchmark datasets and demonstrate that our model outperforms state-of-the-art models in all datasets and evaluation metrics, highlighting its effectiveness and robustness in handling unsupervised continual domain shift learning.

Large language models (LLMs) have attracted considerable attention in various fields for their cost-effective solutions to diverse challenges, especially with advancements in instruction tuning and quantization. E-commerce, with its complex tasks and extensive product-user interactions, presents a promising application area for LLMs. However, the domain-specific concepts and knowledge inherent in e-commerce pose significant challenges for adapting general LLMs. To address this issue, we developed EC-Guide https://github.com/fzp0424/EC-Guide-KDDUP-2024, a comprehensive e-commerce guide for instruction tuning and quantization of LLMs. We also heuristically integrated Chain-of-Thought (CoT) during inference to enhance arithmetic performance. Our approach achieved the 2nd place in Track 2 and 5th place in Track 5 at the Amazon KDD Cup'24 https://www.aicrowd.com/challenges/amazon-kdd-cup-2024-multi-task-online-shopping-challenge-for-llms. Additionally, our solution is model-agnostic, enabling effective scalability across larger systems.

Recent advances in Large Reasoning Models (LRMs) trained with Long Chain-of-Thought (Long CoT) reasoning have demonstrated remarkable cross-domain generalization capabilities. However, the underlying mechanisms supporting such transfer remain poorly understood. We hypothesize that cross-domain generalization arises from shared abstract reasoning prototypes -- fundamental reasoning patterns that capture the essence of problems across domains. These prototypes minimize the nuances of the representation, revealing that seemingly diverse tasks are grounded in shared reasoning structures.Based on this hypothesis, we propose ProtoReasoning, a framework that enhances the reasoning ability of LLMs by leveraging scalable and verifiable prototypical representations (Prolog for logical reasoning, PDDL for planning).ProtoReasoning features: (1) an automated prototype construction pipeline that transforms problems into corresponding prototype representations; (2) a comprehensive verification system providing reliable feedback through Prolog/PDDL interpreters; (3) the scalability to synthesize problems arbitrarily within prototype space while ensuring correctness. Extensive experiments show that ProtoReasoning achieves 4.7% improvement over baseline models on logical reasoning (Enigmata-Eval), 6.3% improvement on planning tasks, 4.0% improvement on general reasoning (MMLU) and 1.0% on mathematics (AIME24). Significantly, our ablation studies confirm that learning in prototype space also demonstrates enhanced generalization to structurally similar problems compared to training solely on natural language representations, validating our hypothesis that reasoning prototypes serve as the foundation for generalizable reasoning in large language models.

Metacognitive knowledge refers to humans' intuitive knowledge of their own thinking and reasoning processes. Today's best LLMs clearly possess some reasoning processes. The paper gives evidence that they also have metacognitive knowledge, including ability to name skills and procedures to apply given a task. We explore this primarily in context of math reasoning, developing a prompt-guided interaction procedure to get a powerful LLM to assign sensible skill labels to math questions, followed by having it perform semantic clustering to obtain coarser families of skill labels. These coarse skill labels look interpretable to humans. To validate that these skill labels are meaningful and relevant to the LLM's reasoning processes we perform the following experiments. (a) We ask GPT-4 to assign skill labels to training questions in math datasets GSM8K and MATH. (b) When using an LLM to solve the test questions, we present it with the full list of skill labels and ask it to identify the skill needed. Then it is presented with randomly selected exemplar solved questions associated with that skill label. This improves accuracy on GSM8k and MATH for several strong LLMs, including code-assisted models. The methodology presented is domain-agnostic, even though this article applies it to math problems.

Domain adaptation aims to mitigate distribution shifts among different domains. However, traditional formulations are mostly limited to categorical domains, greatly simplifying nuanced domain relationships in the real world. In this work, we tackle a generalization with taxonomy-structured domains, which formalizes domains with nested, hierarchical similarity structures such as animal species and product catalogs. We build on the classic adversarial framework and introduce a novel taxonomist, which competes with the adversarial discriminator to preserve the taxonomy information. The equilibrium recovers the classic adversarial domain adaptation's solution if given a non-informative domain taxonomy (e.g., a flat taxonomy where all leaf nodes connect to the root node) while yielding non-trivial results with other taxonomies. Empirically, our method achieves state-of-the-art performance on both synthetic and real-world datasets with successful adaptation. Code is available at https://github.com/Wang-ML-Lab/TSDA.

Graphs are able to model interconnected entities in many online services, supporting a wide range of applications on the Web. This raises an important question: How can we train a graph foundational model on multiple source domains and adapt to an unseen target domain? A major obstacle is that graphs from different domains often exhibit divergent characteristics. Some studies leverage large language models to align multiple domains based on textual descriptions associated with the graphs, limiting their applicability to text-attributed graphs. For text-free graphs, a few recent works attempt to align different feature distributions across domains, while generally neglecting structural differences. In this work, we propose a novel Structure Alignment framework for text-free Multi-domain Graph Pre-Training and cross-domain adaptation (SAMGPT). It is designed to learn multi-domain knowledge from graphs originating in multiple source domains, which can then be adapted to address applications in an unseen target domain. Specifically, we introduce a set of structure tokens to harmonize structure-based aggregation across source domains during the pre-training phase. Next, for cross-domain adaptation, we design dual prompts, namely, holistic prompts and specific prompts, which adapt unified multi-domain structural knowledge and fine-grained, domain-specific information, respectively, to a target domain. Finally, we conduct comprehensive experiments on seven public datasets to evaluate and analyze the effectiveness of SAMGPT.

Domain generalization (DG) aims to tackle the distribution shift between training domains and unknown target domains. Generating new domains is one of the most effective approaches, yet its performance gain depends on the distribution discrepancy between the generated and target domains. Distributionally robust optimization is promising to tackle distribution discrepancy by exploring domains in an uncertainty set. However, the uncertainty set may be overwhelmingly large, leading to low-confidence prediction in DG. It is because a large uncertainty set could introduce domains containing semantically different factors from training domains. To address this issue, we propose to perform a moderately distributional exploration (MODE) for domain generalization. Specifically, MODE performs distribution exploration in an uncertainty subset that shares the same semantic factors with the training domains. We show that MODE can endow models with provable generalization performance on unknown target domains. The experimental results show that MODE achieves competitive performance compared to state-of-the-art baselines.

Language models traditionally used for cross-domain generalization have recently demonstrated task-specific reasoning. However, their top-down training approach on general corpora is insufficient for acquiring abstractions needed for deep domain expertise. This may require a bottom-up approach that acquires expertise by learning to compose simple domain concepts into more complex ones. A knowledge graph (KG) provides this compositional structure, where domain primitives are represented as head-relation-tail edges and their paths encode higher-level concepts. We present a task generation pipeline that synthesizes tasks directly from KG primitives, enabling models to acquire and compose them for reasoning. We fine-tune language models on the resultant KG-grounded curriculum to demonstrate domain-specific superintelligence. While broadly applicable, we validate our approach in medicine, where reliable KGs exist. Using a medical KG, we curate 24,000 reasoning tasks paired with thinking traces derived from diverse medical primitives. We fine-tune the QwQ-32B model on this curriculum to obtain QwQ-Med-3 that takes a step towards medical superintelligence. We also introduce ICD-Bench, an evaluation suite to quantify reasoning abilities across 15 medical domains. Our experiments demonstrate that QwQ-Med-3 significantly outperforms state-of-the-art reasoning models on ICD-Bench categories. Further analysis reveals that QwQ-Med-3 utilizes acquired primitives to widen the performance gap on the hardest tasks of ICD-Bench. Finally, evaluation on medical question-answer benchmarks shows that QwQ-Med-3 transfers acquired expertise to enhance the base model's performance. While the industry's approach to artificial general intelligence (AGI) emphasizes broad expertise, we envision a future in which AGI emerges from the composable interaction of efficient domain-specific superintelligent agents.

This paper presents OG-RAG, an Ontology-Grounded Retrieval Augmented Generation method designed to enhance LLM-generated responses by anchoring retrieval processes in domain-specific ontologies. While LLMs are widely used for tasks like question answering and search, they struggle to adapt to specialized knowledge, such as industrial workflows or knowledge work, without expensive fine-tuning or sub-optimal retrieval methods. Existing retrieval-augmented models, such as RAG, offer improvements but fail to account for structured domain knowledge, leading to suboptimal context generation. Ontologies, which conceptually organize domain knowledge by defining entities and their interrelationships, offer a structured representation to address this gap. OG-RAG constructs a hypergraph representation of domain documents, where each hyperedge encapsulates clusters of factual knowledge grounded using domain-specific ontology. An optimization algorithm then retrieves the minimal set of hyperedges that constructs a precise, conceptually grounded context for the LLM. This method enables efficient retrieval while preserving the complex relationships between entities. OG-RAG applies to domains where fact-based reasoning is essential, particularly in tasks that require workflows or decision-making steps to follow predefined rules and procedures. These include industrial workflows in healthcare, legal, and agricultural sectors, as well as knowledge-driven tasks such as news journalism, investigative research, consulting and more. Our evaluations demonstrate that OG-RAG increases the recall of accurate facts by 55% and improves response correctness by 40% across four different LLMs. Additionally, OG-RAG enables 30% faster attribution of responses to context and boosts fact-based reasoning accuracy by 27% compared to baseline methods.

Distribution shift presents a significant challenge in machine learning, where models often underperform during the test stage when faced with a different distribution than the one they were trained on. This paper focuses on domain shifts, which occur when the model is applied to new domains that are different from the ones it was trained on, and propose a new approach called D^3G. Unlike previous methods that aim to learn a single model that is domain invariant, D^3G leverages domain similarities based on domain metadata to learn domain-specific models. Concretely, D^3G learns a set of training-domain-specific functions during the training stage and reweights them based on domain relations during the test stage. These domain relations can be directly obtained and learned from domain metadata. Under mild assumptions, we theoretically prove that using domain relations to reweight training-domain-specific functions achieves stronger out-of-domain generalization compared to the conventional averaging approach. Empirically, we evaluate the effectiveness of D^3G using real-world datasets for tasks such as temperature regression, land use classification, and molecule-protein binding affinity prediction. Our results show that D^3G consistently outperforms state-of-the-art methods.

Unsupervised domain translation (UDT) aims to find functions that convert samples from one domain (e.g., sketches) to another domain (e.g., photos) without changing the high-level semantic meaning (also referred to as ``content''). The translation functions are often sought by probability distribution matching of the transformed source domain and target domain. CycleGAN stands as arguably the most representative approach among this line of work. However, it was noticed in the literature that CycleGAN and variants could fail to identify the desired translation functions and produce content-misaligned translations. This limitation arises due to the presence of multiple translation functions -- referred to as ``measure-preserving automorphism" (MPA) -- in the solution space of the learning criteria. Despite awareness of such identifiability issues, solutions have remained elusive. This study delves into the core identifiability inquiry and introduces an MPA elimination theory. Our analysis shows that MPA is unlikely to exist, if multiple pairs of diverse cross-domain conditional distributions are matched by the learning function. Our theory leads to a UDT learner using distribution matching over auxiliary variable-induced subsets of the domains -- other than over the entire data domains as in the classical approaches. The proposed framework is the first to rigorously establish translation identifiability under reasonable UDT settings, to our best knowledge. Experiments corroborate with our theoretical claims.

In this paper, we present a new theoretical approach for enabling domain knowledge acquisition by intelligent systems. We introduce a hybrid model that starts with minimal input knowledge in the form of an upper ontology of concepts, stores and reasons over this knowledge through a knowledge graph database and learns new information through a Logic Neural Network. We study the behavior of this architecture when handling new data and show that the final system is capable of enriching its current knowledge as well as extending it to new domains.

Large Language Models (LLMs) are widely applied to downstream domains. However, current LLMs for high-stakes domain tasks, such as financial investment and legal QA, typically generate brief answers without reasoning processes and explanations. This limits users' confidence in making decisions based on their responses. While original CoT shows promise, it lacks self-correction mechanisms during reasoning. This work introduces Domaino1s, which enhances LLMs' reasoning capabilities on domain tasks through supervised fine-tuning and tree search. We construct CoT-stock-2k and CoT-legal-2k datasets for fine-tuning models that activate domain-specific reasoning steps based on their judgment. Additionally, we propose Selective Tree Exploration to spontaneously explore solution spaces and sample optimal reasoning paths to improve performance. We also introduce PROOF-Score, a new metric for evaluating domain models' explainability, complementing traditional accuracy metrics with richer assessment dimensions. Extensive experiments on stock investment recommendation and legal reasoning QA tasks demonstrate Domaino1s's leading performance and explainability. Our code is available at https://anonymous.4open.science/r/Domaino1s-006F/.

Problem-solving has been a fundamental driver of human progress in numerous domains. With advancements in artificial intelligence, Large Language Models (LLMs) have emerged as powerful tools capable of tackling complex problems across diverse domains. Unlike traditional computational systems, LLMs combine raw computational power with an approximation of human reasoning, allowing them to generate solutions, make inferences, and even leverage external computational tools. However, applying LLMs to real-world problem-solving presents significant challenges, including multi-step reasoning, domain knowledge integration, and result verification. This survey explores the capabilities and limitations of LLMs in complex problem-solving, examining techniques including Chain-of-Thought (CoT) reasoning, knowledge augmentation, and various LLM-based and tool-based verification techniques. Additionally, we highlight domain-specific challenges in various domains, such as software engineering, mathematical reasoning and proving, data analysis and modeling, and scientific research. The paper further discusses the fundamental limitations of the current LLM solutions and the future directions of LLM-based complex problems solving from the perspective of multi-step reasoning, domain knowledge integration and result verification.

Despite the widespread exploration of Retrieval-Augmented Generation (RAG), its deployment in enterprises for domain-specific datasets remains limited due to poor answer accuracy. These corpora, often shielded behind firewalls in private enterprise knowledge bases, having complex, domain-specific terminology, rarely seen by LLMs during pre-training; exhibit significant semantic variability across domains (like networking, military, or legal, etc.), or even within a single domain like medicine, and thus result in poor context precision for RAG systems. Currently, in such situations, fine-tuning or RAG with fine-tuning is attempted, but these approaches are slow, expensive, and lack generalization for accuracy as the new domain-specific data emerges. We propose an approach for Enterprise Search that focuses on enhancing the retriever for a domain-specific corpus through hybrid query indexes and metadata enrichment. This 'MetaGen Blended RAG' method constructs a metadata generation pipeline using key concepts, topics, and acronyms, and then creates a metadata-enriched hybrid index with boosted search queries. This approach avoids overfitting and generalizes effectively across domains. On the PubMedQA benchmark for the biomedical domain, the proposed method achieves 82% retrieval accuracy and 77% RAG accuracy, surpassing all previous RAG accuracy results without fine-tuning and sets a new benchmark for zero-shot results while outperforming much larger models like GPT3.5. The results are even comparable to the best fine-tuned models on this dataset, and we further demonstrate the robustness and scalability of the approach by evaluating it on other Q&A datasets like SQuAD, NQ etc.

Recent advances in AI -- including generative approaches -- have resulted in technology that can support humans in scientific discovery and decision support but may also disrupt democracies and target individuals. The responsible use of AI increasingly shows the need for human-AI teaming, necessitating effective interaction between humans and machines. A crucial yet often overlooked aspect of these interactions is the different ways in which humans and machines generalise. In cognitive science, human generalisation commonly involves abstraction and concept learning. In contrast, AI generalisation encompasses out-of-domain generalisation in machine learning, rule-based reasoning in symbolic AI, and abstraction in neuro-symbolic AI. In this perspective paper, we combine insights from AI and cognitive science to identify key commonalities and differences across three dimensions: notions of generalisation, methods for generalisation, and evaluation of generalisation. We map the different conceptualisations of generalisation in AI and cognitive science along these three dimensions and consider their role in human-AI teaming. This results in interdisciplinary challenges across AI and cognitive science that must be tackled to provide a foundation for effective and cognitively supported alignment in human-AI teaming scenarios.

Cross-domain text classification aims to adapt models to a target domain that lacks labeled data. It leverages or reuses rich labeled data from the different but related source domain(s) and unlabeled data from the target domain. To this end, previous work focuses on either extracting domain-invariant features or task-agnostic features, ignoring domain-aware features that may be present in the target domain and could be useful for the downstream task. In this paper, we propose a two-stage framework for cross-domain text classification. In the first stage, we finetune the model with mask language modeling (MLM) and labeled data from the source domain. In the second stage, we further fine-tune the model with self-supervised distillation (SSD) and unlabeled data from the target domain. We evaluate its performance on a public cross-domain text classification benchmark and the experiment results show that our method achieves new state-of-the-art results for both single-source domain adaptations (94.17% uparrow1.03%) and multi-source domain adaptations (95.09% uparrow1.34%).

Recent work by (Richardson and Kuhn, 2017a,b; Richardson et al., 2018) looks at semantic parser induction and question answering in the domain of source code libraries and APIs. In this brief note, we formalize the representations being learned in these studies and introduce a simple domain specific language and a systematic translation from this language to first-order logic. By recasting the target representations in terms of classical logic, we aim to broaden the applicability of existing code datasets for investigating more complex natural language understanding and reasoning problems in the software domain.

In this paper we present a system that exploits different pre-trained Language Models for assigning domain labels to WordNet synsets without any kind of supervision. Furthermore, the system is not restricted to use a particular set of domain labels. We exploit the knowledge encoded within different off-the-shelf pre-trained Language Models and task formulations to infer the domain label of a particular WordNet definition. The proposed zero-shot system achieves a new state-of-the-art on the English dataset used in the evaluation.

Large Language Models (LLMs) have demonstrated remarkable proficiency in understanding and generating natural language. However, their capabilities wane in highly specialized domains underrepresented in the pretraining corpus, such as physical and biomedical sciences. This work explores how to repurpose general LLMs into effective task solvers for specialized domains. We introduce a novel, model-agnostic framework for learning custom input tags, which are parameterized as continuous vectors appended to the LLM's embedding layer, to condition the LLM. We design two types of input tags: domain tags are used to delimit specialized representations (e.g., chemical formulas) and provide domain-relevant context; function tags are used to represent specific functions (e.g., predicting molecular properties) and compress function-solving instructions. We develop a three-stage protocol to learn these tags using auxiliary data and domain knowledge. By explicitly disentangling task domains from task functions, our method enables zero-shot generalization to unseen problems through diverse combinations of the input tags. It also boosts LLM's performance in various specialized domains, such as predicting protein or chemical properties and modeling drug-target interactions, outperforming expert models tailored to these tasks.

Current state-of-the-art dialogue systems heavily rely on extensive training datasets. However, challenges arise in domains where domain-specific training datasets are insufficient or entirely absent. To tackle this challenge, we propose a novel data Augmentation framework for Multi-Domain Dialogue Generation, referred to as AMD^2G. The AMD^2G framework consists of a data augmentation process and a two-stage training approach: domain-agnostic training and domain adaptation training. We posit that domain corpora are a blend of domain-agnostic and domain-specific features, with certain representation patterns shared among diverse domains. Domain-agnostic training aims to enable models to learn these common expressive patterns. To construct domain-agnostic dialogue corpora, we employ a \textbf{de-domaining} data processing technique used to remove domain-specific features. By mitigating the effects of domain-specific features, the model trained on the de-domained corpora can effectively learn common expression patterns in different domains. Subsequently, we adapt the learned domain-agnostic features to the target domain through domain adaptation training. We conduct experiments on Chinese dialogue datasets from five different domains and show that AMD^2G achieves superior performance compared to both direct training on the target domain corpus and collective training on all five domain corpora. Our work underscores AMD^2G as a viable alternative solution for low-resource multi-domain dialogue generation. Code and data associated with our work are available on GitHub repository^{text 1}.

Ontologies comprising of concepts, their attributes, and relationships are used in many knowledge based AI systems. While there have been efforts towards populating domain specific ontologies, we examine the role of document structure in learning ontological relationships between concepts in any document corpus. Inspired by ideas from hypernym discovery and explainability, our method performs about 15 points more accurate than a stand-alone R-GCN model for this task.

A multi-decade exploration into the theoretical foundations of artificial and natural general intelligence, which has been expressed in a series of books and papers and used to guide a series of practical and research-prototype software systems, is reviewed at a moderate level of detail. The review covers underlying philosophies (patternist philosophy of mind, foundational phenomenological and logical ontology), formalizations of the concept of intelligence, and a proposed high level architecture for AGI systems partly driven by these formalizations and philosophies. The implementation of specific cognitive processes such as logical reasoning, program learning, clustering and attention allocation in the context and language of this high level architecture is considered, as is the importance of a common (e.g. typed metagraph based) knowledge representation for enabling "cognitive synergy" between the various processes. The specifics of human-like cognitive architecture are presented as manifestations of these general principles, and key aspects of machine consciousness and machine ethics are also treated in this context. Lessons for practical implementation of advanced AGI in frameworks such as OpenCog Hyperon are briefly considered.

We propose a framework for classifying the capabilities and behavior of Artificial General Intelligence (AGI) models and their precursors. This framework introduces levels of AGI performance, generality, and autonomy, providing a common language to compare models, assess risks, and measure progress along the path to AGI. To develop our framework, we analyze existing definitions of AGI, and distill six principles that a useful ontology for AGI should satisfy. With these principles in mind, we propose "Levels of AGI" based on depth (performance) and breadth (generality) of capabilities, and reflect on how current systems fit into this ontology. We discuss the challenging requirements for future benchmarks that quantify the behavior and capabilities of AGI models against these levels. Finally, we discuss how these levels of AGI interact with deployment considerations such as autonomy and risk, and emphasize the importance of carefully selecting Human-AI Interaction paradigms for responsible and safe deployment of highly capable AI systems.

Can one inject new concepts into an already trained generative model, while respecting its existing structure and knowledge? We propose a new task - domain expansion - to address this. Given a pretrained generator and novel (but related) domains, we expand the generator to jointly model all domains, old and new, harmoniously. First, we note the generator contains a meaningful, pretrained latent space. Is it possible to minimally perturb this hard-earned representation, while maximally representing the new domains? Interestingly, we find that the latent space offers unused, "dormant" directions, which do not affect the output. This provides an opportunity: By "repurposing" these directions, we can represent new domains without perturbing the original representation. In fact, we find that pretrained generators have the capacity to add several - even hundreds - of new domains! Using our expansion method, one "expanded" model can supersede numerous domain-specific models, without expanding the model size. Additionally, a single expanded generator natively supports smooth transitions between domains, as well as composition of domains. Code and project page available at https://yotamnitzan.github.io/domain-expansion/.

Domain-independent heuristics have long been a cornerstone of AI planning, offering general solutions applicable across a wide range of tasks without requiring domain-specific engineering. However, the advent of large language models (LLMs) presents an opportunity to generate heuristics tailored to specific planning problems, potentially challenging the necessity of domain independence as a strict design principle. In this paper, we explore the use of LLMs to automatically derive planning heuristics from task descriptions represented as successor generators and goal tests written in general purpose programming language. We investigate the trade-offs between domain-specific LLM-generated heuristics and traditional domain-independent methods in terms of computational efficiency and explainability. Our experiments demonstrate that LLMs can create heuristics that achieve state-of-the-art performance on some standard IPC domains, as well as their ability to solve problems that lack an adequate Planning Domain Definition Language ({\sc pddl}) representation. We discuss whether these results signify a paradigm shift and how they can complement existing approaches.

Interactive theorem provers (ITPs) require manual formalization, which is labor-intensive and demands expert knowledge. While automated formalization offers a potential solution, it faces two major challenges: model hallucination (e.g., undefined predicates, symbol misuse, and version incompatibility) and the semantic gap caused by ambiguous or missing premises in natural language descriptions. To address these issues, we propose CRAMF, a Concept-driven Retrieval-Augmented Mathematical Formalization framework. CRAMF enhances LLM-based autoformalization by retrieving formal definitions of core mathematical concepts, providing contextual grounding during code generation. However, applying retrieval-augmented generation (RAG) in this setting is non-trivial due to the lack of structured knowledge bases, the polymorphic nature of mathematical concepts, and the high precision required in formal retrieval. We introduce a framework for automatically constructing a concept-definition knowledge base from Mathlib4, the standard mathematical library for the Lean 4 theorem prover, indexing over 26,000 formal definitions and 1,000+ core mathematical concepts. To address conceptual polymorphism, we propose contextual query augmentation with domain- and application-level signals. In addition, we design a dual-channel hybrid retrieval strategy with reranking to ensure accurate and relevant definition retrieval. Experiments on miniF2F, ProofNet, and our newly proposed AdvancedMath benchmark show that CRAMF can be seamlessly integrated into LLM-based autoformalizers, yielding consistent improvements in translation accuracy, achieving up to 62.1% and an average of 29.9% relative improvement.

We present KNOW--the Knowledge Navigator Ontology for the World--the first ontology designed to capture everyday knowledge to augment large language models (LLMs) in real-world generative AI use cases such as personal AI assistants. Our domain is human life, both its everyday concerns and its major milestones. We have limited the initial scope of the modeled concepts to only established human universals: spacetime (places, events) plus social (people, groups, organizations). The inclusion criteria for modeled concepts are pragmatic, beginning with universality and utility. We compare and contrast previous work such as Schema.org and Cyc--as well as attempts at a synthesis of knowledge graphs and language models--noting how LLMs already encode internally much of the commonsense tacit knowledge that took decades to capture in the Cyc project. We also make available code-generated software libraries for the 12 most popular programming languages, enabling the direct use of ontology concepts in software engineering. We emphasize simplicity and developer experience in promoting AI interoperability.

Recognizing the prevalence of domain shift as a common challenge in machine learning, various domain generalization (DG) techniques have been developed to enhance the performance of machine learning systems when dealing with out-of-distribution (OOD) data. Furthermore, in real-world scenarios, data distributions can gradually change across a sequence of sequential domains. While current methodologies primarily focus on improving model effectiveness within these new domains, they often overlook fairness issues throughout the learning process. In response, we introduce an innovative framework called Counterfactual Fairness-Aware Domain Generalization with Sequential Autoencoder (CDSAE). This approach effectively separates environmental information and sensitive attributes from the embedded representation of classification features. This concurrent separation not only greatly improves model generalization across diverse and unfamiliar domains but also effectively addresses challenges related to unfair classification. Our strategy is rooted in the principles of causal inference to tackle these dual issues. To examine the intricate relationship between semantic information, sensitive attributes, and environmental cues, we systematically categorize exogenous uncertainty factors into four latent variables: 1) semantic information influenced by sensitive attributes, 2) semantic information unaffected by sensitive attributes, 3) environmental cues influenced by sensitive attributes, and 4) environmental cues unaffected by sensitive attributes. By incorporating fairness regularization, we exclusively employ semantic information for classification purposes. Empirical validation on synthetic and real-world datasets substantiates the effectiveness of our approach, demonstrating improved accuracy levels while ensuring the preservation of fairness in the evolving landscape of continuous domains.

Scientific literature is growing exponentially, creating a critical bottleneck for researchers to efficiently synthesize knowledge. While general-purpose Large Language Models (LLMs) show potential in text processing, they often fail to capture scientific domain-specific nuances (e.g., technical jargon, methodological rigor) and struggle with complex scientific tasks, limiting their utility for interdisciplinary research. To address these gaps, this paper presents SciGPT, a domain-adapted foundation model for scientific literature understanding and ScienceBench, an open source benchmark tailored to evaluate scientific LLMs. Built on the Qwen3 architecture, SciGPT incorporates three key innovations: (1) low-cost domain distillation via a two-stage pipeline to balance performance and efficiency; (2) a Sparse Mixture-of-Experts (SMoE) attention mechanism that cuts memory consumption by 55\% for 32,000-token long-document reasoning; and (3) knowledge-aware adaptation integrating domain ontologies to bridge interdisciplinary knowledge gaps. Experimental results on ScienceBench show that SciGPT outperforms GPT-4o in core scientific tasks including sequence labeling, generation, and inference. It also exhibits strong robustness in unseen scientific tasks, validating its potential to facilitate AI-augmented scientific discovery.

Textual domain is a crucial property within the Natural Language Processing (NLP) community due to its effects on downstream model performance. The concept itself is, however, loosely defined and, in practice, refers to any non-typological property, such as genre, topic, medium or style of a document. We investigate the core notion of domains via human proficiency in identifying related intrinsic textual properties, specifically the concepts of genre (communicative purpose) and topic (subject matter). We publish our annotations in *TGeGUM*: A collection of 9.1k sentences from the GUM dataset (Zeldes, 2017) with single sentence and larger context (i.e., prose) annotations for one of 11 genres (source type), and its topic/subtopic as per the Dewey Decimal library classification system (Dewey, 1979), consisting of 10/100 hierarchical topics of increased granularity. Each instance is annotated by three annotators, for a total of 32.7k annotations, allowing us to examine the level of human disagreement and the relative difficulty of each annotation task. With a Fleiss' kappa of at most 0.53 on the sentence level and 0.66 at the prose level, it is evident that despite the ubiquity of domains in NLP, there is little human consensus on how to define them. By training classifiers to perform the same task, we find that this uncertainty also extends to NLP models.

Large Language Models (LLMs) have been successful in mathematical reasoning tasks such as formal theorem proving when integrated with interactive proof assistants like Lean. Existing approaches involve training or fine-tuning an LLM on a specific dataset to perform well on particular domains, such as undergraduate-level mathematics. These methods struggle with generalizability to advanced mathematics. A fundamental limitation is that these approaches operate on static domains, failing to capture how mathematicians often work across multiple domains and projects simultaneously or cyclically. We present LeanAgent, a novel lifelong learning framework for theorem proving that continuously generalizes to and improves on ever-expanding mathematical knowledge without forgetting previously learned knowledge. LeanAgent introduces several key innovations, including a curriculum learning strategy that optimizes the learning trajectory in terms of mathematical difficulty, a dynamic database for efficient management of evolving mathematical knowledge, and progressive training to balance stability and plasticity. LeanAgent successfully proves 162 theorems previously unproved by humans across 23 diverse Lean repositories, many from advanced mathematics. It performs up to 11times better than the static LLM baseline, proving challenging theorems in domains like abstract algebra and algebraic topology while showcasing a clear progression of learning from basic concepts to advanced topics. In addition, we analyze LeanAgent's superior performance on key lifelong learning metrics. LeanAgent achieves exceptional scores in stability and backward transfer, where learning new tasks improves performance on previously learned tasks. This emphasizes LeanAgent's continuous generalizability and improvement, explaining its superior theorem proving performance.

It is desirable to coarsely classify short scientific texts, such as grant or publication abstracts, for strategic insight or research portfolio management. These texts efficiently transmit dense information to experts possessing a rich body of knowledge to aid interpretation. Yet this task is remarkably difficult to automate because of brevity and the absence of context. To address this gap, we have developed a novel approach to generate and appropriately assign coarse domain-specific labels. We show that a Large Language Model (LLM) can provide metadata essential to the task, in a process akin to the augmentation of supplemental knowledge representing human intuition, and propose a workflow. As a pilot study, we use a corpus of award abstracts from the National Aeronautics and Space Administration (NASA). We develop new assessment tools in concert with established performance metrics.

Understanding Rebus Puzzles (Rebus Puzzles use pictures, symbols, and letters to represent words or phrases creatively) requires a variety of skills such as image recognition, cognitive skills, commonsense reasoning, multi-step reasoning, image-based wordplay, etc., making this a challenging task for even current Vision-Language Models. In this paper, we present left|,circlearrowright,text{BUS},right|, a large and diverse benchmark of 1,333 English Rebus Puzzles containing different artistic styles and levels of difficulty, spread across 18 categories such as food, idioms, sports, finance, entertainment, etc. We also propose RebusDescProgICE, a model-agnostic framework which uses a combination of an unstructured description and code-based, structured reasoning, along with better, reasoning-based in-context example selection, improving the performance of Vision-Language Models on left|,circlearrowright,text{BUS},right| by 2.1-4.1% and 20-30% using closed-source and open-source models respectively compared to Chain-of-Thought Reasoning.

Large Language Models (LLMs) perform well in general QA but often struggle in domain-specific scenarios. Retrieval-Augmented Generation (RAG) introduces external knowledge but suffers from hallucinations and latency due to noisy retrievals. Continued pretraining internalizes domain knowledge but is costly and lacks cross-domain flexibility. We attribute this challenge to the long-tail distribution of domain knowledge, which leaves partial yet useful internal knowledge underutilized. We further argue that knowledge acquisition should be progressive, mirroring human learning: first understanding concepts, then applying them to complex reasoning. To address this, we propose Selct2Know (S2K), a cost-effective framework that internalizes domain knowledge through an internal-external knowledge self-selection strategy and selective supervised fine-tuning. We also introduce a structured reasoning data generation pipeline and integrate GRPO to enhance reasoning ability. Experiments on medical, legal, and financial QA benchmarks show that S2K consistently outperforms existing methods and matches domain-pretrained LLMs with significantly lower cost.

The field of natural language processing (NLP) has recently seen a large change towards using pre-trained language models for solving almost any task. Despite showing great improvements in benchmark datasets for various tasks, these models often perform sub-optimal in non-standard domains like the clinical domain where a large gap between pre-training documents and target documents is observed. In this paper, we aim at closing this gap with domain-specific training of the language model and we investigate its effect on a diverse set of downstream tasks and settings. We introduce the pre-trained CLIN-X (Clinical XLM-R) language models and show how CLIN-X outperforms other pre-trained transformer models by a large margin for ten clinical concept extraction tasks from two languages. In addition, we demonstrate how the transformer model can be further improved with our proposed task- and language-agnostic model architecture based on ensembles over random splits and cross-sentence context. Our studies in low-resource and transfer settings reveal stable model performance despite a lack of annotated data with improvements of up to 47 F1 points when only 250 labeled sentences are available. Our results highlight the importance of specialized language models as CLIN-X for concept extraction in non-standard domains, but also show that our task-agnostic model architecture is robust across the tested tasks and languages so that domain- or task-specific adaptations are not required.

Out-of-distribution (OOD) generalization is a favorable yet challenging property for deep neural networks. The core challenges lie in the limited availability of source domains that help models learn an invariant representation from the spurious features. Various domain augmentation have been proposed but largely rely on interpolating existing domains and frequently face difficulties in creating truly "novel" domains. Humans, on the other hand, can easily extrapolate novel domains, thus, an intriguing question arises: How can neural networks extrapolate like humans and achieve OOD generalization? We introduce a novel approach to domain extrapolation that leverages reasoning ability and the extensive knowledge encapsulated within large language models (LLMs) to synthesize entirely new domains. Starting with the class of interest, we query the LLMs to extract relevant knowledge for these novel domains. We then bridge the gap between the text-centric knowledge derived from LLMs and the pixel input space of the model using text-to-image generation techniques. By augmenting the training set of domain generalization datasets with high-fidelity, photo-realistic images of these new domains, we achieve significant improvements over all existing methods, as demonstrated in both single and multi-domain generalization across various benchmarks. With the ability to extrapolate any domains for any class, our method has the potential to learn a generalized model for any task without any data. To illustrate, we put forth a much more difficult setting termed, data-free domain generalization, that aims to learn a generalized model in the absence of any collected data. Our empirical findings support the above argument and our methods exhibit commendable performance in this setting, even surpassing the supervised setting by approximately 1-2\% on datasets such as VLCS.

The integration of knowledge extracted from diverse models, whether described by domain experts or generated by machine learning algorithms, has historically been challenged by the absence of a suitable framework for specifying and integrating structures, learning processes, data transformations, and data models or rules. In this work, we extend algebraic specification methods to address these challenges within such a framework. In our work, we tackle the challenging task of developing a comprehensive framework for defining and analyzing deep learning architectures. We believe that previous efforts have fallen short by failing to establish a clear connection between the constraints a model must adhere to and its actual implementation. Our methodology employs graphical structures that resemble Ehresmann's sketches, interpreted within a universe of fuzzy sets. This approach offers a unified theory that elegantly encompasses both deterministic and non-deterministic neural network designs. Furthermore, we highlight how this theory naturally incorporates fundamental concepts from computer science and automata theory. Our extended algebraic specification framework, grounded in graphical structures akin to Ehresmann's sketches, offers a promising solution for integrating knowledge across disparate models and domains. By bridging the gap between domain-specific expertise and machine-generated insights, we pave the way for more comprehensive, collaborative, and effective approaches to knowledge integration and modeling.

Large Language Models (LLMs) have shown remarkable capabilities through two complementary paradigms: Retrieval-Augmented Generation (RAG), which enhances knowledge grounding, and Reinforcement Learning from Verifiable Rewards (RLVR), which optimizes complex reasoning abilities. However, these two capabilities are often developed in isolation, and existing efforts to unify them remain narrow in scope-typically limited to open-domain QA with fixed retrieval settings and task-specific assumptions. This lack of integration constrains generalization and limits the applicability of RAG-RL methods to broader domains. To bridge this gap, we propose UR2 (Unified RAG and Reasoning), a general framework that unifies retrieval and reasoning through reinforcement learning. UR2 introduces two key contributions: a difficulty-aware curriculum training that selectively invokes retrieval only for challenging problems, and a hybrid knowledge access strategy combining domain-specific offline corpora with LLM-generated summaries. These components are designed to enable dynamic coordination between retrieval and reasoning, improving adaptability across a diverse range of tasks. Experiments across open-domain QA, MMLU-Pro, medical, and mathematical reasoning tasks demonstrate that UR2 (built on Qwen2.5-3/7B and LLaMA-3.1-8B) significantly outperforms existing RAG and RL methods, achieving comparable performance to GPT-4o-mini and GPT-4.1-mini on several benchmarks. We have released all code, models, and data at https://github.com/Tsinghua-dhy/UR2.

In this paper, we tackle the problem of domain shift. Most existing methods perform training on multiple source domains using a single model, and the same trained model is used on all unseen target domains. Such solutions are sub-optimal as each target domain exhibits its own specialty, which is not adapted. Furthermore, expecting single-model training to learn extensive knowledge from multiple source domains is counterintuitive. The model is more biased toward learning only domain-invariant features and may result in negative knowledge transfer. In this work, we propose a novel framework for unsupervised test-time adaptation, which is formulated as a knowledge distillation process to address domain shift. Specifically, we incorporate Mixture-of-Experts (MoE) as teachers, where each expert is separately trained on different source domains to maximize their specialty. Given a test-time target domain, a small set of unlabeled data is sampled to query the knowledge from MoE. As the source domains are correlated to the target domains, a transformer-based aggregator then combines the domain knowledge by examining the interconnection among them. The output is treated as a supervision signal to adapt a student prediction network toward the target domain. We further employ meta-learning to enforce the aggregator to distill positive knowledge and the student network to achieve fast adaptation. Extensive experiments demonstrate that the proposed method outperforms the state-of-the-art and validates the effectiveness of each proposed component. Our code is available at https://github.com/n3il666/Meta-DMoE.

Enterprise search systems often struggle to retrieve accurate, domain-specific information due to semantic mismatches and overlapping terminologies. These issues can degrade the performance of downstream applications such as knowledge management, customer support, and retrieval-augmented generation agents. To address this challenge, we propose a scalable hard-negative mining framework tailored specifically for domain-specific enterprise data. Our approach dynamically selects semantically challenging but contextually irrelevant documents to enhance deployed re-ranking models. Our method integrates diverse embedding models, performs dimensionality reduction, and uniquely selects hard negatives, ensuring computational efficiency and semantic precision. Evaluation on our proprietary enterprise corpus (cloud services domain) demonstrates substantial improvements of 15\% in MRR@3 and 19\% in MRR@10 compared to state-of-the-art baselines and other negative sampling techniques. Further validation on public domain-specific datasets (FiQA, Climate Fever, TechQA) confirms our method's generalizability and readiness for real-world applications.

Domain-specific intelligence demands specialized knowledge and sophisticated reasoning for problem-solving, posing significant challenges for large language models (LLMs) that struggle with knowledge hallucination and inadequate reasoning capabilities under constrained parameter budgets. Inspired by Bloom's Taxonomy in educational theory, we propose Retrieval-Augmented Reasoning Modeling (RARE), a novel paradigm that decouples knowledge storage from reasoning optimization. RARE externalizes domain knowledge to retrievable sources and internalizes domain-specific reasoning patterns during training. Specifically, by injecting retrieved knowledge into training prompts with masked losses, RARE transforms learning objectives from rote memorization to contextualized reasoning. It enables models to bypass parameter-intensive memorization and prioritize the development of higher-order cognitive processes. Extensive experiments demonstrate that lightweight RARE-trained models (e.g., Llama-3.1-8B) could achieve state-of-the-art performance, surpassing retrieval-augmented GPT-4 and DeepSeek-R1 up to approximately 20\% accuracy. RARE establishes a paradigm shift where maintainable external knowledge bases synergize with compact, reasoning-optimized models, collectively driving more scalable domain-specific intelligence.

Recently, there has been significant progress in studying neural networks for translating text descriptions into SQL queries under the zero-shot cross-domain setting. Despite achieving good performance on some public benchmarks, we observe that existing text-to-SQL models do not generalize when facing domain knowledge that does not frequently appear in the training data, which may render the worse prediction performance for unseen domains. In this work, we investigate the robustness of text-to-SQL models when the questions require rarely observed domain knowledge. In particular, we define five types of domain knowledge and introduce Spider-DK (DK is the abbreviation of domain knowledge), a human-curated dataset based on the Spider benchmark for text-to-SQL translation. NL questions in Spider-DK are selected from Spider, and we modify some samples by adding domain knowledge that reflects real-world question paraphrases. We demonstrate that the prediction accuracy dramatically drops on samples that require such domain knowledge, even if the domain knowledge appears in the training set, and the model provides the correct predictions for related training samples.

Recent proprietary large language models (LLMs), such as GPT-4, have achieved a milestone in tackling diverse challenges in the biomedical domain, ranging from multiple-choice questions to long-form generations. To address challenges that still cannot be handled with the encoded knowledge of LLMs, various retrieval-augmented generation (RAG) methods have been developed by searching documents from the knowledge corpus and appending them unconditionally or selectively to the input of LLMs for generation. However, when applying existing methods to different domain-specific problems, poor generalization becomes apparent, leading to fetching incorrect documents or making inaccurate judgments. In this paper, we introduce Self-BioRAG, a framework reliable for biomedical text that specializes in generating explanations, retrieving domain-specific documents, and self-reflecting generated responses. We utilize 84k filtered biomedical instruction sets to train Self-BioRAG that can assess its generated explanations with customized reflective tokens. Our work proves that domain-specific components, such as a retriever, domain-related document corpus, and instruction sets are necessary for adhering to domain-related instructions. Using three major medical question-answering benchmark datasets, experimental results of Self-BioRAG demonstrate significant performance gains by achieving a 7.2% absolute improvement on average over the state-of-the-art open-foundation model with a parameter size of 7B or less. Overall, we analyze that Self-BioRAG finds the clues in the question, retrieves relevant documents if needed, and understands how to answer with information from retrieved documents and encoded knowledge as a medical expert does. We release our data and code for training our framework components and model weights (7B and 13B) to enhance capabilities in biomedical and clinical domains.

Can machines truly think, reason and act in domains like humans? This enduring question continues to shape the pursuit of Artificial General Intelligence (AGI). Despite the growing capabilities of models such as GPT-4.5, DeepSeek, Claude 3.5 Sonnet, Phi-4, and Grok 3, which exhibit multimodal fluency and partial reasoning, these systems remain fundamentally limited by their reliance on token-level prediction and lack of grounded agency. This paper offers a cross-disciplinary synthesis of AGI development, spanning artificial intelligence, cognitive neuroscience, psychology, generative models, and agent-based systems. We analyze the architectural and cognitive foundations of general intelligence, highlighting the role of modular reasoning, persistent memory, and multi-agent coordination. In particular, we emphasize the rise of Agentic RAG frameworks that combine retrieval, planning, and dynamic tool use to enable more adaptive behavior. We discuss generalization strategies, including information compression, test-time adaptation, and training-free methods, as critical pathways toward flexible, domain-agnostic intelligence. Vision-Language Models (VLMs) are reexamined not just as perception modules but as evolving interfaces for embodied understanding and collaborative task completion. We also argue that true intelligence arises not from scale alone but from the integration of memory and reasoning: an orchestration of modular, interactive, and self-improving components where compression enables adaptive behavior. Drawing on advances in neurosymbolic systems, reinforcement learning, and cognitive scaffolding, we explore how recent architectures begin to bridge the gap between statistical learning and goal-directed cognition. Finally, we identify key scientific, technical, and ethical challenges on the path to AGI.

We present a comprehensive system for addressing Tasks A, B, and C of the LLMs4OL 2025 challenge, which together span the full ontology construction pipeline: term extraction, typing, and taxonomy discovery. Our approach combines retrieval-augmented prompting, zero-shot classification, and attention-based graph modeling -- each tailored to the demands of the respective task. For Task A, we jointly extract domain-specific terms and their ontological types using a retrieval-augmented generation (RAG) pipeline. Training data was reformulated into a document to terms and types correspondence, while test-time inference leverages semantically similar training examples. This single-pass method requires no model finetuning and improves overall performance through lexical augmentation Task B, which involves assigning types to given terms, is handled via a dual strategy. In the few-shot setting (for domains with labeled training data), we reuse the RAG scheme with few-shot prompting. In the zero-shot setting (for previously unseen domains), we use a zero-shot classifier that combines cosine similarity scores from multiple embedding models using confidence-based weighting. In Task C, we model taxonomy discovery as graph inference. Using embeddings of type labels, we train a lightweight cross-attention layer to predict is-a relations by approximating a soft adjacency matrix. These modular, task-specific solutions enabled us to achieve top-ranking results in the official leaderboard across all three tasks. Taken together these strategies showcase the scalability, adaptability, and robustness of LLM-based architectures for ontology learning across heterogeneous domains. Code is available at: https://github.com/BelyaevaAlex/LLMs4OL-Challenge-Alexbek

The impressive performance of ChatGPT and other foundation-model-based products in human language understanding has prompted both academia and industry to explore how these models can be tailored for specific industries and application scenarios. This process, known as the customization of domain-specific foundation models (FMs), addresses the limitations of general-purpose models, which may not fully capture the unique patterns and requirements of domain-specific data. Despite its importance, there is a notable lack of comprehensive overview papers on building domain-specific FMs, while numerous resources exist for general-purpose models. To bridge this gap, this article provides a timely and thorough overview of the methodology for customizing domain-specific FMs. It introduces basic concepts, outlines the general architecture, and surveys key methods for constructing domain-specific models. Furthermore, the article discusses various domains that can benefit from these specialized models and highlights the challenges ahead. Through this overview, we aim to offer valuable guidance and reference for researchers and practitioners from diverse fields to develop their own customized FMs.

The rapid advancement of large language models (LLMs) such as GPT-3, PaLM, and Llama has significantly transformed natural language processing, showcasing remarkable capabilities in understanding and generating language. However, these models often struggle with tasks requiring complex reasoning, particularly in mathematical problem-solving, due in part to the scarcity of large-scale, high-quality, domain-specific datasets necessary for training sophisticated reasoning abilities. To address this limitation, we introduce Template-based Data Generation (TDG), a novel approach that leverages LLMs (GPT-4) to automatically generate parameterized meta-templates, which are then used to synthesize a vast array of high-quality problems and solutions. Leveraging TDG, we create TemplateMath Part I: TemplateGSM, a dataset comprising over 7 million synthetically generated grade school math problems--each accompanied by code-based and natural language solutions--with the potential to generate an effectively unlimited number more. This dataset alleviates the scarcity of large-scale mathematical datasets and serves as a valuable resource for pre-training, fine-tuning, and evaluating LLMs in mathematical reasoning. Our method not only enables the generation of virtually infinite data but also elevates data augmentation to a new level by using GPT-4 for meta-template generation, ensuring diverse and high-quality problem structures. The TemplateMath Part I: TemplateGSM dataset is publicly available at https://huggingface.co/datasets/math-ai/TemplateGSM. The code is available at https://github.com/iiis-ai/TemplateMath.

Recent breakthroughs in large language models (LLMs), particularly in reasoning capabilities, have propelled Retrieval-Augmented Generation (RAG) to unprecedented levels. By synergizing retrieval mechanisms with advanced reasoning, LLMs can now tackle increasingly complex problems. This paper presents a systematic review of the collaborative interplay between RAG and reasoning, clearly defining "reasoning" within the RAG context. It construct a comprehensive taxonomy encompassing multi-dimensional collaborative objectives, representative paradigms, and technical implementations, and analyze the bidirectional synergy methods. Additionally, we critically evaluate current limitations in RAG assessment, including the absence of intermediate supervision for multi-step reasoning and practical challenges related to cost-risk trade-offs. To bridge theory and practice, we provide practical guidelines tailored to diverse real-world applications. Finally, we identify promising research directions, such as graph-based knowledge integration, hybrid model collaboration, and RL-driven optimization. Overall, this work presents a theoretical framework and practical foundation to advance RAG systems in academia and industry, fostering the next generation of RAG solutions.

We present a Japanese domain-specific language model for the pharmaceutical field, developed through continual pretraining on 2 billion Japanese pharmaceutical tokens and 8 billion English biomedical tokens. To enable rigorous evaluation, we introduce three new benchmarks: YakugakuQA, based on national pharmacist licensing exams; NayoseQA, which tests cross-lingual synonym and terminology normalization; and SogoCheck, a novel task designed to assess consistency reasoning between paired statements. We evaluate our model against both open-source medical LLMs and commercial models, including GPT-4o. Results show that our domain-specific model outperforms existing open models and achieves competitive performance with commercial ones, particularly on terminology-heavy and knowledge-based tasks. Interestingly, even GPT-4o performs poorly on SogoCheck, suggesting that cross-sentence consistency reasoning remains an open challenge. Our benchmark suite offers a broader diagnostic lens for pharmaceutical NLP, covering factual recall, lexical variation, and logical consistency. This work demonstrates the feasibility of building practical, secure, and cost-effective language models for Japanese domain-specific applications, and provides reusable evaluation resources for future research in pharmaceutical and healthcare NLP. Our model, codes, and datasets are released at https://github.com/EQUES-Inc/pharma-LLM-eval.

Large Language Models (LLMs) have demonstrated remarkable success in various tasks such as natural language understanding, text summarization, and machine translation. However, their general-purpose nature often limits their effectiveness in domain-specific applications that require specialized knowledge, such as healthcare, chemistry, or legal analysis. To address this, researchers have explored diverse methods to enhance LLMs by integrating domain-specific knowledge. In this survey, we provide a comprehensive overview of these methods, which we categorize into four key approaches: dynamic knowledge injection, static knowledge embedding, modular adapters, and prompt optimization. Each approach offers unique mechanisms to equip LLMs with domain expertise, balancing trade-offs between flexibility, scalability, and efficiency. We discuss how these methods enable LLMs to tackle specialized tasks, compare their advantages and disadvantages, evaluate domain-specific LLMs against general LLMs, and highlight the challenges and opportunities in this emerging field. For those interested in delving deeper into this area, we also summarize the commonly used datasets and benchmarks. To keep researchers updated on the latest studies, we maintain an open-source at: https://github.com/abilliyb/Knowledge_Injection_Survey_Papers, dedicated to documenting research in the field of specialized LLM.

Knowledge Graph-to-Text (G2T) generation involves verbalizing structured knowledge graphs into natural language text. Recent advancements in Pretrained Language Models (PLMs) have improved G2T performance, but their effectiveness depends on datasets with precise graph-text alignment. However, the scarcity of high-quality, general-domain G2T generation datasets restricts progress in the general-domain G2T generation research. To address this issue, we introduce Wikipedia Ontology-Free Graph-text dataset (WikiOFGraph), a new large-scale G2T dataset generated using a novel method that leverages Large Language Model (LLM) and Data-QuestEval. Our new dataset, which contains 5.85M general-domain graph-text pairs, offers high graph-text consistency without relying on external ontologies. Experimental results demonstrate that PLM fine-tuned on WikiOFGraph outperforms those trained on other datasets across various evaluation metrics. Our method proves to be a scalable and effective solution for generating high-quality G2T data, significantly advancing the field of G2T generation.

Recent proprietary models (e.g., o3) have begun to demonstrate strong multimodal reasoning capabilities. Yet, most existing open-source research concentrates on training text-only reasoning models, with evaluations limited to mainly mathematical and general-domain tasks. Therefore, it remains unclear how to effectively extend reasoning capabilities beyond text input and general domains. This paper explores a fundamental research question: Is reasoning generalizable across modalities and domains? Our findings support an affirmative answer: General-domain text-based post-training can enable such strong generalizable reasoning. Leveraging this finding, we introduce X-Reasoner, a vision-language model post-trained solely on general-domain text for generalizable reasoning, using a two-stage approach: an initial supervised fine-tuning phase with distilled long chain-of-thoughts, followed by reinforcement learning with verifiable rewards. Experiments show that X-Reasoner successfully transfers reasoning capabilities to both multimodal and out-of-domain settings, outperforming existing state-of-the-art models trained with in-domain and multimodal data across various general and medical benchmarks (Figure 1). Additionally, we find that X-Reasoner's performance in specialized domains can be further enhanced through continued training on domain-specific text-only data. Building upon this, we introduce X-Reasoner-Med, a medical-specialized variant that achieves new state of the art on numerous text-only and multimodal medical benchmarks.

Despite outstanding processes in many tasks, Large Language Models (LLMs) still lack accuracy when dealing with highly technical domains. Especially, telecommunications (telco) is a particularly challenging domain due the large amount of lexical, semantic and conceptual peculiarities. Yet, this domain holds many valuable use cases, directly linked to industrial needs. Hence, this paper studies how LLMs can be adapted to the telco domain. It reports our effort to (i) collect a massive corpus of domain-specific data (800M tokens, 80K instructions), (ii) perform adaptation using various methodologies, and (iii) benchmark them against larger generalist models in downstream tasks that require extensive knowledge of telecommunications. Our experiments on Llama-2-7b show that domain-adapted models can challenge the large generalist models. They also suggest that adaptation can be restricted to a unique instruction-tuning step, dicarding the need for any fine-tuning on raw texts beforehand.

Despite the remarkable performance that modern deep neural networks have achieved on independent and identically distributed (I.I.D.) data, they can crash under distribution shifts. Most current evaluation methods for domain generalization (DG) adopt the leave-one-out strategy as a compromise on the limited number of domains. We propose a large-scale benchmark with extensive labeled domains named NICO++ along with more rational evaluation methods for comprehensively evaluating DG algorithms. To evaluate DG datasets, we propose two metrics to quantify covariate shift and concept shift, respectively. Two novel generalization bounds from the perspective of data construction are proposed to prove that limited concept shift and significant covariate shift favor the evaluation capability for generalization. Through extensive experiments, NICO++ shows its superior evaluation capability compared with current DG datasets and its contribution in alleviating unfairness caused by the leak of oracle knowledge in model selection.

While inference-time scaling enables LLMs to carry out increasingly long and capable reasoning traces, the patterns and insights uncovered during these traces are immediately discarded once the context window is reset for a new query. External memory is a natural way to persist these discoveries, and recent work has shown clear benefits for reasoning-intensive tasks. We see an opportunity to make such memories more broadly reusable and scalable by moving beyond instance-based memory entries (e.g. exact query/response pairs, or summaries tightly coupled with the original problem context) toward concept-level memory: reusable, modular abstractions distilled from solution traces and stored in natural language. For future queries, relevant concepts are selectively retrieved and integrated into the prompt, enabling test-time continual learning without weight updates. Our design introduces new strategies for abstracting takeaways from rollouts and retrieving entries for new queries, promoting reuse and allowing memory to expand with additional experiences. We evaluate on ARC-AGI, a benchmark that stresses compositional generalization and abstract reasoning, making it a natural fit for concept memory. Our method yields a 7.5% relative gain over a strong no-memory baseline with performance continuing to scale with inference compute. We find abstract concepts to be the most consistent memory design, outscoring the baseline at all tested inference compute scales. Moreover, dynamically updating memory during test-time outperforms fixed settings, supporting the hypothesis that accumulating and abstracting patterns enables further solutions in a form of self-improvement. Code is available at https://github.com/matt-seb-ho/arc_memo.

Unsupervised domain adaptation leverages abundant labeled data from various source domains to generalize onto unlabeled target data. Prior research has primarily focused on learning domain-invariant features across the source and target domains. However, these methods often require training a model using source domain data, which is time-consuming and can limit model usage for applications with different source data. This paper introduces a simple framework that utilizes the impressive generalization capabilities of Large Language Models (LLMs) for target data annotation without the need of source model training, followed by a novel similarity-based knowledge distillation loss. Our extensive experiments on cross-domain text classification reveal that our framework achieves impressive performance, specifically, 2.44\% accuracy improvement when compared to the SOTA method.

Probabilistic models of language understanding are valuable tools for investigating human language use. However, they need to be hand-designed for a particular domain. In contrast, large language models (LLMs) are trained on text that spans a wide array of domains, but they lack the structure and interpretability of probabilistic models. In this paper, we use chain-of-thought prompts to introduce structures from probabilistic models into LLMs. We explore this approach in the case of metaphor understanding. Our chain-of-thought prompts lead language models to infer latent variables and reason about their relationships in order to choose appropriate paraphrases for metaphors. The latent variables and relationships chosen are informed by theories of metaphor understanding from cognitive psychology. We apply these prompts to the two largest versions of GPT-3 and show that they can improve performance in a paraphrase selection task.

Logical reasoning remains a challenge for natural language processing, but it can be improved by training language models to mimic theorem provers on procedurally generated problems. Previous work used domain-specific proof generation algorithms, which biases reasoning toward specific proof traces and limits auditability and extensibility. We present a simpler and more general declarative framework with flexible context-sensitive rules binding multiple languages (specifically, simplified English and the TPTP theorem-proving language). We construct first-order logic problems by selecting up to 32 premises and one hypothesis. We demonstrate that using semantic constraints during generation and careful English verbalization of predicates enhances logical reasoning without hurting natural English tasks. We use relatively small DeBERTa-v3 models to achieve state-of-the-art accuracy on the FOLIO human-authored logic dataset, surpassing GPT-4 in accuracy with or without an external solver by 12%.

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

Existing domain-specific Large Language Models (LLMs) are typically developed by fine-tuning general-purposed LLMs with large-scale domain-specific corpora. However, training on large-scale corpora often fails to effectively organize domain knowledge of LLMs, leading to fragmented understanding. Inspired by how humans connect concepts and organize knowledge through mind maps, we aim to emulate this approach by using ontology with hierarchical conceptual knowledge to reorganize LLM's domain knowledge. From this perspective, we propose an ontology-driven self-training framework called OntoTune, which aims to align LLMs with ontology through in-context learning, enabling the generation of responses guided by the ontology. We leverage in-context learning to identify whether the LLM has acquired the specific concept's ontology knowledge, and select the entries not yet mastered by LLM as the training set to further align the LLM with ontology. Compared to existing domain LLMs based on newly collected large-scale domain-specific corpora, our OntoTune, which relies on the existing, long-term developed ontology and LLM itself, significantly reduces data maintenance costs and offers improved generalization ability. We conduct our study in the medical domain to evaluate the effectiveness of OntoTune, utilizing a standardized medical ontology, SNOMED CT as our ontology source. Experimental results demonstrate that OntoTune achieves state-of-the-art performance in both in-ontology task hypernym discovery and out-of-ontology task medical domain QA. Moreover, compared to the latest direct ontology injection method TaxoLLaMA, our OntoTune better preserves original knowledge of LLM. The code and data are available at https://github.com/zjukg/OntoTune.

The synergy between symbolic knowledge, often represented by Knowledge Graphs (KGs), and the generative capabilities of neural networks is central to advancing neurosymbolic AI. A primary bottleneck in realizing this potential is the difficulty of automating KG construction, which faces challenges related to output reliability, consistency, and verifiability. These issues can manifest as structural inconsistencies within the generated graphs, such as the formation of disconnected isolated islands of data or the inaccurate conflation of abstract classes with specific instances. To address these challenges, we propose HyDRA, a Hybrid-Driven Reasoning Architecture designed for verifiable KG automation. Given a domain or an initial set of documents, HyDRA first constructs an ontology via a panel of collaborative neurosymbolic agents. These agents collaboratively agree on a set of competency questions (CQs) that define the scope and requirements the ontology must be able to answer. Given these CQs, we build an ontology graph that subsequently guides the automated extraction of triplets for KG generation from arbitrary documents. Inspired by design-by-contracts (DbC) principles, our method leverages verifiable contracts as the primary control mechanism to steer the generative process of Large Language Models (LLMs). To verify the output of our approach, we extend beyond standard benchmarks and propose an evaluation framework that assesses the functional correctness of the resulting KG by leveraging symbolic verifications as described by the neurosymbolic AI framework, SymbolicAI. This work contributes a hybrid-driven architecture for improving the reliability of automated KG construction and the exploration of evaluation methods for measuring the functional integrity of its output. The code is publicly available.

Artificial Intelligence (AI) has made incredible progress recently. On the one hand, advanced foundation models like ChatGPT can offer powerful conversation, in-context learning and code generation abilities on a broad range of open-domain tasks. They can also generate high-level solution outlines for domain-specific tasks based on the common sense knowledge they have acquired. However, they still face difficulties with some specialized tasks because they lack enough domain-specific data during pre-training or they often have errors in their neural network computations on those tasks that need accurate executions. On the other hand, there are also many existing models and systems (symbolic-based or neural-based) that can do some domain-specific tasks very well. However, due to the different implementation or working mechanisms, they are not easily accessible or compatible with foundation models. Therefore, there is a clear and pressing need for a mechanism that can leverage foundation models to propose task solution outlines and then automatically match some of the sub-tasks in the outlines to the off-the-shelf models and systems with special functionalities to complete them. Inspired by this, we introduce TaskMatrix.AI as a new AI ecosystem that connects foundation models with millions of APIs for task completion. Unlike most previous work that aimed to improve a single AI model, TaskMatrix.AI focuses more on using existing foundation models (as a brain-like central system) and APIs of other AI models and systems (as sub-task solvers) to achieve diversified tasks in both digital and physical domains. As a position paper, we will present our vision of how to build such an ecosystem, explain each key component, and use study cases to illustrate both the feasibility of this vision and the main challenges we need to address next.

Recent advancements in large language models (LLMs) have substantially enhanced their mathematical reasoning abilities. However, these models still struggle with complex problems that require multiple reasoning steps, frequently leading to logical or numerical errors. While numerical mistakes can be largely addressed by integrating a code interpreter, identifying logical errors within intermediate steps is more challenging. Moreover, manually annotating these steps for training is not only expensive but also labor-intensive, requiring the expertise of professional annotators. In our study, we introduce an innovative approach that bypasses the need for process annotations (from human or GPTs) by utilizing the Monte Carlo Tree Search (MCTS) framework. This technique automatically generates both the process supervision and the step-level evaluation signals. Our method iteratively trains the policy and value models, leveraging the capabilities of a well-pretrained LLM to progressively enhance its mathematical reasoning skills. Furthermore, we propose an efficient inference strategy-step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods.

Domain-general semantic parsing is a long-standing goal in natural language processing, where the semantic parser is capable of robustly parsing sentences from domains outside of which it was trained. Current approaches largely rely on additional supervision from new domains in order to generalize to those domains. We present a generative model of natural language utterances and logical forms and demonstrate its application to semantic parsing. Our approach relies on domain-independent supervision to generalize to new domains. We derive and implement efficient algorithms for training, parsing, and sentence generation. The work relies on a novel application of hierarchical Dirichlet processes (HDPs) for structured prediction, which we also present in this manuscript. This manuscript is an excerpt of chapter 4 from the Ph.D. thesis of Saparov (2022), where the model plays a central role in a larger natural language understanding system. This manuscript provides a new simplified and more complete presentation of the work first introduced in Saparov, Saraswat, and Mitchell (2017). The description and proofs of correctness of the training algorithm, parsing algorithm, and sentence generation algorithm are much simplified in this new presentation. We also describe the novel application of hierarchical Dirichlet processes for structured prediction. In addition, we extend the earlier work with a new model of word morphology, which utilizes the comprehensive morphological data from Wiktionary.

Retrieval-Augmented Generation (RAG) plays a crucial role in grounding Large Language Models by leveraging external knowledge, whereas the effectiveness is often compromised by the retrieval of contextually flawed or incomplete information. To address this, knowledge graph-based RAG methods have evolved towards hierarchical structures, organizing knowledge into multi-level summaries. However, these approaches still suffer from two critical, unaddressed challenges: high-level conceptual summaries exist as disconnected ``semantic islands'', lacking the explicit relations needed for cross-community reasoning; and the retrieval process itself remains structurally unaware, often degenerating into an inefficient flat search that fails to exploit the graph's rich topology. To overcome these limitations, we introduce LeanRAG, a framework that features a deeply collaborative design combining knowledge aggregation and retrieval strategies. LeanRAG first employs a novel semantic aggregation algorithm that forms entity clusters and constructs new explicit relations among aggregation-level summaries, creating a fully navigable semantic network. Then, a bottom-up, structure-guided retrieval strategy anchors queries to the most relevant fine-grained entities and then systematically traverses the graph's semantic pathways to gather concise yet contextually comprehensive evidence sets. The LeanRAG can mitigate the substantial overhead associated with path retrieval on graphs and minimizes redundant information retrieval. Extensive experiments on four challenging QA benchmarks with different domains demonstrate that LeanRAG significantly outperforming existing methods in response quality while reducing 46\% retrieval redundancy. Code is available at: https://github.com/RaZzzyz/LeanRAG

Integer sequences are of central importance to the modeling of concepts admitting complete finitary descriptions. We introduce a novel view on the learning of such concepts and lay down a set of benchmarking tasks aimed at conceptual understanding by machine learning models. These tasks indirectly assess model ability to abstract, and challenge them to reason both interpolatively and extrapolatively from the knowledge gained by observing representative examples. To further aid research in knowledge representation and reasoning, we present FACT, the Finitary Abstraction Comprehension Toolkit. The toolkit surrounds a large dataset of integer sequences comprising both organic and synthetic entries, a library for data pre-processing and generation, a set of model performance evaluation tools, and a collection of baseline model implementations, enabling the making of the future advancements with ease.

Accurately identifying adversarial techniques in security texts is critical for effective cyber defense. However, existing methods face a fundamental trade-off: they either rely on generic models with limited domain precision or require resource-intensive pipelines that depend on large labeled datasets and task-specific optimizations, such as custom hard-negative mining and denoising, resources rarely available in specialized domains. We propose TechniqueRAG, a domain-specific retrieval-augmented generation (RAG) framework that bridges this gap by integrating off-the-shelf retrievers, instruction-tuned LLMs, and minimal text-technique pairs. Our approach addresses data scarcity by fine-tuning only the generation component on limited in-domain examples, circumventing the need for resource-intensive retrieval training. While conventional RAG mitigates hallucination by coupling retrieval and generation, its reliance on generic retrievers often introduces noisy candidates, limiting domain-specific precision. To address this, we enhance retrieval quality and domain specificity through zero-shot LLM re-ranking, which explicitly aligns retrieved candidates with adversarial techniques. Experiments on multiple security benchmarks demonstrate that TechniqueRAG achieves state-of-the-art performance without extensive task-specific optimizations or labeled data, while comprehensive analysis provides further insights.

In this paper we introduce the olog, or ontology log, a category-theoretic model for knowledge representation (KR). Grounded in formal mathematics, ologs can be rigorously formulated and cross-compared in ways that other KR models (such as semantic networks) cannot. An olog is similar to a relational database schema; in fact an olog can serve as a data repository if desired. Unlike database schemas, which are generally difficult to create or modify, ologs are designed to be user-friendly enough that authoring or reconfiguring an olog is a matter of course rather than a difficult chore. It is hoped that learning to author ologs is much simpler than learning a database definition language, despite their similarity. We describe ologs carefully and illustrate with many examples. As an application we show that any primitive recursive function can be described by an olog. We also show that ologs can be aligned or connected together into a larger network using functors. The various methods of information flow and institutions can then be used to integrate local and global world-views. We finish by providing several different avenues for future research.

Recent advancements in large language models have showcased their remarkable generalizability across various domains. However, their reasoning abilities still have significant room for improvement, especially when confronted with scenarios requiring multi-step reasoning. Although large language models possess extensive knowledge, their behavior, particularly in terms of reasoning, often fails to effectively utilize this knowledge to establish a coherent thinking paradigm. Generative language models sometimes show hallucinations as their reasoning procedures are unconstrained by logical principles. Aiming to improve the zero-shot chain-of-thought reasoning ability of large language models, we propose Logical Chain-of-Thought (LogiCoT), a neurosymbolic framework that leverages principles from symbolic logic to verify and revise the reasoning processes accordingly. Experimental evaluations conducted on language tasks in diverse domains, including arithmetic, commonsense, symbolic, causal inference, and social problems, demonstrate the efficacy of the enhanced reasoning paradigm by logic.

Single domain generalization aims to learn a model from a single training domain (source domain) and apply it to multiple unseen test domains (target domains). Existing methods focus on expanding the distribution of the training domain to cover the target domains, but without estimating the domain shift between the source and target domains. In this paper, we propose a new learning paradigm, namely simulate-analyze-reduce, which first simulates the domain shift by building an auxiliary domain as the target domain, then learns to analyze the causes of domain shift, and finally learns to reduce the domain shift for model adaptation. Under this paradigm, we propose a meta-causal learning method to learn meta-knowledge, that is, how to infer the causes of domain shift between the auxiliary and source domains during training. We use the meta-knowledge to analyze the shift between the target and source domains during testing. Specifically, we perform multiple transformations on source data to generate the auxiliary domain, perform counterfactual inference to learn to discover the causal factors of the shift between the auxiliary and source domains, and incorporate the inferred causality into factor-aware domain alignments. Extensive experiments on several benchmarks of image classification show the effectiveness of our method.

Due to domain shift, machine learning systems typically fail to generalize well to domains different from those of training data, which is what domain generalization (DG) aims to address. Although various DG methods have been developed, most of them lack interpretability and require domain labels that are not available in many real-world scenarios. This paper presents a novel DG method, called HMOE: Hypernetwork-based Mixture of Experts (MoE), which does not rely on domain labels and is more interpretable. MoE proves effective in identifying heterogeneous patterns in data. For the DG problem, heterogeneity arises exactly from domain shift. HMOE uses hypernetworks taking vectors as input to generate experts' weights, which allows experts to share useful meta-knowledge and enables exploring experts' similarities in a low-dimensional vector space. We compare HMOE with other DG algorithms under a fair and unified benchmark-DomainBed. Our extensive experiments show that HMOE can divide mixed-domain data into distinct clusters that are surprisingly more consistent with human intuition than original domain labels. Compared to other DG methods, HMOE shows competitive performance and achieves SOTA results in some cases.

Reviewing the progress in artificial intelligence over the past decade, various significant advances (e.g. object detection, image generation, large language models) have enabled AI systems to produce more semantically meaningful outputs and achieve widespread adoption in internet scenarios. Nevertheless, AI systems still struggle when it comes to understanding and interacting with the physical world. This reveals an important issue: relying solely on semantic-level concepts learned from internet data (e.g. texts, images) to understand the physical world is far from sufficient -- machine intelligence currently lacks an effective way to learn about the physical world. This research introduces the idea of analytic concept -- representing the concepts related to the physical world through programs of mathematical procedures, providing machine intelligence a portal to perceive, reason about, and interact with the physical world. Except for detailing the design philosophy and providing guidelines for the application of analytic concepts, this research also introduce about the infrastructure that has been built around analytic concepts. I aim for my research to contribute to addressing these questions: What is a proper abstraction of general concepts in the physical world for machine intelligence? How to systematically integrate structured priors with neural networks to constrain AI systems to comply with physical laws?

Ontologies and taxonomies of research fields are critical for managing and organising scientific knowledge, as they facilitate efficient classification, dissemination and retrieval of information. However, the creation and maintenance of such ontologies are expensive and time-consuming tasks, usually requiring the coordinated effort of multiple domain experts. Consequently, ontologies in this space often exhibit uneven coverage across different disciplines, limited inter-domain connectivity, and infrequent updating cycles. In this study, we investigate the capability of several large language models to identify semantic relationships among research topics within three academic domains: biomedicine, physics, and engineering. The models were evaluated under three distinct conditions: zero-shot prompting, chain-of-thought prompting, and fine-tuning on existing ontologies. Additionally, we assessed the cross-domain transferability of fine-tuned models by measuring their performance when trained in one domain and subsequently applied to a different one. To support this analysis, we introduce PEM-Rel-8K, a novel dataset consisting of over 8,000 relationships extracted from the most widely adopted taxonomies in the three disciplines considered in this study: MeSH, PhySH, and IEEE. Our experiments demonstrate that fine-tuning LLMs on PEM-Rel-8K yields excellent performance across all disciplines.

Knowledge graphs (KGs) have been successfully applied to the analysis of complex scientific and technological domains, with automatic KG generation methods typically building upon relation extraction models capturing fine-grained relations between domain entities in text. While these relations are fully applicable across scientific areas, existing models are trained on few domain-specific datasets such as SciERC and do not perform well on new target domains. In this paper, we experiment with leveraging in-context learning capabilities of Large Language Models to perform schema-constrained data annotation, collecting in-domain training instances for a Transformer-based relation extraction model deployed on titles and abstracts of research papers in the Architecture, Construction, Engineering and Operations (AECO) domain. By assessing the performance gain with respect to a baseline Deep Learning architecture trained on off-domain data, we show that by using a few-shot learning strategy with structured prompts and only minimal expert annotation the presented approach can potentially support domain adaptation of a science KG generation model.

With the web getting bigger and assimilating knowledge about different concepts and domains, it is becoming very difficult for simple database driven applications to capture the data for a domain. Thus developers have come out with ontology based systems which can store large amount of information and can apply reasoning and produce timely information. Thus facilitating effective knowledge management. Though this approach has made our lives easier, but at the same time has given rise to another problem. Two different ontologies assimilating same knowledge tend to use different terms for the same concepts. This creates confusion among knowledge engineers and workers, as they do not know which is a better term then the other. Thus we need to merge ontologies working on same domain so that the engineers can develop a better application over it. This paper shows the development of one such matcher which merges the concepts available in two ontologies at two levels; 1) at string level and 2) at semantic level; thus producing better merged ontologies. We have used a graph matching technique which works at the core of the system. We have also evaluated the system and have tested its performance with its predecessor which works only on string matching. Thus current approach produces better results.

Human intelligence excels at combining basic skills to solve complex tasks. This capability is vital for Artificial Intelligence (AI) and should be embedded in comprehensive intelligent models, enabling them to harness expert models for complex task-solving towards Artificial General Intelligence (AGI). Large Language Models (LLMs) show promising learning and reasoning abilities, and can effectively use external models, tools or APIs to tackle complex problems. In this work, we introduce OpenAGI, an open-source AGI research platform designed for multi-step, real-world tasks. Specifically, OpenAGI uses a dual strategy, integrating standard benchmark tasks for benchmarking and evaluation, and open-ended tasks including more expandable models, tools or APIs for creative problem-solving. Tasks are presented as natural language queries to the LLM, which then selects and executes appropriate models. We also propose a Reinforcement Learning from Task Feedback (RLTF) mechanism that uses task results to improve the LLM's ability, which creates a self-improving AI feedback loop. While we acknowledge that AGI is a broad and multifaceted research challenge with no singularly defined solution path, the integration of LLMs with domain-specific expert models, inspired by mirroring the blend of general and specialized intelligence in humans, offers a promising approach towards AGI. We are open-sourcing the OpenAGI project's code, dataset, benchmarks, evaluation methods, and demo to foster community involvement in AGI advancement: https://github.com/agiresearch/OpenAGI.

Large Language Models (LLMs) have shown promise in highly-specialized domains, however challenges are still present in aspects of accuracy and costs. These limitations restrict the usage of existing models in domain-specific tasks. While fine-tuning pre-trained models have shown promising results, this process can be computationally expensive and require massive datasets of the specialized application in hand. In this work, we bridge that gap. We have developed Phi-2-Legal and Mistral-Legal-7B, which are language models specifically designed for legal applications. These models are based on Phi-2 and Mistral-7B-v0.1, and have gone through continued pre-training with over 500 million tokens of legal texts. Our innovative approach significantly improves capabilities in legal tasks by using Large Language Models (LLMs) to convert raw training data into reading comprehension text. Our legal LLMs have demonstrated superior performance in legal benchmarks, even outperforming models trained on much larger datasets with more resources. This work emphasizes the effectiveness of continued pre-training on domain-specific texts, while using affordable LLMs for data conversion, which gives these models domain expertise while retaining general language understanding capabilities. While this work uses the legal domain as a test case, our method can be scaled and applied to any pre-training dataset, resulting in significant improvements across different tasks. These findings underscore the potential of domain-adaptive pre-training and reading comprehension for the development of highly effective domain-specific language models.

Hypothesis ranking is a crucial component of automated scientific discovery, particularly in natural sciences where wet-lab experiments are costly and throughput-limited. Existing approaches focus on pre-experiment ranking, relying solely on large language model's internal reasoning without incorporating empirical outcomes from experiments. We introduce the task of experiment-guided ranking, which aims to prioritize candidate hypotheses based on the results of previously tested ones. However, developing such strategies is challenging due to the impracticality of repeatedly conducting real experiments in natural science domains. To address this, we propose a simulator grounded in three domain-informed assumptions, modeling hypothesis performance as a function of similarity to a known ground truth hypothesis, perturbed by noise. We curate a dataset of 124 chemistry hypotheses with experimentally reported outcomes to validate the simulator. Building on this simulator, we develop a pseudo experiment-guided ranking method that clusters hypotheses by shared functional characteristics and prioritizes candidates based on insights derived from simulated experimental feedback. Experiments show that our method outperforms pre-experiment baselines and strong ablations.

We present a scientific reasoning foundation model that aligns natural language with heterogeneous scientific representations. The model is pretrained on a 206B-token corpus spanning scientific text, pure sequences, and sequence-text pairs, then aligned via SFT on 40M instructions, annealed cold-start bootstrapping to elicit long-form chain-of-thought, and reinforcement learning with task-specific reward shaping, which instills deliberate scientific reasoning. It supports four capability families, covering up to 103 tasks across workflows: (i) faithful translation between text and scientific formats, (ii) text/knowledge extraction, (iii) property prediction, (iv) property classification, (v) unconditional and conditional sequence generation and design. Compared with specialist systems, our approach broadens instruction coverage, improves cross-domain generalization, and enhances fidelity. We detail data curation and training and show that cross-discipline learning strengthens transfer and downstream reliability. The model, instruct tuning datasets and the evaluation code are open-sourced at https://huggingface.co/SciReason and https://github.com/open-sciencelab/SciReason.

In Information Retrieval, and more generally in Natural Language Processing, adapting models to specific domains is conducted through fine-tuning. Despite the successes achieved by this method and its versatility, the need for human-curated and labeled data makes it impractical to transfer to new tasks, domains, and/or languages when training data doesn't exist. Using the model without training (zero-shot) is another option that however suffers an effectiveness cost, especially in the case of first-stage retrievers. Numerous research directions have emerged to tackle these issues, most of them in the context of adapting to a task or a language. However, the literature is scarcer for domain (or topic) adaptation. In this paper, we address this issue of cross-topic discrepancy for a sparse first-stage retriever by transposing a method initially designed for language adaptation. By leveraging pre-training on the target data to learn domain-specific knowledge, this technique alleviates the need for annotated data and expands the scope of domain adaptation. Despite their relatively good generalization ability, we show that even sparse retrievers can benefit from our simple domain adaptation method.

Developing domain models is one of the few remaining places that require manual human labor in AI planning. Thus, in order to make planning more accessible, it is desirable to automate the process of domain model generation. To this end, we investigate if large language models (LLMs) can be used to generate planning domain models from simple textual descriptions. Specifically, we introduce a framework for automated evaluation of LLM-generated domains by comparing the sets of plans for domain instances. Finally, we perform an empirical analysis of 7 large language models, including coding and chat models across 9 different planning domains, and under three classes of natural language domain descriptions. Our results indicate that LLMs, particularly those with high parameter counts, exhibit a moderate level of proficiency in generating correct planning domains from natural language descriptions. Our code is available at https://github.com/IBM/NL2PDDL.

The performance of large language models (LLMs) on existing reasoning benchmarks has significantly improved over the past years. In response, we present JEEBench, a considerably more challenging benchmark dataset for evaluating the problem solving abilities of LLMs. We curate 515 challenging pre-engineering mathematics, physics and chemistry problems from the highly competitive IIT JEE-Advanced exam. Long-horizon reasoning on top of deep in-domain knowledge is essential for solving problems in this benchmark. Our evaluation on various open-source and proprietary models reveals that the highest performance, even after using techniques like self-consistency, self-refinement and chain-of-thought prompting, is less than 40%. The typical failure modes of GPT-4, the best model, are errors in algebraic manipulation, difficulty in grounding abstract concepts into mathematical equations accurately and failure in retrieving relevant domain-specific concepts. We also observe that by mere prompting, GPT-4 is unable to assess risk introduced by negative marking for incorrect answers. For this, we develop a post-hoc confidence-thresholding method over self-consistency, which enables effective response selection. We hope that our challenging benchmark will guide future re-search in problem-solving using LLMs.

Programming-by-Examples (PBE) aims to generate an algorithm from input-output examples. Such systems are practically and theoretically important: from an end-user perspective, they are deployed to millions of people, and from an AI perspective, PBE corresponds to a very general form of few-shot inductive inference. Given the success of Large Language Models (LLMs) in code-generation tasks, we investigate here the extent to which LLMs can be said to have `solved' PBE. We experiment on classic domains such as lists and strings, and an uncommon graphics programming domain not well represented in typical pretraining data. We find that pretrained models are not effective at PBE, but that they can be fine-tuned for much higher performance, provided the test problems are in-distribution. We analyze empirically what causes these models to succeed and fail, and take steps toward understanding how to achieve better out-of-distribution generalization. Collectively these results suggest that LLMs make strong progress toward solving the typical suite of PBE tasks, potentially increasing the flexibility and applicability of PBE systems, while also identifying ways in which LLMs still fall short.

Recent advancements in building domain-specific large language models (LLMs) have shown remarkable success, especially in tasks requiring reasoning abilities like logical inference over complex relationships and multi-step problem solving. However, creating a powerful all-in-one LLM remains challenging due to the need for proprietary data and vast computational resources. As a resource-friendly alternative, we explore the potential of merging multiple expert models into a single LLM. Existing studies on model merging mainly focus on generalist LLMs instead of domain experts, or the LLMs under the same architecture and size. In this work, we propose an unconstrained model merging framework that accommodates both homogeneous and heterogeneous model architectures with a focus on reasoning tasks. A fine-grained layer-wise weight merging strategy is designed for homogeneous models merging, while heterogeneous model merging is built upon the probabilistic distribution knowledge derived from instruction-response fine-tuning data. Across 7 benchmarks and 9 reasoning-optimized LLMs, we reveal key findings that combinatorial reasoning emerges from merging which surpasses simple additive effects. We propose that unconstrained model merging could serve as a foundation for decentralized LLMs, marking a notable progression from the existing centralized LLM framework. This evolution could enhance wider participation and stimulate additional advancement in the field of artificial intelligence, effectively addressing the constraints posed by centralized models.

The Abstraction and Reasoning Corpus (ARC) is a general artificial intelligence benchmark that poses difficulties for pure machine learning methods due to its requirement for fluid intelligence with a focus on reasoning and abstraction. In this work, we introduce an ARC solver, Generalized Planning for Abstract Reasoning (GPAR). It casts an ARC problem as a generalized planning (GP) problem, where a solution is formalized as a planning program with pointers. We express each ARC problem using the standard Planning Domain Definition Language (PDDL) coupled with external functions representing object-centric abstractions. We show how to scale up GP solvers via domain knowledge specific to ARC in the form of restrictions over the actions model, predicates, arguments and valid structure of planning programs. Our experiments demonstrate that GPAR outperforms the state-of-the-art solvers on the object-centric tasks of the ARC, showing the effectiveness of GP and the expressiveness of PDDL to model ARC problems. The challenges provided by the ARC benchmark motivate research to advance existing GP solvers and understand new relations with other planning computational models. Code is available at github.com/you68681/GPAR.

The sequential process of conceptualization and instantiation is essential to generalizable commonsense reasoning as it allows the application of existing knowledge to unfamiliar scenarios. However, existing works tend to undervalue the step of instantiation and heavily rely on pre-built concept taxonomies and human annotations to collect both types of knowledge, resulting in a lack of instantiated knowledge to complete reasoning, high cost, and limited scalability. To tackle these challenges, we introduce CANDLE, a distillation framework that iteratively performs contextualized conceptualization and instantiation over commonsense knowledge bases by instructing large language models to generate both types of knowledge with critic filtering. By applying CANDLE to ATOMIC, we construct a comprehensive knowledge base comprising six million conceptualizations and instantiated commonsense knowledge triples. Both types of knowledge are firmly rooted in the original ATOMIC dataset, and intrinsic evaluations demonstrate their exceptional quality and diversity. Empirical results indicate that distilling CANDLE on student models provides benefits across four downstream tasks. Our code, data, and models are publicly available at https://github.com/HKUST-KnowComp/CANDLE.

We present NLU++, a novel dataset for natural language understanding (NLU) in task-oriented dialogue (ToD) systems, with the aim to provide a much more challenging evaluation environment for dialogue NLU models, up to date with the current application and industry requirements. NLU++ is divided into two domains (BANKING and HOTELS) and brings several crucial improvements over current commonly used NLU datasets. 1) NLU++ provides fine-grained domain ontologies with a large set of challenging multi-intent sentences, introducing and validating the idea of intent modules that can be combined into complex intents that convey complex user goals, combined with finer-grained and thus more challenging slot sets. 2) The ontology is divided into domain-specific and generic (i.e., domain-universal) intent modules that overlap across domains, promoting cross-domain reusability of annotated examples. 3) The dataset design has been inspired by the problems observed in industrial ToD systems, and 4) it has been collected, filtered and carefully annotated by dialogue NLU experts, yielding high-quality annotated data. Finally, we benchmark a series of current state-of-the-art NLU models on NLU++; the results demonstrate the challenging nature of the dataset, especially in low-data regimes, the validity of `intent modularisation', and call for further research on ToD NLU.

In the domain of model-based engineering, models are essential components that enable system design and analysis. Traditionally, the creation of these models has been a manual process requiring not only deep modeling expertise but also substantial domain knowledge of target systems. With the rapid advancement of generative artificial intelligence, large language models (LLMs) show potential for automating model generation. This work explores the generation of instance models using LLMs, focusing specifically on producing XMI-based instance models from Ecore metamodels and natural language specifications. We observe that current LLMs struggle to directly generate valid XMI models. To address this, we propose a two-step approach: first, using LLMs to produce a simplified structured output containing all necessary instance model information, namely a conceptual instance model, and then compiling this intermediate representation into a valid XMI file. The conceptual instance model is format-independent, allowing it to be transformed into various modeling formats via different compilers. The feasibility of the proposed method has been demonstrated using several LLMs, including GPT-4o, o1-preview, Llama 3.1 (8B and 70B). Results show that the proposed method significantly improves the usability of LLMs for instance model generation tasks. Notably, the smaller open-source model, Llama 3.1 70B, demonstrated performance comparable to proprietary GPT models within the proposed framework.

Large Language Models (LLMs) have made remarkable strides in reasoning tasks, yet their performance often falters on novel and complex problems. Domain-specific continued pretraining (CPT) methods, such as those tailored for mathematical reasoning, have shown promise but lack transferability to broader reasoning tasks. In this work, we pioneer the use of Graph Problem Reasoning (GPR) to enhance the general reasoning capabilities of LLMs. GPR tasks, spanning pathfinding, network analysis, numerical computation, and topological reasoning, require sophisticated logical and relational reasoning, making them ideal for teaching diverse reasoning patterns. To achieve this, we introduce GraphPile, the first large-scale corpus specifically designed for CPT using GPR data. Spanning 10.9 billion tokens across 23 graph tasks, the dataset includes chain-of-thought, program-of-thought, trace of execution, and real-world graph data. Using GraphPile, we train GraphMind on popular base models Llama 3 and 3.1, as well as Gemma 2, achieving up to 4.9 percent higher accuracy in mathematical reasoning and up to 21.2 percent improvement in non-mathematical reasoning tasks such as logical and commonsense reasoning. By being the first to harness GPR for enhancing reasoning patterns and introducing the first dataset of its kind, our work bridges the gap between domain-specific pretraining and universal reasoning capabilities, advancing the adaptability and robustness of LLMs.

No free lunch theorems for supervised learning state that no learner can solve all problems or that all learners achieve exactly the same accuracy on average over a uniform distribution on learning problems. Accordingly, these theorems are often referenced in support of the notion that individual problems require specially tailored inductive biases. While virtually all uniformly sampled datasets have high complexity, real-world problems disproportionately generate low-complexity data, and we argue that neural network models share this same preference, formalized using Kolmogorov complexity. Notably, we show that architectures designed for a particular domain, such as computer vision, can compress datasets on a variety of seemingly unrelated domains. Our experiments show that pre-trained and even randomly initialized language models prefer to generate low-complexity sequences. Whereas no free lunch theorems seemingly indicate that individual problems require specialized learners, we explain how tasks that often require human intervention such as picking an appropriately sized model when labeled data is scarce or plentiful can be automated into a single learning algorithm. These observations justify the trend in deep learning of unifying seemingly disparate problems with an increasingly small set of machine learning models.

Conceptual combination is a cognitive process that merges basic concepts, enabling the creation of complex expressions. During this process, the properties of combination (e.g., the whiteness of a peeled apple) can be inherited from basic concepts, newly emerge, or be canceled. However, previous studies have evaluated a limited set of properties and have not examined the generative process. To address this gap, we introduce the Conceptual Combination with Property Type dataset (CCPT), which consists of 12.3K annotated triplets of noun phrases, properties, and property types. Using CCPT, we establish three types of tasks to evaluate LLMs for conceptual combination thoroughly. Our key findings are threefold: (1) Our automatic metric grading property emergence and cancellation closely corresponds with human judgments. (2) LLMs, including OpenAI's o1, struggle to generate noun phrases which possess given emergent properties. (3) Our proposed method, inspired by cognitive psychology model that explains how relationships between concepts are formed, improves performances in all generative tasks. The dataset and experimental code are available at https://github.com/seokwon99/CCPT.git.

Extensive studies have been devoted to privatizing general-domain Large Language Models (LLMs) as Domain-Specific LLMs via feeding specific-domain data. However, these privatization efforts often ignored a critical aspect: Dual Logic Ability, which is a core reasoning ability for LLMs. The dual logic ability of LLMs ensures that they can maintain a consistent stance when confronted with both positive and negative statements about the same fact. Our study focuses on how the dual logic ability of LLMs is affected during the privatization process in the medical domain. We conduct several experiments to analyze the dual logic ability of LLMs by examining the consistency of the stance in responses to paired questions about the same fact. In our experiments, interestingly, we observed a significant decrease in the dual logic ability of existing LLMs after privatization. Besides, our results indicate that incorporating general domain dual logic data into LLMs not only enhances LLMs' dual logic ability but also further improves their accuracy. These findings underscore the importance of prioritizing LLMs' dual logic ability during the privatization process. Our study establishes a benchmark for future research aimed at exploring LLMs' dual logic ability during the privatization process and offers valuable guidance for privatization efforts in real-world applications.

The task of "unlearning" certain concepts in large language models (LLMs) has attracted immense attention recently, due to its importance for mitigating undesirable model behaviours, such as the generation of harmful, private, or incorrect information. Current protocols to evaluate unlearning methods largely rely on behavioral tests, without monitoring the presence of unlearned knowledge within the model's parameters. This residual knowledge can be adversarially exploited to recover the erased information post-unlearning. We argue that unlearning should also be evaluated internally, by considering changes in the parametric knowledge traces of the unlearned concepts. To this end, we propose a general methodology for eliciting directions in the parameter space (termed "concept vectors") that encode concrete concepts, and construct ConceptVectors, a benchmark dataset containing hundreds of common concepts and their parametric knowledge traces within two open-source LLMs. Evaluation on ConceptVectors shows that existing unlearning methods minimally impact concept vectors, while directly ablating these vectors demonstrably removes the associated knowledge from the LLMs and significantly reduces their susceptibility to adversarial manipulation. Our results highlight limitations in behavioral-based unlearning evaluations and call for future work to include parametric-based evaluations. To support this, we release our code and benchmark at https://github.com/yihuaihong/ConceptVectors.

Recent studies of the applications of conversational AI tools, such as chatbots powered by large language models, to complex real-world knowledge work have shown limitations related to reasoning and multi-step problem solving. Specifically, while existing chatbots simulate shallow reasoning and understanding they are prone to errors as problem complexity increases. The failure of these systems to address complex knowledge work is due to the fact that they do not perform any actual cognition. In this position paper, we present Cognitive AI, a higher-level framework for implementing programmatically defined neuro-symbolic cognition above and outside of large language models. Specifically, we propose a dual-layer functional architecture for Cognitive AI that serves as a roadmap for AI systems that can perform complex multi-step knowledge work. We propose that Cognitive AI is a necessary precursor for the evolution of higher forms of AI, such as AGI, and specifically claim that AGI cannot be achieved by probabilistic approaches on their own. We conclude with a discussion of the implications for large language models, adoption cycles in AI, and commercial Cognitive AI development.

We introduce Low-Shot Open-Set Domain Generalization (LSOSDG), a novel paradigm unifying low-shot learning with open-set domain generalization (ODG). While prompt-based methods using models like CLIP have advanced DG, they falter in low-data regimes (e.g., 1-shot) and lack precision in detecting open-set samples with fine-grained semantics related to training classes. To address these challenges, we propose OSLOPROMPT, an advanced prompt-learning framework for CLIP with two core innovations. First, to manage limited supervision across source domains and improve DG, we introduce a domain-agnostic prompt-learning mechanism that integrates adaptable domain-specific cues and visually guided semantic attributes through a novel cross-attention module, besides being supported by learnable domain- and class-generic visual prompts to enhance cross-modal adaptability. Second, to improve outlier rejection during inference, we classify unfamiliar samples as "unknown" and train specialized prompts with systematically synthesized pseudo-open samples that maintain fine-grained relationships to known classes, generated through a targeted query strategy with off-the-shelf foundation models. This strategy enhances feature learning, enabling our model to detect open samples with varied granularity more effectively. Extensive evaluations across five benchmarks demonstrate that OSLOPROMPT establishes a new state-of-the-art in LSOSDG, significantly outperforming existing methods.

The reliability of large language models (LLMs) during test-time scaling is often assessed with external verifiers or reward models that distinguish correct reasoning from flawed logic. Prior work generally assumes that process reward models (PRMs), which score every intermediate reasoning step, outperform outcome reward models (ORMs) that assess only the final answer. This view is based mainly on evidence from narrow, math-adjacent domains. We present the first unified evaluation of four reward model variants, discriminative ORM and PRM (\DisORM, \DisPRM) and generative ORM and PRM (\GenORM, \GenPRM), across 14 diverse domains. Contrary to conventional wisdom, we find that (i) \DisORM performs on par with \DisPRM, (ii) \GenPRM is not competitive, and (iii) overall, \GenORM is the most robust, yielding significant and consistent gains across every tested domain. We attribute this to PRM-style stepwise scoring, which inherits label noise from LLM auto-labeling and has difficulty evaluating long reasoning trajectories, including those involving self-correcting reasoning. Our theoretical analysis shows that step-wise aggregation compounds errors as reasoning length grows, and our empirical observations confirm this effect. These findings challenge the prevailing assumption that fine-grained supervision is always better and support generative outcome verification for multi-domain deployment. We publicly release our code, datasets, and checkpoints at https://github.com/db-Lee/Multi-RM{\small\texttt{https://github.com/db-Lee/Multi-RM}} to facilitate future research in multi-domain settings.

Reinforcement learning (RL) has recently demonstrated strong potential in enhancing the reasoning capabilities of large language models (LLMs). Particularly, the "Zero" reinforcement learning introduced by Deepseek-R1-Zero, enables direct RL training of base LLMs without relying on an intermediate supervised fine-tuning stage. Despite these advancements, current works for LLM reasoning mainly focus on mathematical and coding domains, largely due to data abundance and the ease of answer verification. This limits the applicability and generalization of such models to broader domains, where questions often have diverse answer representations, and data is more scarce. In this paper, we propose General-Reasoner, a novel training paradigm designed to enhance LLM reasoning capabilities across diverse domains. Our key contributions include: (1) constructing a large-scale, high-quality dataset of questions with verifiable answers curated by web crawling, covering a wide range of disciplines; and (2) developing a generative model-based answer verifier, which replaces traditional rule-based verification with the capability of chain-of-thought and context-awareness. We train a series of models and evaluate them on a wide range of datasets covering wide domains like physics, chemistry, finance, electronics etc. Our comprehensive evaluation across these 12 benchmarks (e.g. MMLU-Pro, GPQA, SuperGPQA, TheoremQA, BBEH and MATH AMC) demonstrates that General-Reasoner outperforms existing baseline methods, achieving robust and generalizable reasoning performance while maintaining superior effectiveness in mathematical reasoning tasks.

Natural language programming is a promising approach to enable end users to instruct new tasks for intelligent agents. However, our formative study found that end users would often use unclear, ambiguous or vague concepts when naturally instructing tasks in natural language, especially when specifying conditionals. Existing systems have limited support for letting the user teach agents new concepts or explaining unclear concepts. In this paper, we describe a new multi-modal domain-independent approach that combines natural language programming and programming-by-demonstration to allow users to first naturally describe tasks and associated conditions at a high level, and then collaborate with the agent to recursively resolve any ambiguities or vagueness through conversations and demonstrations. Users can also define new procedures and concepts by demonstrating and referring to contents within GUIs of existing mobile apps. We demonstrate this approach in PUMICE, an end-user programmable agent that implements this approach. A lab study with 10 users showed its usability.

Large Language Models (LLMs) have demonstrated remarkable performance on various quantitative reasoning and knowledge benchmarks. However, many of these benchmarks are losing utility as LLMs get increasingly high scores, despite not yet reaching expert performance in these domains. We introduce ARB, a novel benchmark composed of advanced reasoning problems in multiple fields. ARB presents a more challenging test than prior benchmarks, featuring problems in mathematics, physics, biology, chemistry, and law. As a subset of ARB, we introduce a challenging set of math and physics problems which require advanced symbolic reasoning and domain knowledge. We evaluate recent models such as GPT-4 and Claude on ARB and demonstrate that current models score well below 50% on more demanding tasks. In order to improve both automatic and assisted evaluation capabilities, we introduce a rubric-based evaluation approach, allowing GPT-4 to score its own intermediate reasoning steps. Further, we conduct a human evaluation of the symbolic subset of ARB, finding promising agreement between annotators and GPT-4 rubric evaluation scores.

Investigating whether pre-trained language models (LMs) can function as knowledge bases (KBs) has raised wide research interests recently. However, existing works focus on simple, triple-based, relational KBs, but omit more sophisticated, logic-based, conceptualised KBs such as OWL ontologies. To investigate an LM's knowledge of ontologies, we propose OntoLAMA, a set of inference-based probing tasks and datasets from ontology subsumption axioms involving both atomic and complex concepts. We conduct extensive experiments on ontologies of different domains and scales, and our results demonstrate that LMs encode relatively less background knowledge of Subsumption Inference (SI) than traditional Natural Language Inference (NLI) but can improve on SI significantly when a small number of samples are given. We will open-source our code and datasets.

This position paper argues that, in order to understand AI, we cannot rely on our existing vocabulary of human words. Instead, we should strive to develop neologisms: new words that represent precise human concepts that we want to teach machines, or machine concepts that we need to learn. We start from the premise that humans and machines have differing concepts. This means interpretability can be framed as a communication problem: humans must be able to reference and control machine concepts, and communicate human concepts to machines. Creating a shared human-machine language through developing neologisms, we believe, could solve this communication problem. Successful neologisms achieve a useful amount of abstraction: not too detailed, so they're reusable in many contexts, and not too high-level, so they convey precise information. As a proof of concept, we demonstrate how a "length neologism" enables controlling LLM response length, while a "diversity neologism" allows sampling more variable responses. Taken together, we argue that we cannot understand AI using our existing vocabulary, and expanding it through neologisms creates opportunities for both controlling and understanding machines better.

Retrieval-augmented learning based on radiology reports has emerged as a promising direction to improve performance on long-tail medical imaging tasks, such as rare disease detection in chest X-rays. Most existing methods rely on comparing high-dimensional text embeddings from models like CLIP or CXR-BERT, which are often difficult to interpret, computationally expensive, and not well-aligned with the structured nature of medical knowledge. We propose a novel, ontology-driven alternative for comparing radiology report texts based on clinically grounded concepts from the Unified Medical Language System (UMLS). Our method extracts standardised medical entities from free-text reports using an enhanced pipeline built on RadGraph-XL and SapBERT. These entities are linked to UMLS concepts (CUIs), enabling a transparent, interpretable set-based representation of each report. We then define a task-adaptive similarity measure based on a modified and weighted version of the Tversky Index that accounts for synonymy, negation, and hierarchical relationships between medical entities. This allows efficient and semantically meaningful similarity comparisons between reports. We demonstrate that our approach outperforms state-of-the-art embedding-based retrieval methods in a radiograph classification task on MIMIC-CXR, particularly in long-tail settings. Additionally, we use our pipeline to generate ontology-backed disease labels for MIMIC-CXR, offering a valuable new resource for downstream learning tasks. Our work provides more explainable, reliable, and task-specific retrieval strategies in clinical AI systems, especially when interpretability and domain knowledge integration are essential. Our code is available at https://github.com/Felix-012/ontology-concept-distillation

The development of domain-specific languages (DSLs) is a laborious and iterative process that seems to naturally lean to the use of generative artificial intelligence. We design and prototype DSL Assistant, a tool that integrates generative language models to support the development of DSLs. DSL Assistant uses OpenAI's assistant API with GPT-4o to generate DSL grammars and example instances. To reflect real-world use, DSL Assistant supports several different interaction modes for evolving a DSL design, and includes automatic error repair. Our experiments show that DSL Assistant helps users to create and modify DSLs. However, the quality of the generated DSLs depends on the specific domain and the followed interaction patterns.

Happiness computing based on large-scale online web data and machine learning methods is an emerging research topic that underpins a range of issues, from personal growth to social stability. Many advanced Machine Learning (ML) models with explanations are used to compute the happiness online assessment while maintaining high accuracy of results. However, domain knowledge constraints, such as the primary and secondary relations of happiness factors, are absent from these models, which limits the association between computing results and the right reasons for why they occurred. This article attempts to provide new insights into the explanation consistency from an empirical study perspective. Then we study how to represent and introduce domain knowledge constraints to make ML models more trustworthy. We achieve this through: (1) proving that multiple prediction models with additive factor attributions will have the desirable property of primary and secondary relations consistency, and (2) showing that factor relations with quantity can be represented as an importance distribution for encoding domain knowledge. Factor explanation difference is penalized by the Kullback-Leibler divergence-based loss among computing models. Experimental results using two online web datasets show that domain knowledge of stable factor relations exists. Using this knowledge not only improves happiness computing accuracy but also reveals more significative happiness factors for assisting decisions well.

Abstract reasoning, the ability to reason from the abstract essence of a problem, serves as a key to generalization in human reasoning. However, eliciting language models to perform reasoning with abstraction remains unexplored. This paper seeks to bridge this gap by introducing a novel structured reasoning format called Abstraction-of-Thought (AoT). The uniqueness of AoT lies in its explicit requirement for varying levels of abstraction within the reasoning process. This approach could elicit language models to first contemplate on the abstract level before incorporating concrete details, which is overlooked by the prevailing step-by-step Chain-of-Thought (CoT) method. To align models with the AoT format, we present AoT Collection, a generic finetuning dataset consisting of 348k high-quality samples with AoT reasoning processes, collected via an automated and scalable pipeline. We finetune a wide range of language models with AoT Collection and conduct extensive evaluations on 23 unseen tasks from the challenging benchmark Big-Bench Hard. Experimental results indicate that models aligned to AoT reasoning format substantially outperform those aligned to CoT in many reasoning tasks.

In recent years, large language models (LLMs) have shown remarkable capabilities in various artificial intelligence problems. However, they fail to plan reliably, even when prompted with a detailed definition of the planning task. Attempts to improve their planning capabilities, such as chain-of-thought prompting, fine-tuning, and explicit "reasoning" still yield incorrect plans and usually fail to generalize to larger tasks. In this paper, we show how to use LLMs to generate correct plans, even for out-of-distribution tasks of increasing size. For a given planning domain, we ask an LLM to generate several domain-dependent heuristic functions in the form of Python code, evaluate them on a set of training tasks within a greedy best-first search, and choose the strongest one. The resulting LLM-generated heuristics solve many more unseen test tasks than state-of-the-art domain-independent heuristics for classical planning. They are even competitive with the strongest learning algorithm for domain-dependent planning. These findings are especially remarkable given that our proof-of-concept implementation is based on an unoptimized Python planner and the baselines all build upon highly optimized C++ code. In some domains, the LLM-generated heuristics expand fewer states than the baselines, revealing that they are not only efficiently computable, but sometimes even more informative than the state-of-the-art heuristics. Overall, our results show that sampling a set of planning heuristic function programs can significantly improve the planning capabilities of LLMs.

Pretrained language models (PLMs) for data-to-text (D2T) generation can use human-readable data labels such as column headings, keys, or relation names to generalize to out-of-domain examples. However, the models are well-known in producing semantically inaccurate outputs if these labels are ambiguous or incomplete, which is often the case in D2T datasets. In this paper, we expose this issue on the task of descibing a relation between two entities. For our experiments, we collect a novel dataset for verbalizing a diverse set of 1,522 unique relations from three large-scale knowledge graphs (Wikidata, DBPedia, YAGO). We find that although PLMs for D2T generation expectedly fail on unclear cases, models trained with a large variety of relation labels are surprisingly robust in verbalizing novel, unseen relations. We argue that using data with a diverse set of clear and meaningful labels is key to training D2T generation systems capable of generalizing to novel domains.

Large Language Models (LLMs) pre-trained on massive corpora have exhibited remarkable performance on various NLP tasks. However, applying these models to specific domains still poses significant challenges, such as lack of domain knowledge, limited capacity to leverage domain knowledge and inadequate adaptation to domain-specific data formats. Considering the exorbitant cost of training LLMs from scratch and the scarcity of annotated data within particular domains, in this work, we focus on domain-specific continual pre-training of LLMs using E-commerce domain as an exemplar. Specifically, we explore the impact of continual pre-training on LLMs employing unlabeled general and E-commercial corpora. Furthermore, we design a mixing strategy among different data sources to better leverage E-commercial semi-structured data. We construct multiple tasks to assess LLMs' few-shot In-context Learning ability and their zero-shot performance after instruction tuning in E-commerce domain. Experimental results demonstrate the effectiveness of continual pre-training of E-commerce LLMs and the efficacy of our devised data mixing strategy.

Large language models (LLMs), such as ChatGPT and GPT-4, are versatile and can solve different tasks due to their emergent ability and generalizability. However, LLMs sometimes lack domain-specific knowledge to perform tasks, which would also cause hallucination during inference. In some previous works, additional modules like graph neural networks (GNNs) are trained on retrieved knowledge from external knowledge bases, aiming to mitigate the problem of lacking domain-specific knowledge. However, incorporating additional modules: 1) would need retraining additional modules when encountering novel domains; 2) would become a bottleneck since LLMs' strong abilities are not fully utilized for retrieval. In this paper, we propose a paradigm, termed Knowledge Solver (KSL), to teach LLMs to search for essential knowledge from external knowledge bases by harnessing their own strong generalizability. Specifically, we design a simple yet effective prompt to transform retrieval into a multi-hop decision sequence, which empowers LLMs with searching knowledge ability in zero-shot manner. Additionally, KSL is able to provide complete retrieval paths and therefore increase explainability of LLMs' reasoning processes. We conduct experiments on three datasets: CommonsenseQA, OpenbookQA, and MedQA-USMLE, and found that our approach improves LLM baseline performance by a relatively large margin.

Many students struggle with math word problems (MWPs), often finding it difficult to identify key information and select the appropriate mathematical operations.Schema-based instruction (SBI) is an evidence-based strategy that helps students categorize problems based on their structure, improving problem-solving accuracy. Building on this, we propose a Schema-Based Instruction Retrieval-Augmented Generation (SBI-RAG) framework that incorporates a large language model (LLM).Our approach emphasizes step-by-step reasoning by leveraging schemas to guide solution generation. We evaluate its performance on the GSM8K dataset, comparing it with GPT-4 and GPT-3.5 Turbo, and introduce a "reasoning score" metric to assess solution quality. Our findings suggest that SBI-RAG enhances reasoning clarity and problem-solving accuracy, potentially providing educational benefits for students

Large language models (LLMs) have demonstrated remarkable reasoning capabilities through test-time scaling approaches, particularly when fine-tuned with chain-of-thought (CoT) data distilled from more powerful large reasoning models (LRMs). However, these reasoning chains often contain verbose elements that mirror human problem-solving, categorized as progressive reasoning (the essential solution development path) and functional elements (verification processes, alternative solution approaches, and error corrections). While progressive reasoning is crucial, the functional elements significantly increase computational demands during test-time inference. We introduce PIR (Perplexity-based Importance Refinement), a principled framework that quantitatively evaluates the importance of each reasoning step based on its impact on answer prediction confidence. PIR systematically identifies and selectively prunes only low-importance functional steps while preserving progressive reasoning components, creating optimized training data that maintains the integrity of the core solution path while reducing verbosity. Models fine-tuned on PIR-optimized data exhibit superior test-time scaling properties, generating more concise reasoning chains while achieving improved accuracy (+0.9\% to +6.6\%) with significantly reduced token usage (-3\% to -41\%) across challenging reasoning benchmarks (AIME, AMC, and GPQA Diamond). Our approach demonstrates strong generalizability across different model sizes, data sources, and token budgets, offering a practical solution for deploying reasoning-capable LLMs in scenarios where efficient test-time scaling, response time, and computational efficiency are valuable constraints.

In Greek mythology, Pistis symbolized good faith, trust, and reliability, echoing the core principles of RAG in LLM systems. Pistis-RAG, a scalable multi-stage framework, effectively addresses the challenges of large-scale retrieval-augmented generation (RAG). Each stage plays a distinct role: matching refines the search space, pre-ranking prioritizes semantically relevant documents, and ranking aligns with the large language model's (LLM) preferences. The reasoning and aggregating stage supports the implementation of complex chain-of-thought (CoT) methods within this cascading structure. We argue that the lack of strong alignment between LLMs and the external knowledge ranking methods used in RAG tasks is relevant to the reliance on the model-centric paradigm in RAG frameworks. A content-centric approach would prioritize seamless integration between the LLMs and external information sources, optimizing the content transformation process for each specific task. Critically, our ranking stage deviates from traditional RAG approaches by recognizing that semantic relevance alone may not directly translate to improved generation. This is due to the sensitivity of the few-shot prompt order, as highlighted in prior work lu2021fantastically. Current RAG frameworks fail to account for this crucial factor. We introduce a novel ranking stage specifically designed for RAG systems. It adheres to information retrieval principles while considering the unique business scenario captured by LLM preferences and user feedback. Our approach integrates in-context learning (ICL) methods and reasoning steps to incorporate user feedback, ensuring efficient alignment. Experiments on the MMLU benchmark demonstrate a 9.3\% performance improvement. The model and code will be open-sourced on GitHub. Experiments on real-world, large-scale data validate our framework's scalability.

This report overviews our ongoing work in enriching chain-of-thoughts datasets requiring arithmetical reasoning with the integration of non-parametric components, such as a calculator. We conduct an analysis of prominent relevant datasets such as GSM8K, Ape210K, AQuA-RAT, and MathQA and propose a machine-processable HTML-like format specifically tailored for working with semi-structured chains. By converting the datasets into this unified format, we enable the effective integration of large language models and symbolic systems, empowering them to tackle arithmetical reasoning tasks more efficiently.

This paper explores the potential of contextualized word embeddings (CWEs) as a new tool in the history, philosophy, and sociology of science (HPSS) for studying contextual and evolving meanings of scientific concepts. Using the term "Planck" as a test case, I evaluate five BERT-based models with varying degrees of domain-specific pretraining, including my custom model Astro-HEP-BERT, trained on the Astro-HEP Corpus, a dataset containing 21.84 million paragraphs from 600,000 articles in astrophysics and high-energy physics. For this analysis, I compiled two labeled datasets: (1) the Astro-HEP-Planck Corpus, consisting of 2,900 labeled occurrences of "Planck" sampled from 1,500 paragraphs in the Astro-HEP Corpus, and (2) a physics-related Wikipedia dataset comprising 1,186 labeled occurrences of "Planck" across 885 paragraphs. Results demonstrate that the domain-adapted models outperform the general-purpose ones in disambiguating the target term, predicting its known meanings, and generating high-quality sense clusters, as measured by a novel purity indicator I developed. Additionally, this approach reveals semantic shifts in the target term over three decades in the unlabeled Astro-HEP Corpus, highlighting the emergence of the Planck space mission as a dominant sense. The study underscores the importance of domain-specific pretraining for analyzing scientific language and demonstrates the cost-effectiveness of adapting pretrained models for HPSS research. By offering a scalable and transferable method for modeling the meanings of scientific concepts, CWEs open up new avenues for investigating the socio-historical dynamics of scientific discourses.

Generating novel and creative scientific hypotheses is a cornerstone in achieving Artificial General Intelligence. Large language and reasoning models have the potential to aid in the systematic creation, selection, and validation of scientifically informed hypotheses. However, current foundation models often struggle to produce scientific ideas that are both novel and feasible. One reason is the lack of a dedicated dataset that frames Scientific Hypothesis Generation (SHG) as a Natural Language Generation (NLG) task. In this paper, we introduce HypoGen, the first dataset of approximately 5500 structured problem-hypothesis pairs extracted from top-tier computer science conferences structured with a Bit-Flip-Spark schema, where the Bit is the conventional assumption, the Spark is the key insight or conceptual leap, and the Flip is the resulting counterproposal. HypoGen uniquely integrates an explicit Chain-of-Reasoning component that reflects the intellectual process from Bit to Flip. We demonstrate that framing hypothesis generation as conditional language modelling, with the model fine-tuned on Bit-Flip-Spark and the Chain-of-Reasoning (and where, at inference, we only provide the Bit), leads to improvements in the overall quality of the hypotheses. Our evaluation employs automated metrics and LLM judge rankings for overall quality assessment. We show that by fine-tuning on our HypoGen dataset we improve the novelty, feasibility, and overall quality of the generated hypotheses. The HypoGen dataset is publicly available at huggingface.co/datasets/UniverseTBD/hypogen-dr1.

Preference mechanisms, such as human preference, LLM-as-a-Judge (LaaJ), and reward models, are central to aligning and evaluating large language models (LLMs). Yet, the underlying concepts that drive these preferences remain poorly understood. In this work, we propose a fully automated method for generating local and global concept-based explanations of preferences across multiple domains. Our method utilizes an LLM to identify concepts that distinguish between chosen and rejected responses, and to represent them with concept-based vectors. To model the relationships between concepts and preferences, we propose a white-box Hierarchical Multi-Domain Regression model that captures both domain-general and domain-specific effects. To evaluate our method, we curate a dataset spanning eight challenging and diverse domains and explain twelve mechanisms. Our method achieves strong preference prediction performance, outperforming baselines while also being explainable. Additionally, we assess explanations in two application-driven settings. First, guiding LLM outputs with concepts from LaaJ explanations yields responses that those judges consistently prefer. Second, prompting LaaJs with concepts explaining humans improves their preference predictions. Together, our work establishes a new paradigm for explainability in the era of LLMs.

The recent LLMs like GPT-4 and PaLM-2 have made tremendous progress in solving fundamental math problems like GSM8K by achieving over 90\% accuracy. However, their capabilities to solve more challenging math problems which require domain-specific knowledge (i.e. theorem) have yet to be investigated. In this paper, we introduce TheoremQA, the first theorem-driven question-answering dataset designed to evaluate AI models' capabilities to apply theorems to solve challenging science problems. \dataset is curated by domain experts containing 800 high-quality questions covering 350 theoremse.g. Taylor's theorem, Lagrange's theorem, Huffman coding, Quantum Theorem, Elasticity Theorem, etc from Math, Physics, EE\&CS, and Finance. We evaluate a wide spectrum of 16 large language and code models with different prompting strategies like Chain-of-Thoughts and Program-of-Thoughts. We found that GPT-4's capabilities to solve these problems are unparalleled, achieving an accuracy of 51\% with Program-of-Thoughts Prompting. All the existing open-sourced models are below 15\%, barely surpassing the random-guess baseline. Given the diversity and broad coverage of \dataset, we believe it can be used as a better benchmark to evaluate LLMs' capabilities to solve challenging science problems. The data and code are released in https://github.com/wenhuchen/TheoremQA.

Recent progress has pushed AI frontiers from pattern recognition tasks toward problems that require step by step, System2 style reasoning, especially with large language models. Yet, unlike learning, where generalization and out of distribution (OoD) evaluation concepts are well formalized, there is no clear, consistent definition or metric for reasoning ability. We propose Complexity Out of Distribution (Complexity OoD) generalization as a framework and problem setting to define and measure reasoning. A model exhibits Complexity OoD generalization when it maintains performance on test instances whose minimal required solution complexity, either representational (richer solution structure) or computational (more reasoning steps/program length), exceeds that of all training examples. We formalize complexity via solution description Kolmogorov complexity and operational proxies (e.g., object/relation counts; reasoning step counts), clarifying how Complexity OoD differs from length and compositional OoD. This lens unifies learning and reasoning: many cases solvable with System1 like processing at low complexity become System2 like under complexity pressure, while System2 can be viewed as generalization over solution structures. We translate this perspective into practice with recommendations for operationalizing Complexity OoD across the stack: incorporating complexity into benchmark and evaluation metric design, rethinking supervision to target solution traces, seeking and designing inductive biases for Complexity OoD generalization, addressing learning to reason spillovers such as spurious shortcuts, semantic robustness, catastrophic forgetting, and step wise calibration. Because Complexity OoD cannot be solved by scaling data alone, progress toward robust reasoning will require architectures and training regimes that explicitly model and allocate computation with respect to complexity.

Retrieval-Augmented Generation (RAG) has become ubiquitous when deploying Large Language Models (LLMs), as it can address typical limitations such as generating hallucinated or outdated information. However, when building real-world RAG applications, practical issues arise. First, the retrieved information is generally domain-specific. Since it is computationally expensive to fine-tune LLMs, it is more feasible to fine-tune the retriever to improve the quality of the data included in the LLM input. Second, as more applications are deployed in the same real-world system, one cannot afford to deploy separate retrievers. Moreover, these RAG applications normally retrieve different kinds of data. Our solution is to instruction fine-tune a small retriever encoder on a variety of domain-specific tasks to allow us to deploy one encoder that can serve many use cases, thereby achieving low-cost, scalability, and speed. We show how this encoder generalizes to out-of-domain settings as well as to an unseen retrieval task on real-world enterprise use cases.

Artificial General Intelligence (AGI) has revolutionized numerous fields, yet its integration with graph data, a cornerstone in our interconnected world, remains nascent. This paper presents a pioneering survey on the emerging domain of graph prompts in AGI, addressing key challenges and opportunities in harnessing graph data for AGI applications. Despite substantial advancements in AGI across natural language processing and computer vision, the application to graph data is relatively underexplored. This survey critically evaluates the current landscape of AGI in handling graph data, highlighting the distinct challenges in cross-modality, cross-domain, and cross-task applications specific to graphs. Our work is the first to propose a unified framework for understanding graph prompt learning, offering clarity on prompt tokens, token structures, and insertion patterns in the graph domain. We delve into the intrinsic properties of graph prompts, exploring their flexibility, expressiveness, and interplay with existing graph models. A comprehensive taxonomy categorizes over 100 works in this field, aligning them with pre-training tasks across node-level, edge-level, and graph-level objectives. Additionally, we present, ProG, a Python library, and an accompanying website, to support and advance research in graph prompting. The survey culminates in a discussion of current challenges and future directions, offering a roadmap for research in graph prompting within AGI. Through this comprehensive analysis, we aim to catalyze further exploration and practical applications of AGI in graph data, underlining its potential to reshape AGI fields and beyond. ProG and the website can be accessed by https://github.com/WxxShirley/Awesome-Graph-Prompt, and https://github.com/sheldonresearch/ProG, respectively.

In many scenarios, the interpretability of machine learning models is a highly required but difficult task. To explain the individual predictions of such models, local model-agnostic approaches have been proposed. However, the process generating the explanations can be, for a user, as mysterious as the prediction to be explained. Furthermore, interpretability methods frequently lack theoretical guarantees, and their behavior on simple models is frequently unknown. While it is difficult, if not impossible, to ensure that an explainer behaves as expected on a cutting-edge model, we can at least ensure that everything works on simple, already interpretable models. In this paper, we present a theoretical analysis of Anchors (Ribeiro et al., 2018): a popular rule-based interpretability method that highlights a small set of words to explain a text classifier's decision. After formalizing its algorithm and providing useful insights, we demonstrate mathematically that Anchors produces meaningful results when used with linear text classifiers on top of a TF-IDF vectorization. We believe that our analysis framework can aid in the development of new explainability methods based on solid theoretical foundations.

This work introduces BioLORD, a new pre-training strategy for producing meaningful representations for clinical sentences and biomedical concepts. State-of-the-art methodologies operate by maximizing the similarity in representation of names referring to the same concept, and preventing collapse through contrastive learning. However, because biomedical names are not always self-explanatory, it sometimes results in non-semantic representations. BioLORD overcomes this issue by grounding its concept representations using definitions, as well as short descriptions derived from a multi-relational knowledge graph consisting of biomedical ontologies. Thanks to this grounding, our model produces more semantic concept representations that match more closely the hierarchical structure of ontologies. BioLORD establishes a new state of the art for text similarity on both clinical sentences (MedSTS) and biomedical concepts (MayoSRS).

Scientific texts often convey authority due to their technical language and complex data. However, this complexity can sometimes lead to the spread of misinformation. Non-experts are particularly susceptible to misleading claims based on scientific tables due to their high information density and perceived credibility. Existing table claim verification models, including state-of-the-art large language models (LLMs), often struggle with precise fine-grained reasoning, resulting in errors and a lack of precision in verifying scientific claims. Inspired by Cognitive Load Theory, we propose that enhancing a model's ability to interpret table-based claims involves reducing cognitive load by developing modular, reusable reasoning components (i.e., atomic skills). We introduce a skill-chaining schema that dynamically composes these skills to facilitate more accurate and generalizable reasoning with a reduced cognitive load. To evaluate this, we create SciAtomicBench, a cross-domain benchmark with fine-grained reasoning annotations. With only 350 fine-tuning examples, our model trained by atomic reasoning outperforms GPT-4o's chain-of-thought method, achieving state-of-the-art results with far less training data.

We describe a method, based on Jennifer Nado's proposal for classification procedures as targets of conceptual engineering, that implements such procedures by prompting a large language model. We apply this method, using data from the Wikidata knowledge graph, to evaluate stipulative definitions related to two paradigmatic conceptual engineering projects: the International Astronomical Union's redefinition of PLANET and Haslanger's ameliorative analysis of WOMAN. Our results show that classification procedures built using our approach can exhibit good classification performance and, through the generation of rationales for their classifications, can contribute to the identification of issues in either the definitions or the data against which they are being evaluated. We consider objections to this method, and discuss implications of this work for three aspects of theory and practice of conceptual engineering: the definition of its targets, empirical methods for their investigation, and their practical roles. The data and code used for our experiments, together with the experimental results, are available in a Github repository.

Foundation models have emerged as critical components in a variety of artificial intelligence applications, and showcase significant success in natural language processing and several other domains. Meanwhile, the field of graph machine learning is witnessing a paradigm transition from shallow methods to more sophisticated deep learning approaches. The capabilities of foundation models to generalize and adapt motivate graph machine learning researchers to discuss the potential of developing a new graph learning paradigm. This paradigm envisions models that are pre-trained on extensive graph data and can be adapted for various graph tasks. Despite this burgeoning interest, there is a noticeable lack of clear definitions and systematic analyses pertaining to this new domain. To this end, this article introduces the concept of Graph Foundation Models (GFMs), and offers an exhaustive explanation of their key characteristics and underlying technologies. We proceed to classify the existing work related to GFMs into three distinct categories, based on their dependence on graph neural networks and large language models. In addition to providing a thorough review of the current state of GFMs, this article also outlooks potential avenues for future research in this rapidly evolving domain.

Human cognition typically involves thinking through abstract, fluid concepts rather than strictly using discrete linguistic tokens. Current reasoning models, however, are constrained to reasoning within the boundaries of human language, processing discrete token embeddings that represent fixed points in the semantic space. This discrete constraint restricts the expressive power and upper potential of such reasoning models, often causing incomplete exploration of reasoning paths, as standard Chain-of-Thought (CoT) methods rely on sampling one token per step. In this work, we introduce Soft Thinking, a training-free method that emulates human-like "soft" reasoning by generating soft, abstract concept tokens in a continuous concept space. These concept tokens are created by the probability-weighted mixture of token embeddings, which form the continuous concept space, enabling smooth transitions and richer representations that transcend traditional discrete boundaries. In essence, each generated concept token encapsulates multiple meanings from related discrete tokens, implicitly exploring various reasoning paths to converge effectively toward the correct answer. Empirical evaluations on diverse mathematical and coding benchmarks consistently demonstrate the effectiveness and efficiency of Soft Thinking, improving pass@1 accuracy by up to 2.48 points while simultaneously reducing token usage by up to 22.4% compared to standard CoT. Qualitative analysis further reveals that Soft Thinking outputs remain highly interpretable and readable, highlighting the potential of Soft Thinking to break the inherent bottleneck of discrete language-based reasoning. Code is available at https://github.com/eric-ai-lab/Soft-Thinking.

Segmenting text into fine-grained units of meaning is important to a wide range of NLP applications. The default approach of segmenting text into sentences is often insufficient, especially since sentences are usually complex enough to include multiple units of meaning that merit separate treatment in the downstream task. We focus on the task of abstractive proposition segmentation: transforming text into simple, self-contained, well-formed sentences. Several recent works have demonstrated the utility of proposition segmentation with few-shot prompted LLMs for downstream tasks such as retrieval-augmented grounding and fact verification. However, this approach does not scale to large amounts of text and may not always extract all the facts from the input text. In this paper, we first introduce evaluation metrics for the task to measure several dimensions of quality. We then propose a scalable, yet accurate, proposition segmentation model. We model proposition segmentation as a supervised task by training LLMs on existing annotated datasets and show that training yields significantly improved results. We further show that by using the fine-tuned LLMs as teachers for annotating large amounts of multi-domain synthetic distillation data, we can train smaller student models with results similar to the teacher LLMs. We then demonstrate that our technique leads to effective domain generalization, by annotating data in two domains outside the original training data and evaluating on them. Finally, as a key contribution of the paper, we share an easy-to-use API for NLP practitioners to use.

The pursuit of automated scientific discovery has fueled progress from symbolic logic to modern AI, forging new frontiers in reasoning and pattern recognition. Transformers function as potential systems, where every possible relationship remains latent potentiality until tasks impose constraints, akin to measurement. Yet, refining their sampling requires more than probabilistic selection: solutions must conform to specific structures or rules, ensuring consistency and the invocation of general principles. We present Graph-PReFLexOR (Graph-based Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning), a framework that combines graph reasoning with symbolic abstraction to dynamically expand domain knowledge. Inspired by reinforcement learning, Graph-PReFLexOR defines reasoning as a structured mapping, where tasks yield knowledge graphs, abstract patterns, and ultimately, final answers. Inspired by category theory, it encodes concepts as nodes and their relationships as edges, supporting hierarchical inference and adaptive learning through isomorphic representations. Demonstrations include hypothesis generation, materials design, and creative reasoning, such as discovering relationships between mythological concepts like 'thin places' with materials science. We propose a 'knowledge garden growth' strategy that integrates insights across domains, promoting interdisciplinary connections. Results with a 3-billion-parameter Graph-PReFLexOR model show superior reasoning depth and adaptability, underscoring the potential for transparent, multidisciplinary AI-driven discovery. It lays the groundwork for general autonomous reasoning solutions.

The lack of a concrete definition for Artificial General Intelligence (AGI) obscures the gap between today's specialized AI and human-level cognition. This paper introduces a quantifiable framework to address this, defining AGI as matching the cognitive versatility and proficiency of a well-educated adult. To operationalize this, we ground our methodology in Cattell-Horn-Carroll theory, the most empirically validated model of human cognition. The framework dissects general intelligence into ten core cognitive domains-including reasoning, memory, and perception-and adapts established human psychometric batteries to evaluate AI systems. Application of this framework reveals a highly "jagged" cognitive profile in contemporary models. While proficient in knowledge-intensive domains, current AI systems have critical deficits in foundational cognitive machinery, particularly long-term memory storage. The resulting AGI scores (e.g., GPT-4 at 27%, GPT-5 at 58%) concretely quantify both rapid progress and the substantial gap remaining before AGI.

Recent large language model (LLM) reasoning, despite its success, suffers from limited domain knowledge, susceptibility to hallucinations, and constrained reasoning depth, particularly in small-scale models deployed in resource-constrained environments. This paper presents the first investigation into integrating step-wise knowledge graph retrieval with step-wise reasoning to address these challenges, introducing a novel paradigm termed as graph-augmented reasoning. Our goal is to enable frozen, small-scale LLMs to retrieve and process relevant mathematical knowledge in a step-wise manner, enhancing their problem-solving abilities without additional training. To this end, we propose KG-RAR, a framework centered on process-oriented knowledge graph construction, a hierarchical retrieval strategy, and a universal post-retrieval processing and reward model (PRP-RM) that refines retrieved information and evaluates each reasoning step. Experiments on the Math500 and GSM8K benchmarks across six models demonstrate that KG-RAR yields encouraging results, achieving a 20.73\% relative improvement with Llama-3B on Math500.

Large Language Models(LLMs) have shown exceptional abilities, yet training these models can be quite challenging. There is a strong dependence on the quality of data and finding the best instruction tuning set. Further, the inherent limitations in training methods create substantial difficulties to train relatively smaller models with 7B and 13B parameters. In our research, we suggest an improved training method for these models by utilising knowledge from larger models, such as a mixture of experts (8x7B) architectures. The scale of these larger models allows them to capture a wide range of variations from data alone, making them effective teachers for smaller models. Moreover, we implement a novel post-training domain alignment phase that employs domain-specific expert models to boost domain-specific knowledge during training while preserving the model's ability to generalise. Fine-tuning Mistral 7B and 2x7B with our method surpasses the performance of state-of-the-art language models with more than 7B and 13B parameters: achieving up to 7.9 in MT-Bench and 93.04% on AlpacaEval.

The integration of external knowledge through Retrieval-Augmented Generation (RAG) has become foundational in enhancing large language models (LLMs) for knowledge-intensive tasks. However, existing RAG paradigms often overlook the cognitive step of applying knowledge, leaving a gap between retrieved facts and task-specific reasoning. In this work, we introduce RAG+, a principled and modular extension that explicitly incorporates application-aware reasoning into the RAG pipeline. RAG+ constructs a dual corpus consisting of knowledge and aligned application examples, created either manually or automatically, and retrieves both jointly during inference. This design enables LLMs not only to access relevant information but also to apply it within structured, goal-oriented reasoning processes. Experiments across mathematical, legal, and medical domains, conducted on multiple models, demonstrate that RAG+ consistently outperforms standard RAG variants, achieving average improvements of 3-5%, and peak gains up to 7.5% in complex scenarios. By bridging retrieval with actionable application, RAG+ advances a more cognitively grounded framework for knowledge integration, representing a step toward more interpretable and capable LLMs.

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG) framework, the study introduces an approach to process diverse combustion research data, spanning experimental studies, simulations, and literature. The multifaceted nature of combustion research emphasizes the critical role of knowledge processing in navigating and extracting valuable information from a vast and diverse pool of sources. The developed approach minimizes computational and economic expenses while optimizing data privacy and accuracy. It incorporates prompt engineering and offline open-source LLMs, offering user autonomy in selecting base models. The study provides a thorough examination of text segmentation strategies, conducts comparative studies between LLMs, and explores various optimized prompts to demonstrate the effectiveness of the framework. By incorporating an external database, the framework outperforms a conventional LLM in generating accurate responses and constructing robust arguments. Additionally, the study delves into the investigation of optimized prompt templates for the purpose of efficient extraction of scientific literature. The research addresses concerns related to hallucinations and false research articles by introducing a custom workflow developed with a detection algorithm to filter out inaccuracies. Despite identified areas for improvement, the framework consistently delivers accurate domain-specific responses with minimal human oversight. The prompt-agnostic approach introduced holds promise for future deliberations. The study underscores the significance of integrating LLMs and knowledge processing techniques in scientific research, providing a foundation for advancements in data assimilation and utilization.

Domain Adaptation (DA) facilitates knowledge transfer from a source domain to a related target domain. This paper investigates a practical DA paradigm, namely Source data-Free Active Domain Adaptation (SFADA), where source data becomes inaccessible during adaptation, and a minimum amount of annotation budget is available in the target domain. Without referencing the source data, new challenges emerge in identifying the most informative target samples for labeling, establishing cross-domain alignment during adaptation, and ensuring continuous performance improvements through the iterative query-and-adaptation process. In response, we present learn from the learnt (LFTL), a novel paradigm for SFADA to leverage the learnt knowledge from the source pretrained model and actively iterated models without extra overhead. We propose Contrastive Active Sampling to learn from the hypotheses of the preceding model, thereby querying target samples that are both informative to the current model and persistently challenging throughout active learning. During adaptation, we learn from features of actively selected anchors obtained from previous intermediate models, so that the Visual Persistence-guided Adaptation can facilitate feature distribution alignment and active sample exploitation. Extensive experiments on three widely-used benchmarks show that our LFTL achieves state-of-the-art performance, superior computational efficiency and continuous improvements as the annotation budget increases. Our code is available at https://github.com/lyumengyao/lftl.

Large Language Models (LLMs) have demonstrated unprecedented prowess across various natural language processing tasks in various application domains. Recent studies show that LLMs can be leveraged to perform lexical semantic tasks, such as Knowledge Base Completion (KBC) or Ontology Learning (OL). However, it has not effectively been verified whether their success is due to their ability to reason over unstructured or semi-structured data, or their effective learning of linguistic patterns and senses alone. This unresolved question is particularly crucial when dealing with domain-specific data, where the lexical senses and their meaning can completely differ from what a LLM has learned during its training stage. This paper investigates the following question: Do LLMs really adapt to domains and remain consistent in the extraction of structured knowledge, or do they only learn lexical senses instead of reasoning? To answer this question and, we devise a controlled experiment setup that uses WordNet to synthesize parallel corpora, with English and gibberish terms. We examine the differences in the outputs of LLMs for each corpus in two OL tasks: relation extraction and taxonomy discovery. Empirical results show that, while adapting to the gibberish corpora, off-the-shelf LLMs do not consistently reason over semantic relationships between concepts, and instead leverage senses and their frame. However, fine-tuning improves the performance of LLMs on lexical semantic tasks even when the domain-specific terms are arbitrary and unseen during pre-training, hinting at the applicability of pre-trained LLMs for OL.

In our opinion the exuberance surrounding the relative success of data-driven large language models (LLMs) is slightly misguided and for several reasons (i) LLMs cannot be relied upon for factual information since for LLMs all ingested text (factual or non-factual) was created equal; (ii) due to their subsymbolic na-ture, whatever 'knowledge' these models acquire about language will always be buried in billions of microfeatures (weights), none of which is meaningful on its own; and (iii) LLMs will often fail to make the correct inferences in several linguistic contexts (e.g., nominal compounds, copredication, quantifier scope ambi-guities, intensional contexts. Since we believe the relative success of data-driven large language models (LLMs) is not a reflection on the symbolic vs. subsymbol-ic debate but a reflection on applying the successful strategy of a bottom-up reverse engineering of language at scale, we suggest in this paper applying the effective bottom-up strategy in a symbolic setting resulting in symbolic, explainable, and ontologically grounded language models.

Semi-structured tables are ubiquitous. There has been a variety of tasks that aim to automatically interpret, augment, and query tables. Current methods often require pretraining on tables or special model architecture design, are restricted to specific table types, or have simplifying assumptions about tables and tasks. This paper makes the first step towards developing open-source large language models (LLMs) as generalists for a diversity of table-based tasks. Towards that end, we construct TableInstruct, a new dataset with a variety of realistic tables and tasks, for instruction tuning and evaluating LLMs. We further develop the first open-source generalist model for tables, TableLlama, by fine-tuning Llama 2 (7B) with LongLoRA to address the long context challenge. We experiment under both in-domain setting and out-of-domain setting. On 7 out of 8 in-domain tasks, TableLlama achieves comparable or better performance than the SOTA for each task, despite the latter often has task-specific design. On 6 out-of-domain datasets, it achieves 6-48 absolute point gains compared with the base model, showing that training on TableInstruct enhances the model's generalizability. We will open-source our dataset and trained model to boost future work on developing open generalist models for tables.

Training keyphrase generation (KPG) models require a large amount of annotated data, which can be prohibitively expensive and often limited to specific domains. In this study, we first demonstrate that large distribution shifts among different domains severely hinder the transferability of KPG models. We then propose a three-stage pipeline, which gradually guides KPG models' learning focus from general syntactical features to domain-related semantics, in a data-efficient manner. With Domain-general Phrase pre-training, we pre-train Sequence-to-Sequence models with generic phrase annotations that are widely available on the web, which enables the models to generate phrases in a wide range of domains. The resulting model is then applied in the Transfer Labeling stage to produce domain-specific pseudo keyphrases, which help adapt models to a new domain. Finally, we fine-tune the model with limited data with true labels to fully adapt it to the target domain. Our experiment results show that the proposed process can produce good-quality keyphrases in new domains and achieve consistent improvements after adaptation with limited in-domain annotated data. All code and datasets are available at https://github.com/memray/OpenNMT-kpg-release.

Chain-of-Thought (CoT) prompting enhances the reasoning of large language models (LLMs) by decomposing problems into sequential steps, mimicking human logic and reducing errors. However, complex tasks with vast solution spaces and vague constraints often exceed the capacity of a single reasoning chain. Inspired by Minimal Free Resolution (MFR) in commutative algebra and algebraic geometry, we propose Syzygy of Thoughts (SoT)-a novel framework that extends CoT by introducing auxiliary, interrelated reasoning paths. SoT captures deeper logical dependencies, enabling more robust and structured problem-solving. MFR decomposes a module into a sequence of free modules with minimal rank, providing a structured analytical approach to complex systems. This method introduces the concepts of "Module", "Betti numbers","Freeness", "Mapping", "Exactness" and "Minimality", enabling the systematic decomposition of the original complex problem into logically complete minimal subproblems while preserving key problem features and reducing reasoning length. We tested SoT across diverse datasets (e.g., GSM8K, MATH) and models (e.g., GPT-4o-mini, Qwen2.5), achieving inference accuracy that matches or surpasses mainstream CoTs standards. Additionally, by aligning the sampling process with algebraic constraints, our approach enhances the scalability of inference time in LLMs, ensuring both transparent reasoning and high performance. Our code will be publicly available at https://github.com/dlMARiA/Syzygy-of-thoughts.

Large language models (LLMs) have demonstrated remarkable capabilities in a wide range of tasks, yet their application to specialized domains remains challenging due to the need for deep expertise. Retrieval-augmented generation (RAG) has emerged as a promising solution to customize LLMs for professional fields by seamlessly integrating external knowledge bases, enabling real-time access to domain-specific expertise during inference. Despite its potential, traditional RAG systems, based on flat text retrieval, face three critical challenges: (i) complex query understanding in professional contexts, (ii) difficulties in knowledge integration across distributed sources, and (iii) system efficiency bottlenecks at scale. This survey presents a systematic analysis of Graph-based Retrieval-Augmented Generation (GraphRAG), a new paradigm that revolutionizes domain-specific LLM applications. GraphRAG addresses traditional RAG limitations through three key innovations: (i) graph-structured knowledge representation that explicitly captures entity relationships and domain hierarchies, (ii) efficient graph-based retrieval techniques that enable context-preserving knowledge retrieval with multihop reasoning ability, and (iii) structure-aware knowledge integration algorithms that leverage retrieved knowledge for accurate and logical coherent generation of LLMs. In this survey, we systematically analyze the technical foundations of GraphRAG and examine current implementations across various professional domains, identifying key technical challenges and promising research directions. All the related resources of GraphRAG, including research papers, open-source data, and projects, are collected for the community in blue{https://github.com/DEEP-PolyU/Awesome-GraphRAG}.

Hybrid search has emerged as an effective strategy to offset the limitations of different matching paradigms, especially in out-of-domain contexts where notable improvements in retrieval quality have been observed. However, existing research predominantly focuses on a limited set of retrieval methods, evaluated in pairs on domain-general datasets exclusively in English. In this work, we study the efficacy of hybrid search across a variety of prominent retrieval models within the unexplored field of law in the French language, assessing both zero-shot and in-domain scenarios. Our findings reveal that in a zero-shot context, fusing different domain-general models consistently enhances performance compared to using a standalone model, regardless of the fusion method. Surprisingly, when models are trained in-domain, we find that fusion generally diminishes performance relative to using the best single system, unless fusing scores with carefully tuned weights. These novel insights, among others, expand the applicability of prior findings across a new field and language, and contribute to a deeper understanding of hybrid search in non-English specialized domains.

Recent methods have demonstrated that Large Language Models (LLMs) can solve reasoning tasks better when they are encouraged to solve subtasks of the main task first. In this paper we devise a similar strategy that breaks down reasoning tasks into a problem decomposition phase and a problem solving phase and show that the strategy is able to outperform a single stage solution. Further, we hypothesize that the decomposition should be easier to distill into a smaller model compared to the problem solving because the latter requires large amounts of domain knowledge while the former only requires learning general problem solving strategies. We propose methods to distill these two capabilities and evaluate their impact on reasoning outcomes and inference cost. We find that we can distill the problem decomposition phase and at the same time achieve good generalization across tasks, datasets, and models. However, it is harder to distill the problem solving capability without losing performance and the resulting distilled model struggles with generalization. These results indicate that by using smaller, distilled problem decomposition models in combination with problem solving LLMs we can achieve reasoning with cost-efficient inference and local adaptation.

Hypothetical induction is recognized as the main reasoning type when scientists make observations about the world and try to propose hypotheses to explain those observations. Past research on hypothetical induction is under a constrained setting: (1) the observation annotations in the dataset are carefully manually handpicked sentences (resulting in a close-domain setting); and (2) the ground truth hypotheses are mostly commonsense knowledge, making the task less challenging. In this work, we tackle these problems by proposing the first dataset for social science academic hypotheses discovery, with the final goal to create systems that automatically generate valid, novel, and helpful scientific hypotheses, given only a pile of raw web corpus. Unlike previous settings, the new dataset requires (1) using open-domain data (raw web corpus) as observations; and (2) proposing hypotheses even new to humanity. A multi-module framework is developed for the task, including three different feedback mechanisms to boost performance, which exhibits superior performance in terms of both GPT-4 based and expert-based evaluation. To the best of our knowledge, this is the first work showing that LLMs are able to generate novel (''not existing in literature'') and valid (''reflecting reality'') scientific hypotheses.

Several recent works seek to develop foundation models specifically for medical applications, adapting general-purpose large language models (LLMs) and vision-language models (VLMs) via continued pretraining on publicly available biomedical corpora. These works typically claim that such domain-adaptive pretraining (DAPT) improves performance on downstream medical tasks, such as answering medical licensing exam questions. In this paper, we compare seven public "medical" LLMs and two VLMs against their corresponding base models, arriving at a different conclusion: all medical VLMs and nearly all medical LLMs fail to consistently improve over their base models in the zero-/few-shot prompting regime for medical question-answering (QA) tasks. For instance, across the tasks and model pairs we consider in the 3-shot setting, medical LLMs only outperform their base models in 12.1% of cases, reach a (statistical) tie in 49.8% of cases, and are significantly worse than their base models in the remaining 38.2% of cases. Our conclusions are based on (i) comparing each medical model head-to-head, directly against the corresponding base model; (ii) optimizing the prompts for each model separately; and (iii) accounting for statistical uncertainty in comparisons. While these basic practices are not consistently adopted in the literature, our ablations show that they substantially impact conclusions. Our findings suggest that state-of-the-art general-domain models may already exhibit strong medical knowledge and reasoning capabilities, and offer recommendations to strengthen the conclusions of future studies.

Graph retrieval-augmented generation (GraphRAG) has effectively enhanced large language models in complex reasoning by organizing fragmented knowledge into explicitly structured graphs. Prior efforts have been made to improve either graph construction or graph retrieval in isolation, yielding suboptimal performance, especially when domain shifts occur. In this paper, we propose a vertically unified agentic paradigm, Youtu-GraphRAG, to jointly connect the entire framework as an intricate integration. Specifically, (i) a seed graph schema is introduced to bound the automatic extraction agent with targeted entity types, relations and attribute types, also continuously expanded for scalability over unseen domains; (ii) To obtain higher-level knowledge upon the schema, we develop novel dually-perceived community detection, fusing structural topology with subgraph semantics for comprehensive knowledge organization. This naturally yields a hierarchical knowledge tree that supports both top-down filtering and bottom-up reasoning with community summaries; (iii) An agentic retriever is designed to interpret the same graph schema to transform complex queries into tractable and parallel sub-queries. It iteratively performs reflection for more advanced reasoning; (iv) To alleviate the knowledge leaking problem in pre-trained LLM, we propose a tailored anonymous dataset and a novel 'Anonymity Reversion' task that deeply measures the real performance of the GraphRAG frameworks. Extensive experiments across six challenging benchmarks demonstrate the robustness of Youtu-GraphRAG, remarkably moving the Pareto frontier with up to 90.71% saving of token costs and 16.62% higher accuracy over state-of-the-art baselines. The results indicate our adaptability, allowing seamless domain transfer with minimal intervention on schema.

Large Language Models (LLMs), like LLaMA, have exhibited remarkable performance across various tasks. Nevertheless, when deployed to specific domains such as law or medicine, the models still confront the challenge of a deficiency in domain-specific knowledge and an inadequate capability to leverage that knowledge to resolve domain-related problems. In this paper, we propose a new framework to adapt LLMs to specific domains and build Lawyer LLaMA, a legal domain LLM, based on this framework. Specifically, we inject domain knowledge during the continual training stage and teach the model to learn professional skills using properly designed supervised fine-tuning tasks. Moreover, to alleviate the hallucination problem during the model's generation, we add a retrieval module and extract relevant legal articles before the model answers any queries. When learning domain-specific skills, we find that experts' experience is much more useful than experiences distilled from ChatGPT, where hundreds of expert-written data outperform tens of thousands of ChatGPT-generated ones. We will release our model and data.

In math reasoning with large language models (LLMs), fine-tuning data augmentation by query evolution and diverse reasoning paths is empirically verified effective, profoundly narrowing the gap between open-sourced LLMs and cutting-edge proprietary LLMs. In this paper, we conduct an investigation for such data augmentation in math reasoning and are intended to answer: (1) What strategies of data augmentation are more effective; (2) What is the scaling relationship between the amount of augmented data and model performance; and (3) Can data augmentation incentivize generalization to out-of-domain mathematical reasoning tasks? To this end, we create a new dataset, AugGSM8K, by complicating and diversifying the queries from GSM8K and sampling multiple reasoning paths. We obtained a series of LLMs called MuggleMath by fine-tuning on subsets of AugGSM8K. MuggleMath substantially achieves new state-of-the-art on GSM8K (from 54% to 68.4% at the scale of 7B, and from 63.9% to 74.0% at the scale of 13B). A log-linear relationship is presented between MuggleMath's performance and the amount of augmented data. We also find that MuggleMath is weak in out-of-domain math reasoning generalization to MATH. This is attributed to the differences in query distribution between AugGSM8K and MATH which suggest that augmentation on a single benchmark could not help with overall math reasoning performance. Codes and AugGSM8K will be uploaded to https://github.com/OFA-Sys/gsm8k-ScRel.

In this paper, we aim to establish a simple, effective, and theoretically grounded benchmark for rigorously probing abstract reasoning in Large Language Models (LLMs). To achieve this, we first develop a mathematic framework that defines abstract reasoning as the ability to: (i) extract essential patterns independent of surface representations, and (ii) apply consistent rules to these abstract patterns. Based on this framework, we introduce two novel complementary metrics: \(\scoreGamma\) measures basic reasoning accuracy, while \(\scoreDelta\) quantifies a model's reliance on specific symbols rather than underlying patterns - a key indicator of true abstraction versus mere memorization. To implement this measurement, we design a benchmark: systematic symbol remapping in rule-based tasks, which forces models to demonstrate genuine pattern recognition beyond superficial token matching. Extensive LLM evaluations using this benchmark (commercial API models, 7B-70B, multi-agent) reveal:1) critical limitations in non-decimal arithmetic and symbolic reasoning; 2) persistent abstraction gaps despite chain-of-thought prompting; and 3) \(\scoreDelta\)'s effectiveness in robustly measuring memory dependence by quantifying performance degradation under symbol remapping, particularly highlighting operand-specific memorization. These findings underscore that current LLMs, despite domain-specific strengths, still lack robust abstract reasoning, highlighting key areas for future improvement.

Recent studies on reasoning models explore the meta-awareness of language models, the ability to know how to think by itself. We argue that large reasoning models lack this meta-awareness property by proving severe misalignment between true rollouts and predicted meta information. We posit that aligning meta-prediction with true rollouts will lead to significant performance gains. To verify this hypothesis, we design a training pipeline that boosts Meta-Awareness via Self-Alignment (MASA), and prove that enhanced meta-awareness directly translates to improved accuracy. Unlike existing meta-cognitive reasoning models, our method does not require external training sources but leverages self-generated signals to train meta-awareness. Moreover, our method enables efficient training by i) filtering out zero-variance prompts that are either trivial or unsolvable and ii) cutting off lengthy rollouts when they are unlikely to lead to correct answers. The results are inspiring: our strategy yields significant improvements in both accuracy and training efficiency on in-domain tasks and shows strong generalization to out-of-domain benchmarks. More specifically, our method can speed up GRPO training by over 1.28x to reach the same performance, and achieve a 19.3% gain in accuracy on AIME25, and a 6.2 % average gain over six mathematics benchmarks. Training with meta-cognitive guidance enhances out-of-domain generalization, giving a 3.87 % boost on GPQA-Diamond and a 2.08 % overall accuracy gain across 13 benchmarks spanning logical, scientific, and coding domains.

Large language models (LLMs) are powerful AI tools that can generate and comprehend natural language text and other complex information. However, the field lacks a mathematical framework to systematically describe, compare and improve LLMs. We propose Hex a framework that clarifies key terms and concepts in LLM research, such as hallucinations, alignment, self-verification and chain-of-thought reasoning. The Hex framework offers a precise and consistent way to characterize LLMs, identify their strengths and weaknesses, and integrate new findings. Using Hex, we differentiate chain-of-thought reasoning from chain-of-thought prompting and establish the conditions under which they are equivalent. This distinction clarifies the basic assumptions behind chain-of-thought prompting and its implications for methods that use it, such as self-verification and prompt programming. Our goal is to provide a formal framework for LLMs that can help both researchers and practitioners explore new possibilities for generative AI. We do not claim to have a definitive solution, but rather a tool for opening up new research avenues. We argue that our formal definitions and results are crucial for advancing the discussion on how to build generative AI systems that are safe, reliable, fair and robust, especially in domains like healthcare and software engineering.

In most current research, large language models (LLMs) are able to perform reasoning tasks by generating chains of thought through the guidance of specific prompts. However, there still exists a significant discrepancy between their capability in solving complex reasoning problems and that of humans. At present, most approaches focus on chains of thought (COT) and tool use, without considering the adoption and application of human cognitive frameworks. It is well-known that when confronting complex reasoning challenges, humans typically employ various cognitive abilities, and necessitate interaction with all aspects of tools, knowledge, and the external environment information to accomplish intricate tasks. This paper introduces a novel intelligent framework, referred to as OlaGPT. OlaGPT carefully studied a cognitive architecture framework, and propose to simulate certain aspects of human cognition. The framework involves approximating different cognitive modules, including attention, memory, reasoning, learning, and corresponding scheduling and decision-making mechanisms. Inspired by the active learning mechanism of human beings, it proposes a learning unit to record previous mistakes and expert opinions, and dynamically refer to them to strengthen their ability to solve similar problems. The paper also outlines common effective reasoning frameworks for human problem-solving and designs Chain-of-Thought (COT) templates accordingly. A comprehensive decision-making mechanism is also proposed to maximize model accuracy. The efficacy of OlaGPT has been stringently evaluated on multiple reasoning datasets, and the experimental outcomes reveal that OlaGPT surpasses state-of-the-art benchmarks, demonstrating its superior performance. Our implementation of OlaGPT is available on GitHub: https://github.com/oladata-team/OlaGPT.

We propose a new approach to promote safety in classification tasks with established concepts. Our approach -- called a conceptual safeguard -- acts as a verification layer for models that predict a target outcome by first predicting the presence of intermediate concepts. Given this architecture, a safeguard ensures that a model meets a minimal level of accuracy by abstaining from uncertain predictions. In contrast to a standard selective classifier, a safeguard provides an avenue to improve coverage by allowing a human to confirm the presence of uncertain concepts on instances on which it abstains. We develop methods to build safeguards that maximize coverage without compromising safety, namely techniques to propagate the uncertainty in concept predictions and to flag salient concepts for human review. We benchmark our approach on a collection of real-world and synthetic datasets, showing that it can improve performance and coverage in deep learning tasks.

Recently, there has been a surge of interest in Multi-Target Cross-Domain Recommendation (MTCDR), which aims to enhance recommendation performance across multiple domains simultaneously. Existing MTCDR methods primarily rely on domain-shared entities (\eg users or items) to fuse and transfer cross-domain knowledge, which may be unavailable in non-overlapped recommendation scenarios. Some studies model user preferences and item features as domain-sharable semantic representations, which can be utilized to tackle the MTCDR task. Nevertheless, they often require extensive auxiliary data for pre-training. Developing more effective solutions for MTCDR remains an important area for further exploration. Inspired by recent advancements in generative recommendation, this paper introduces GMC, a generative paradigm-based approach for multi-target cross-domain recommendation. The core idea of GMC is to leverage semantically quantized discrete item identifiers as a medium for integrating multi-domain knowledge within a unified generative model. GMC first employs an item tokenizer to generate domain-shared semantic identifiers for each item, and then formulates item recommendation as a next-token generation task by training a domain-unified sequence-to-sequence model. To further leverage the domain information to enhance performance, we incorporate a domain-aware contrastive loss into the semantic identifier learning, and perform domain-specific fine-tuning on the unified recommender. Extensive experiments on five public datasets demonstrate the effectiveness of GMC compared to a range of baseline methods.

Large language model (LLM) performance on reasoning problems typically does not generalize out of distribution. Previous work has claimed that this can be mitigated by modifying prompts to include examples with chains of thought--demonstrations of solution procedures--with the intuition that it is possible to in-context teach an LLM an algorithm for solving the problem. This paper presents a case study of chain of thought on problems from Blocksworld, a classical planning domain, and examine the performance of two state-of-the-art LLMs across two axes: generality of examples given in prompt, and complexity of problems queried with each prompt. While our problems are very simple, we only find meaningful performance improvements from chain of thought prompts when those prompts are exceedingly specific to their problem class, and that those improvements quickly deteriorate as the size n of the query-specified stack grows past the size of stacks shown in the examples. Our results hint that, contrary to previous claims in the literature, CoT's performance improvements do not stem from the model learning general algorithmic procedures via demonstrations and depend on carefully engineering highly problem specific prompts. This spotlights drawbacks of chain of thought, especially because of the sharp tradeoff between possible performance gains and the amount of human labor necessary to generate examples with correct reasoning traces.

Large Language Models (LLMs) have demonstrated promising capabilities in solving mathematical reasoning tasks, leveraging Chain-of-Thought (CoT) data as a vital component in guiding answer generation. Current paradigms typically generate CoT and answers directly for a given problem, diverging from human problem-solving strategies to some extent. Humans often solve problems by recalling analogous cases and leveraging their solutions to reason about the current task. Inspired by this cognitive process, we propose MetaLadder, a novel framework that explicitly prompts LLMs to recall and reflect on meta-problems, those structurally or semantically analogous problems, alongside their CoT solutions before addressing the target problem. Additionally, we introduce a problem-restating mechanism to enhance the model's comprehension of the target problem by regenerating the original question, which further improves reasoning accuracy. Therefore, the model can achieve reasoning transfer from analogical problems, mimicking human-like "learning from examples" and generalization abilities. Extensive experiments on mathematical benchmarks demonstrate that our MetaLadder significantly boosts LLMs' problem-solving accuracy, largely outperforming standard CoT-based methods (10.3\% accuracy gain) and other methods. Our code and data has been released at https://github.com/LHL3341/MetaLadder.

Recent advancements have positioned AI, and particularly Large Language Models (LLMs), as transformative tools for scientific research, capable of addressing complex tasks that require reasoning, problem-solving, and decision-making. Their exceptional capabilities suggest their potential as scientific research assistants but also highlight the need for holistic, rigorous, and domain-specific evaluation to assess effectiveness in real-world scientific applications. This paper describes a multifaceted methodology for Evaluating AI models as scientific Research Assistants (EAIRA) developed at Argonne National Laboratory. This methodology incorporates four primary classes of evaluations. 1) Multiple Choice Questions to assess factual recall; 2) Open Response to evaluate advanced reasoning and problem-solving skills; 3) Lab-Style Experiments involving detailed analysis of capabilities as research assistants in controlled environments; and 4) Field-Style Experiments to capture researcher-LLM interactions at scale in a wide range of scientific domains and applications. These complementary methods enable a comprehensive analysis of LLM strengths and weaknesses with respect to their scientific knowledge, reasoning abilities, and adaptability. Recognizing the rapid pace of LLM advancements, we designed the methodology to evolve and adapt so as to ensure its continued relevance and applicability. This paper describes the methodology state at the end of February 2025. Although developed within a subset of scientific domains, the methodology is designed to be generalizable to a wide range of scientific domains.

Supervised fine-tuning (SFT) is widely used to align large language models (LLMs) with information extraction (IE) tasks, such as named entity recognition (NER). However, annotating such fine-grained labels and training domain-specific models is costly. Existing works typically train a unified model across multiple domains, but such approaches lack adaptation and scalability since not all training data benefits target domains and scaling trained models remains challenging. We propose the SaM framework, which dynamically Selects and Merges expert models at inference time. Specifically, for a target domain, we select domain-specific experts pre-trained on existing domains based on (i) domain similarity to the target domain and (ii) performance on sampled instances, respectively. The experts are then merged to create task-specific models optimized for the target domain. By dynamically merging experts beneficial to target domains, we improve generalization across various domains without extra training. Additionally, experts can be added or removed conveniently, leading to great scalability. Extensive experiments on multiple benchmarks demonstrate our framework's effectiveness, which outperforms the unified model by an average of 10%. We further provide insights into potential improvements, practical experience, and extensions of our framework.

Large Language Models (LLMs) have demonstrated impressive real-world utility, exemplifying artificial useful intelligence (AUI). However, their ability to reason adaptively and robustly -- the hallmarks of artificial general intelligence (AGI) -- remains fragile. While LLMs seemingly succeed in commonsense reasoning, programming, and mathematics, they struggle to generalize algorithmic understanding across novel contexts. Our experiments with algorithmic tasks in esoteric programming languages reveal that LLM's reasoning overfits to the training data and is limited in its transferability. We hypothesize that the core issue underlying such limited transferability is the coupling of reasoning and knowledge in LLMs. To transition from AUI to AGI, we propose disentangling knowledge and reasoning through three key directions: (1) pretaining to reason using RL from scratch as an alternative to the widely used next-token prediction pretraining, (2) using a curriculum of synthetic tasks to ease the learning of a reasoning prior for RL that can then be transferred to natural language tasks, and (3) learning more generalizable reasoning functions using a small context window to reduce exploiting spurious correlations between tokens. Such a reasoning system coupled with a trained retrieval system and a large external memory bank as a knowledge store can overcome several limitations of existing architectures at learning to reason in novel scenarios.

Large language models (LLMs) excel at complex reasoning tasks but remain computationally expensive, limiting their practical deployment. To address this, recent works have focused on distilling reasoning capabilities into smaller language models (sLMs) using chain-of-thought (CoT) traces from teacher LLMs. However, this approach struggles in scenarios requiring rare factual knowledge or precise computation, where sLMs often hallucinate due to limited capability. In this work, we propose Agent Distillation, a framework for transferring not only reasoning capability but full task-solving behavior from LLM-based agents into sLMs with retrieval and code tools. We improve agent distillation along two complementary axes: (1) we introduce a prompting method called first-thought prefix to enhance the quality of teacher-generated trajectories; and (2) we propose a self-consistent action generation for improving test-time robustness of small agents. We evaluate our method on eight reasoning tasks across factual and mathematical domains, covering both in-domain and out-of-domain generalization. Our results show that sLMs as small as 0.5B, 1.5B, 3B parameters can achieve performance competitive with next-tier larger 1.5B, 3B, 7B models fine-tuned using CoT distillation, demonstrating the potential of agent distillation for building practical, tool-using small agents. Our code is available at https://github.com/Nardien/agent-distillation.

Domain-specific data is the crux of the successful transfer of machine learning systems from benchmarks to real life. In simple problems such as image classification, crowdsourcing has become one of the standard tools for cheap and time-efficient data collection: thanks in large part to advances in research on aggregation methods. However, the applicability of crowdsourcing to more complex tasks (e.g., speech recognition) remains limited due to the lack of principled aggregation methods for these modalities. The main obstacle towards designing aggregation methods for more advanced applications is the absence of training data, and in this work, we focus on bridging this gap in speech recognition. For this, we collect and release CrowdSpeech -- the first publicly available large-scale dataset of crowdsourced audio transcriptions. Evaluation of existing and novel aggregation methods on our data shows room for improvement, suggesting that our work may entail the design of better algorithms. At a higher level, we also contribute to the more general challenge of developing the methodology for reliable data collection via crowdsourcing. In that, we design a principled pipeline for constructing datasets of crowdsourced audio transcriptions in any novel domain. We show its applicability on an under-resourced language by constructing VoxDIY -- a counterpart of CrowdSpeech for the Russian language. We also release the code that allows a full replication of our data collection pipeline and share various insights on best practices of data collection via crowdsourcing.

Answering counterfactual queries has many important applications such as knowledge discovery and explainability, but is challenging when causal variables are unobserved and we only see a projection onto an observation space, for instance, image pixels. One approach is to recover the latent Structural Causal Model (SCM), but this typically needs unrealistic assumptions, such as linearity of the causal mechanisms. Another approach is to use na\"ive ML approximations, such as generative models, to generate counterfactual samples; however, these lack guarantees of accuracy. In this work, we strive to strike a balance between practicality and theoretical guarantees by focusing on a specific type of causal query called domain counterfactuals, which hypothesizes what a sample would have looked like if it had been generated in a different domain (or environment). Concretely, by only assuming invertibility, sparse domain interventions and access to observational data from different domains, we aim to improve domain counterfactual estimation both theoretically and practically with less restrictive assumptions. We define domain counterfactually equivalent models and prove necessary and sufficient properties for equivalent models that provide a tight characterization of the domain counterfactual equivalence classes. Building upon this result, we prove that every equivalence class contains a model where all intervened variables are at the end when topologically sorted by the causal DAG. This surprising result suggests that a model design that only allows intervention in the last k latent variables may improve model estimation for counterfactuals. We then test this model design on extensive simulated and image-based experiments which show the sparse canonical model indeed improves counterfactual estimation over baseline non-sparse models.

The rapid advancement of large language models(LLMs) has intensified the need for domain and culture specific evaluation. Existing benchmarks are largely Anglocentric and domain-agnostic, limiting their applicability to India-centric contexts. To address this gap, we introduce BhashaBench V1, the first domain-specific, multi-task, bilingual benchmark focusing on critical Indic knowledge systems. BhashaBench V1 contains 74,166 meticulously curated question-answer pairs, with 52,494 in English and 21,672 in Hindi, sourced from authentic government and domain-specific exams. It spans four major domains: Agriculture, Legal, Finance, and Ayurveda, comprising 90+ subdomains and covering 500+ topics, enabling fine-grained evaluation. Evaluation of 29+ LLMs reveals significant domain and language specific performance gaps, with especially large disparities in low-resource domains. For instance, GPT-4o achieves 76.49% overall accuracy in Legal but only 59.74% in Ayurveda. Models consistently perform better on English content compared to Hindi across all domains. Subdomain-level analysis shows that areas such as Cyber Law, International Finance perform relatively well, while Panchakarma, Seed Science, and Human Rights remain notably weak. BhashaBench V1 provides a comprehensive dataset for evaluating large language models across India's diverse knowledge domains. It enables assessment of models' ability to integrate domain-specific knowledge with bilingual understanding. All code, benchmarks, and resources are publicly available to support open research.

Human reasoning relies on constructing and manipulating mental models-simplified internal representations of situations that we use to understand and solve problems. Conceptual diagrams (for example, sketches drawn by humans to aid reasoning) externalize these mental models, abstracting irrelevant details to efficiently capture relational and spatial information. In contrast, Large Language Models (LLMs) and Large Multimodal Models (LMMs) predominantly reason through textual representations, limiting their effectiveness in complex multi-step combinatorial and planning tasks. In this paper, we propose a zero-shot fully automatic framework that enables LMMs to reason through multiple chains of self-generated intermediate conceptual diagrams, significantly enhancing their combinatorial planning capabilities. Our approach does not require any human initialization beyond a natural language description of the task. It integrates both textual and diagrammatic reasoning within an optimized graph-of-thought inference framework, enhanced by beam search and depth-wise backtracking. Evaluated on multiple challenging PDDL planning domains, our method substantially improves GPT-4o's performance (for example, from 35.5% to 90.2% in Blocksworld). On more difficult planning domains with solution depths up to 40, our approach outperforms even the o1-preview reasoning model (for example, over 13% improvement in Parking). These results highlight the value of conceptual diagrams as a complementary reasoning medium in LMMs.

Recent breakthroughs in large language models (LLMs) exemplified by the impressive mathematical and scientific reasoning capabilities of the o1 model have spotlighted the critical importance of high-quality training data in advancing LLM performance across STEM disciplines. While the mathematics community has benefited from a growing body of curated datasets, the scientific domain at the higher education level has long suffered from a scarcity of comparable resources. To address this gap, we present SCP-116K, a new large-scale dataset of 116,756 high-quality problem-solution pairs, automatically extracted from heterogeneous sources using a streamlined and highly generalizable pipeline. Our approach involves stringent filtering to ensure the scientific rigor and educational level of the extracted materials, while maintaining adaptability for future expansions or domain transfers. By openly releasing both the dataset and the extraction pipeline, we seek to foster research on scientific reasoning, enable comprehensive performance evaluations of new LLMs, and lower the barrier to replicating the successes of advanced models like o1 in the broader science community. We believe SCP-116K will serve as a critical resource, catalyzing progress in high-level scientific reasoning tasks and promoting further innovations in LLM development. The dataset and code are publicly available at https://github.com/AQA6666/SCP-116K-open.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy. Our code can be found at https://github.com/plai-group/gsdm.

Chain-of-thought reasoning, a cognitive process fundamental to human intelligence, has garnered significant attention in the realm of artificial intelligence and natural language processing. However, there still remains a lack of a comprehensive survey for this arena. To this end, we take the first step and present a thorough survey of this research field carefully and widely. We use X-of-Thought to refer to Chain-of-Thought in a broad sense. In detail, we systematically organize the current research according to the taxonomies of methods, including XoT construction, XoT structure variants, and enhanced XoT. Additionally, we describe XoT with frontier applications, covering planning, tool use, and distillation. Furthermore, we address challenges and discuss some future directions, including faithfulness, multi-modal, and theory. We hope this survey serves as a valuable resource for researchers seeking to innovate within the domain of chain-of-thought reasoning.

Large Language Models (LLMs) have shown excellent performance in language understanding, text generation, code synthesis, and many other tasks, while they still struggle in complex multi-step reasoning problems, such as mathematical reasoning. In this paper, through a newly proposed arithmetical puzzle problem, we show that the model can perform well on multi-step reasoning tasks via fine-tuning on high-quality synthetic data. Experimental results with the open-llama-3B model on three different test datasets show that not only the model can reach a zero-shot pass@1 at 0.44 on the in-domain dataset, it also demonstrates certain generalization capabilities on the out-of-domain datasets. Specifically, this paper has designed two out-of-domain datasets in the form of extending the numerical range and the composing components of the arithmetical puzzle problem separately. The fine-tuned models have shown encouraging performance on these two far more difficult tasks with the zero-shot pass@1 at 0.33 and 0.35, respectively.

The Chain-of-Thought (CoT) paradigm has become a pivotal method for solving complex problems with large language models (LLMs). However, its application to domain-specific tasks remains challenging, as LLMs often fail to decompose tasks accurately or execute subtasks effectively. This paper introduces the Re-TASK framework, a novel theoretical model that revisits LLM tasks from capability, skill, and knowledge perspectives, drawing on the principles of Bloom's Taxonomy and Knowledge Space Theory. While CoT provides a workflow-centric perspective on tasks, Re-TASK introduces a Chain-of-Learning (CoL) paradigm that highlights task dependencies on specific capability items, further broken down into their constituent knowledge and skill components. To address CoT failures, we propose a Re-TASK prompting strategy, which strengthens task-relevant capabilities through targeted knowledge injection and skill adaptation. Experiments across diverse domains demonstrate the effectiveness of Re-TASK. In particular, we achieve improvements of 45.00% on Yi-1.5-9B and 24.50% on Llama3-Chinese-8B for legal tasks. These results highlight the potential of Re-TASK to significantly enhance LLM performance and its applicability in specialized domains. We release our code and data at https://github.com/Uylee/Re-TASK.

Retrieval-augmented generation (RAG) has become a dominant paradigm for mitigating knowledge hallucination and staleness in large language models (LLMs) while preserving data security. By retrieving relevant evidence from private, domain-specific corpora and injecting it into carefully engineered prompts, RAG delivers trustworthy responses without the prohibitive cost of fine-tuning. Traditional retrieval-augmented generation (RAG) systems are text-only and often rely on a single storage backend, most commonly a vector database. In practice, this monolithic design suffers from unavoidable trade-offs: vector search captures semantic similarity yet loses global context; knowledge graphs excel at relational precision but struggle with recall; full-text indexes are fast and exact yet semantically blind; and relational engines such as MySQL provide strong transactional guarantees but no semantic understanding. We argue that these heterogeneous retrieval paradigms are complementary, and propose a principled fusion scheme to orchestrate them synergistically, mitigating the weaknesses of any single modality. In this work we introduce HetaRAG, a hybrid, deep-retrieval augmented generation framework that orchestrates cross-modal evidence from heterogeneous data stores. We plan to design a system that unifies vector indices, knowledge graphs, full-text engines, and structured databases into a single retrieval plane, dynamically routing and fusing evidence to maximize recall, precision, and contextual fidelity. To achieve this design goal, we carried out preliminary explorations and constructed an initial RAG pipeline; this technical report provides a brief overview. The partial code is available at https://github.com/KnowledgeXLab/HetaRAG.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

Large Language Models (LLMs) perform well on familiar queries but struggle with specialized or emerging topics. Graph-based Retrieval-Augmented Generation (GraphRAG) addresses this by structuring domain knowledge as a graph for dynamic retrieval. However, existing pipelines involve complex engineering workflows, making it difficult to isolate the impact of individual components. Evaluating retrieval effectiveness is also challenging due to dataset overlap with LLM pretraining data. In this work, we introduce HuixiangDou2, a robustly optimized GraphRAG framework. Specifically, we leverage the effectiveness of dual-level retrieval and optimize its performance in a 32k context for maximum precision, and compare logic-based retrieval and dual-level retrieval to enhance overall functionality. Our implementation includes comparative experiments on a test set, where Qwen2.5-7B-Instruct initially underperformed. With our approach, the score improved significantly from 60 to 74.5, as illustrated in the Figure. Experiments on domain-specific datasets reveal that dual-level retrieval enhances fuzzy matching, while logic-form retrieval improves structured reasoning. Furthermore, we propose a multi-stage verification mechanism to improve retrieval robustness without increasing computational cost. Empirical results show significant accuracy gains over baselines, highlighting the importance of adaptive retrieval. To support research and adoption, we release HuixiangDou2 as an open-source resource https://github.com/tpoisonooo/huixiangdou2.

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

We introduce the Probabilistic Worldbuilding Model (PWM), a new fully-symbolic Bayesian model of semantic parsing and reasoning, as a first step in a research program toward more domain- and task-general NLU and AI. Humans create internal mental models of their observations which greatly aid in their ability to understand and reason about a large variety of problems. In PWM, the meanings of sentences, acquired facts about the world, and intermediate steps in reasoning are all expressed in a human-readable formal language, with the design goal of interpretability. PWM is Bayesian, designed specifically to be able to generalize to new domains and new tasks. We derive and implement an inference algorithm that reads sentences by parsing and abducing updates to its latent world model that capture the semantics of those sentences, and evaluate it on two out-of-domain question-answering datasets: (1) ProofWriter and (2) a new dataset we call FictionalGeoQA, designed to be more representative of real language but still simple enough to focus on evaluating reasoning ability, while being robust against heuristics. Our method outperforms baselines on both, thereby demonstrating its value as a proof-of-concept.

In this work, we focus on the problem of retrieving relevant arguments for a query claim covering diverse aspects. State-of-the-art methods rely on explicit mappings between claims and premises, and thus are unable to utilize large available collections of premises without laborious and costly manual annotation. Their diversity approach relies on removing duplicates via clustering which does not directly ensure that the selected premises cover all aspects. This work introduces a new multi-step approach for the argument retrieval problem. Rather than relying on ground-truth assignments, our approach employs a machine learning model to capture semantic relationships between arguments. Beyond that, it aims to cover diverse facets of the query, instead of trying to identify duplicates explicitly. Our empirical evaluation demonstrates that our approach leads to a significant improvement in the argument retrieval task even though it requires less data.

Current general-purpose large language models (LLMs) commonly exhibit knowledge hallucination and insufficient domain-specific adaptability in domain-specific tasks, limiting their effectiveness in specialized question answering scenarios. Retrieval-augmented generation (RAG) effectively tackles these challenges by integrating external knowledge to enhance accuracy and relevance. However, traditional RAG still faces limitations in domain knowledge accuracy and context modeling.To enhance domain-specific question answering performance, this work focuses on a graph-based RAG framework, emphasizing the critical role of knowledge graph quality during the generation process. We propose DSRAG (Domain-Specific RAG), a multimodal knowledge graph-driven retrieval-augmented generation framework designed for domain-specific applications. Our approach leverages domain-specific documents as the primary knowledge source, integrating heterogeneous information such as text, images, and tables to construct a multimodal knowledge graph covering both conceptual and instance layers. Building on this foundation, we introduce semantic pruning and structured subgraph retrieval mechanisms, combining knowledge graph context and vector retrieval results to guide the language model towards producing more reliable responses. Evaluations using the Langfuse multidimensional scoring mechanism show that our method excels in domain-specific question answering, validating the efficacy of integrating multimodal knowledge graphs with retrieval-augmented generation.

This work investigates the applicability of recent generative Large Language Models (LLMs), such as the GPT series and Flan-T5, to ontology alignment for identifying concept equivalence mappings across ontologies. To test the zero-shot performance of Flan-T5-XXL and GPT-3.5-turbo, we leverage challenging subsets from two equivalence matching datasets of the OAEI Bio-ML track, taking into account concept labels and structural contexts. Preliminary findings suggest that LLMs have the potential to outperform existing ontology alignment systems like BERTMap, given careful framework and prompt design.

The emergence of Large Language Models (LLMs) has fundamentally transformed natural language processing, making them indispensable across domains ranging from conversational systems to scientific exploration. However, their pre-trained architectures often reveal limitations in specialized contexts, including restricted reasoning capacities, ethical uncertainties, and suboptimal domain-specific performance. These challenges necessitate advanced post-training language models (PoLMs) to address these shortcomings, such as OpenAI-o1/o3 and DeepSeek-R1 (collectively known as Large Reasoning Models, or LRMs). This paper presents the first comprehensive survey of PoLMs, systematically tracing their evolution across five core paradigms: Fine-tuning, which enhances task-specific accuracy; Alignment, which ensures alignment with human preferences; Reasoning, which advances multi-step inference despite challenges in reward design; Efficiency, which optimizes resource utilization amidst increasing complexity; and Integration and Adaptation, which extend capabilities across diverse modalities while addressing coherence issues. Charting progress from ChatGPT's foundational alignment strategies to DeepSeek-R1's innovative reasoning advancements, we illustrate how PoLMs leverage datasets to mitigate biases, deepen reasoning capabilities, and enhance domain adaptability. Our contributions include a pioneering synthesis of PoLM evolution, a structured taxonomy categorizing techniques and datasets, and a strategic agenda emphasizing the role of LRMs in improving reasoning proficiency and domain flexibility. As the first survey of its scope, this work consolidates recent PoLM advancements and establishes a rigorous intellectual framework for future research, fostering the development of LLMs that excel in precision, ethical robustness, and versatility across scientific and societal applications.

Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that regular GNNs lack the ability to systematically generalize from training examples on test graphs requiring longer inference chains, which fundamentally limits their reasoning abilities. A common solution relies on neuro-symbolic methods that systematically reason by learning rules, but their scalability is often limited and they tend to make unrealistically strong assumptions, e.g.\ that the answer can always be inferred from a single relational path. We propose the Epistemic GNN (EpiGNN), a novel parameter-efficient and scalable GNN architecture with an epistemic inductive bias for systematic reasoning. Node embeddings in EpiGNNs are treated as epistemic states, and message passing is implemented accordingly. We show that EpiGNNs achieve state-of-the-art results on link prediction tasks that require systematic reasoning. Furthermore, for inductive knowledge graph completion, EpiGNNs rival the performance of state-of-the-art specialized approaches. Finally, we introduce two new benchmarks that go beyond standard relational reasoning by requiring the aggregation of information from multiple paths. Here, existing neuro-symbolic approaches fail, yet EpiGNNs learn to reason accurately. Code and datasets are available at https://github.com/erg0dic/gnn-sg.

Large Language Models (LLMs) have achieved impressive performance on complex reasoning tasks with Chain-of-Thought (CoT) prompting. However, conventional CoT relies on reasoning steps explicitly verbalized in natural language, introducing inefficiencies and limiting its applicability to abstract reasoning. To address this, there has been growing research interest in latent CoT reasoning, where inference occurs within latent spaces. By decoupling reasoning from language, latent reasoning promises richer cognitive representations and more flexible, faster inference. Researchers have explored various directions in this promising field, including training methodologies, structural innovations, and internal reasoning mechanisms. This paper presents a comprehensive overview and analysis of this reasoning paradigm. We begin by proposing a unified taxonomy from four perspectives: token-wise strategies, internal mechanisms, analysis, and applications. We then provide in-depth discussions and comparative analyses of representative methods, highlighting their design patterns, strengths, and open challenges. We aim to provide a structured foundation for advancing this emerging direction in LLM reasoning. The relevant papers will be regularly updated at https://github.com/EIT-NLP/Awesome-Latent-CoT.

Large language models (LLMs) are capable of answering knowledge-intensive complex questions with chain-of-thought (CoT) reasoning. However, they tend to generate factually incorrect reasoning steps when the required knowledge is not available or up-to-date in models' parameters. Recent works turn to retrieving external knowledge to augment CoT reasoning. Despite being promising, these chain-based methods suffer from: 1) Negative retrieval. Unnecessary or incorrect retrieval may mislead the reasoning; 2) Limited sight. Lacking the ability to look backward or forward, a local error in one step will propagate along the chain. In this paper, we propose a novel approach: Probabilistic Tree-of-thought Reasoning (ProbTree). First, LLMs translate a complex question into a query tree, in which each non-root node denotes a sub-question of its parent node. Then, probabilistic reasoning is conducted over the tree, by solving questions from leaf to root considering the confidence of both question decomposing and answering. During reasoning, for leaf nodes, LLMs choose a more confident answer from Closed-book QA that employs parametric knowledge and Open-book QA that employs retrieved external knowledge, thus eliminating the negative retrieval problem. For non-leaf nodes, with the hierarchical structure, LLMs have broader sights and are able to globally reason with the information from child nodes, thus recovering from local errors. The experiments on three Complex QA datasets under the open-domain setting show that our approach outperforms SOTA methods significantly, demonstrating the effect of probabilistic tree-of-thought reasoning.

Open-domain code generation aims to generate code in a general-purpose programming language (such as Python) from natural language (NL) intents. Motivated by the intuition that developers usually retrieve resources on the web when writing code, we explore the effectiveness of incorporating two varieties of external knowledge into NL-to-code generation: automatically mined NL-code pairs from the online programming QA forum StackOverflow and programming language API documentation. Our evaluations show that combining the two sources with data augmentation and retrieval-based data re-sampling improves the current state-of-the-art by up to 2.2% absolute BLEU score on the code generation testbed CoNaLa. The code and resources are available at https://github.com/neulab/external-knowledge-codegen.

One of the main methods for computational interpretation of a text is mapping it into a vector in some embedding space. Such vectors can then be used for a variety of textual processing tasks. Recently, most embedding spaces are a product of training large language models (LLMs). One major drawback of this type of representation is their incomprehensibility to humans. Understanding the embedding space is crucial for several important needs, including the need to debug the embedding method and compare it to alternatives, and the need to detect biases hidden in the model. In this paper, we present a novel method of understanding embeddings by transforming a latent embedding space into a comprehensible conceptual space. We present an algorithm for deriving a conceptual space with dynamic on-demand granularity. We devise a new evaluation method, using either human rater or LLM-based raters, to show that the conceptualized vectors indeed represent the semantics of the original latent ones. We show the use of our method for various tasks, including comparing the semantics of alternative models and tracing the layers of the LLM. The code is available online https://github.com/adiSimhi/Interpreting-Embedding-Spaces-by-Conceptualization.

Understanding how semantic meaning is encoded in the representation spaces of large language models is a fundamental problem in interpretability. In this paper, we study the two foundational questions in this area. First, how are categorical concepts, such as {'mammal', 'bird', 'reptile', 'fish'}, represented? Second, how are hierarchical relations between concepts encoded? For example, how is the fact that 'dog' is a kind of 'mammal' encoded? We show how to extend the linear representation hypothesis to answer these questions. We find a remarkably simple structure: simple categorical concepts are represented as simplices, hierarchically related concepts are orthogonal in a sense we make precise, and (in consequence) complex concepts are represented as polytopes constructed from direct sums of simplices, reflecting the hierarchical structure. We validate these theoretical results on the Gemma large language model, estimating representations for 957 hierarchically related concepts using data from WordNet.

In this paper, we present Jellyfish, an open-source LLM as a universal task solver for DP. Built on the Llama 2 13B model, Jellyfish is instruction-tuned with the datasets of several typical DP tasks including error detection, data imputation, schema matching, and entity matching, and delivers generalizability to other tasks. Remarkably, Jellyfish can operate on a local, single, and low-priced GPU with its 13 billion parameters, ensuring data security and enabling further tuning. Its proficiency in understanding natural language allows users to manually craft instructions for DP tasks. Unlike many existing methods that heavily rely on prior knowledge, Jellyfish acquires domain knowledge during its tuning process and integrates optional knowledge injection during inference. A distinctive feature of Jellyfish is its interpreter, which elucidates its output decisions. To construct Jellyfish, we develop a series of pre-tuning and DP-tuning techniques. Jellyfish is equipped with an instance serializer, which automatically translates raw data into model prompts, and a knowledge injector, which optionally introduces task- and dataset-specific knowledge to enhance DP performance. Our evaluation of Jellyfish, using a range of real datasets, shows its competitiveness compared to state-of-the-art methods and its strong generalizability to unseen tasks. Jellyfish's performance rivals that of GPT series models, and its interpreter offers enhanced reasoning capabilities compared to GPT-3.5. Furthermore, our evaluation highlights the effectiveness of the techniques employed in constructing Jellyfish. Our model is available at Hugging Face: https://huggingface.co/NECOUDBFM/Jellyfish .

This paper presents a quantitative program verification infrastructure for discrete probabilistic programs. Our infrastructure can be viewed as the probabilistic analogue of Boogie: its central components are an intermediate verification language (IVL) together with a real-valued logic. Our IVL provides a programming-language-style for expressing verification conditions whose validity implies the correctness of a program under investigation. As our focus is on verifying quantitative properties such as bounds on expected outcomes, expected run-times, or termination probabilities, off-the-shelf IVLs based on Boolean first-order logic do not suffice. Instead, a paradigm shift from the standard Boolean to a real-valued domain is required. Our IVL features quantitative generalizations of standard verification constructs such as assume- and assert-statements. Verification conditions are generated by a weakest-precondition-style semantics, based on our real-valued logic. We show that our verification infrastructure supports natural encodings of numerous verification techniques from the literature. With our SMT-based implementation, we automatically verify a variety of benchmarks. To the best of our knowledge, this establishes the first deductive verification infrastructure for expectation-based reasoning about probabilistic programs.

Open-domain generative systems have gained significant attention in the field of conversational AI (e.g., generative search engines). This paper presents a comprehensive review of the attribution mechanisms employed by these systems, particularly large language models. Though attribution or citation improve the factuality and verifiability, issues like ambiguous knowledge reservoirs, inherent biases, and the drawbacks of excessive attribution can hinder the effectiveness of these systems. The aim of this survey is to provide valuable insights for researchers, aiding in the refinement of attribution methodologies to enhance the reliability and veracity of responses generated by open-domain generative systems. We believe that this field is still in its early stages; hence, we maintain a repository to keep track of ongoing studies at https://github.com/HITsz-TMG/awesome-llm-attributions.

Dense retrieval approaches can overcome the lexical gap and lead to significantly improved search results. However, they require large amounts of training data which is not available for most domains. As shown in previous work (Thakur et al., 2021b), the performance of dense retrievers severely degrades under a domain shift. This limits the usage of dense retrieval approaches to only a few domains with large training datasets. In this paper, we propose the novel unsupervised domain adaptation method Generative Pseudo Labeling (GPL), which combines a query generator with pseudo labeling from a cross-encoder. On six representative domain-specialized datasets, we find the proposed GPL can outperform an out-of-the-box state-of-the-art dense retrieval approach by up to 9.3 points nDCG@10. GPL requires less (unlabeled) data from the target domain and is more robust in its training than previous methods. We further investigate the role of six recent pre-training methods in the scenario of domain adaptation for retrieval tasks, where only three could yield improved results. The best approach, TSDAE (Wang et al., 2021) can be combined with GPL, yielding another average improvement of 1.4 points nDCG@10 across the six tasks. The code and the models are available at https://github.com/UKPLab/gpl.

When experiencing an information need, users want to engage with a domain expert, but often turn to an information retrieval system, such as a search engine, instead. Classical information retrieval systems do not answer information needs directly, but instead provide references to (hopefully authoritative) answers. Successful question answering systems offer a limited corpus created on-demand by human experts, which is neither timely nor scalable. Pre-trained language models, by contrast, are capable of directly generating prose that may be responsive to an information need, but at present they are dilettantes rather than domain experts -- they do not have a true understanding of the world, they are prone to hallucinating, and crucially they are incapable of justifying their utterances by referring to supporting documents in the corpus they were trained over. This paper examines how ideas from classical information retrieval and pre-trained language models can be synthesized and evolved into systems that truly deliver on the promise of domain expert advice.

When deploying machine learning systems to the wild, it is highly desirable for them to effectively leverage prior knowledge to the unfamiliar domain while also firing alarms to anomalous inputs. In order to address these requirements, Universal Domain Adaptation (UniDA) has emerged as a novel research area in computer vision, focusing on achieving both adaptation ability and robustness (i.e., the ability to detect out-of-distribution samples). While UniDA has led significant progress in computer vision, its application on language input still needs to be explored despite its feasibility. In this paper, we propose a comprehensive benchmark for natural language that offers thorough viewpoints of the model's generalizability and robustness. Our benchmark encompasses multiple datasets with varying difficulty levels and characteristics, including temporal shifts and diverse domains. On top of our testbed, we validate existing UniDA methods from computer vision and state-of-the-art domain adaptation techniques from NLP literature, yielding valuable findings: We observe that UniDA methods originally designed for image input can be effectively transferred to the natural language domain while also underscoring the effect of adaptation difficulty in determining the model's performance.

Retrieval-augmented Generation (RAG) has markedly enhanced the capabilities of Large Language Models (LLMs) in tackling knowledge-intensive tasks. The increasing demands of application scenarios have driven the evolution of RAG, leading to the integration of advanced retrievers, LLMs and other complementary technologies, which in turn has amplified the intricacy of RAG systems. However, the rapid advancements are outpacing the foundational RAG paradigm, with many methods struggling to be unified under the process of "retrieve-then-generate". In this context, this paper examines the limitations of the existing RAG paradigm and introduces the modular RAG framework. By decomposing complex RAG systems into independent modules and specialized operators, it facilitates a highly reconfigurable framework. Modular RAG transcends the traditional linear architecture, embracing a more advanced design that integrates routing, scheduling, and fusion mechanisms. Drawing on extensive research, this paper further identifies prevalent RAG patterns-linear, conditional, branching, and looping-and offers a comprehensive analysis of their respective implementation nuances. Modular RAG presents innovative opportunities for the conceptualization and deployment of RAG systems. Finally, the paper explores the potential emergence of new operators and paradigms, establishing a solid theoretical foundation and a practical roadmap for the continued evolution and practical deployment of RAG technologies.

Recent work has considered whether large language models (LLMs) can function as planners: given a task, generate a plan. We investigate whether LLMs can serve as generalized planners: given a domain and training tasks, generate a program that efficiently produces plans for other tasks in the domain. In particular, we consider PDDL domains and use GPT-4 to synthesize Python programs. We also consider (1) Chain-of-Thought (CoT) summarization, where the LLM is prompted to summarize the domain and propose a strategy in words before synthesizing the program; and (2) automated debugging, where the program is validated with respect to the training tasks, and in case of errors, the LLM is re-prompted with four types of feedback. We evaluate this approach in seven PDDL domains and compare it to four ablations and four baselines. Overall, we find that GPT-4 is a surprisingly powerful generalized planner. We also conclude that automated debugging is very important, that CoT summarization has non-uniform impact, that GPT-4 is far superior to GPT-3.5, and that just two training tasks are often sufficient for strong generalization.

Knowledge Graphs (KG) are of vital importance for multiple applications on the web, including information retrieval, recommender systems, and metadata annotation. Regardless of whether they are built manually by domain experts or with automatic pipelines, KGs are often incomplete. Recent work has begun to explore the use of textual descriptions available in knowledge graphs to learn vector representations of entities in order to preform link prediction. However, the extent to which these representations learned for link prediction generalize to other tasks is unclear. This is important given the cost of learning such representations. Ideally, we would prefer representations that do not need to be trained again when transferring to a different task, while retaining reasonable performance. In this work, we propose a holistic evaluation protocol for entity representations learned via a link prediction objective. We consider the inductive link prediction and entity classification tasks, which involve entities not seen during training. We also consider an information retrieval task for entity-oriented search. We evaluate an architecture based on a pretrained language model, that exhibits strong generalization to entities not observed during training, and outperforms related state-of-the-art methods (22% MRR improvement in link prediction on average). We further provide evidence that the learned representations transfer well to other tasks without fine-tuning. In the entity classification task we obtain an average improvement of 16% in accuracy compared with baselines that also employ pre-trained models. In the information retrieval task, we obtain significant improvements of up to 8.8% in NDCG@10 for natural language queries. We thus show that the learned representations are not limited KG-specific tasks, and have greater generalization properties than evaluated in previous work.

We are born with the ability to learn concepts by comparing diverse observations. This helps us to understand the new world in a compositional manner and facilitates extrapolation, as objects naturally consist of multiple concepts. In this work, we argue that the cognitive mechanism of comparison, fundamental to human learning, is also vital for machines to recover true concepts underlying the data. This offers correctness guarantees for the field of concept learning, which, despite its impressive empirical successes, still lacks general theoretical support. Specifically, we aim to develop a theoretical framework for the identifiability of concepts with multiple classes of observations. We show that with sufficient diversity across classes, hidden concepts can be identified without assuming specific concept types, functional relations, or parametric generative models. Interestingly, even when conditions are not globally satisfied, we can still provide alternative guarantees for as many concepts as possible based on local comparisons, thereby extending the applicability of our theory to more flexible scenarios. Moreover, the hidden structure between classes and concepts can also be identified nonparametrically. We validate our theoretical results in both synthetic and real-world settings.

Pretraining large neural language models, such as BERT, has led to impressive gains on many natural language processing (NLP) tasks. However, most pretraining efforts focus on general domain corpora, such as newswire and Web. A prevailing assumption is that even domain-specific pretraining can benefit by starting from general-domain language models. In this paper, we challenge this assumption by showing that for domains with abundant unlabeled text, such as biomedicine, pretraining language models from scratch results in substantial gains over continual pretraining of general-domain language models. To facilitate this investigation, we compile a comprehensive biomedical NLP benchmark from publicly-available datasets. Our experiments show that domain-specific pretraining serves as a solid foundation for a wide range of biomedical NLP tasks, leading to new state-of-the-art results across the board. Further, in conducting a thorough evaluation of modeling choices, both for pretraining and task-specific fine-tuning, we discover that some common practices are unnecessary with BERT models, such as using complex tagging schemes in named entity recognition (NER). To help accelerate research in biomedical NLP, we have released our state-of-the-art pretrained and task-specific models for the community, and created a leaderboard featuring our BLURB benchmark (short for Biomedical Language Understanding & Reasoning Benchmark) at https://aka.ms/BLURB.

In domain generalization (DG), the target domain is unknown when the model is being trained, and the trained model should successfully work on an arbitrary (and possibly unseen) target domain during inference. This is a difficult problem, and despite active studies in recent years, it remains a great challenge. In this paper, we take a simple yet effective approach to tackle this issue. We propose test-time style shifting, which shifts the style of the test sample (that has a large style gap with the source domains) to the nearest source domain that the model is already familiar with, before making the prediction. This strategy enables the model to handle any target domains with arbitrary style statistics, without additional model update at test-time. Additionally, we propose style balancing, which provides a great platform for maximizing the advantage of test-time style shifting by handling the DG-specific imbalance issues. The proposed ideas are easy to implement and successfully work in conjunction with various other DG schemes. Experimental results on different datasets show the effectiveness of our methods.

We present BIS Reasoning 1.0, the first large-scale Japanese dataset of syllogistic reasoning problems explicitly designed to evaluate belief-inconsistent reasoning in large language models (LLMs). Unlike prior datasets such as NeuBAROCO and JFLD, which focus on general or belief-aligned reasoning, BIS Reasoning 1.0 introduces logically valid yet belief-inconsistent syllogisms to uncover reasoning biases in LLMs trained on human-aligned corpora. We benchmark state-of-the-art models - including GPT models, Claude models, and leading Japanese LLMs - revealing significant variance in performance, with GPT-4o achieving 79.54% accuracy. Our analysis identifies critical weaknesses in current LLMs when handling logically valid but belief-conflicting inputs. These findings have important implications for deploying LLMs in high-stakes domains such as law, healthcare, and scientific literature, where truth must override intuitive belief to ensure integrity and safety.

Despite substantial advancements, Natural Language Processing (NLP) models often require post-training adjustments to enforce business rules, rectify undesired behavior, and align with user values. These adjustments involve operationalizing "concepts"--dictating desired model responses to certain inputs. However, it's difficult for a single entity to enumerate and define all possible concepts, indicating a need for a multi-user, collaborative model alignment framework. Moreover, the exhaustive delineation of a concept is challenging, and an improper approach can create shortcuts or interfere with original data or other concepts. To address these challenges, we introduce CoDev, a framework that enables multi-user interaction with the model, thereby mitigating individual limitations. CoDev aids users in operationalizing their concepts using Large Language Models, and relying on the principle that NLP models exhibit simpler behaviors in local regions. Our main insight is learning a local model for each concept, and a global model to integrate the original data with all concepts. We then steer a large language model to generate instances within concept boundaries where local and global disagree. Our experiments show CoDev is effective at helping multiple users operationalize concepts and avoid interference for a variety of scenarios, tasks, and models.

For an LLM to correctly respond to an instruction it must understand both the semantics and the domain (i.e., subject area) of a given task-instruction pair. However, syntax can also convey implicit information Recent work shows that syntactic templates -- frequent sequences of Part-of-Speech (PoS) tags -- are prevalent in training data and often appear in model outputs. In this work we characterize syntactic templates, domain, and semantics in task-instruction pairs. We identify cases of spurious correlations between syntax and domain, where models learn to associate a domain with syntax during training; this can sometimes override prompt semantics. Using a synthetic training dataset, we find that the syntactic-domain correlation can lower performance (mean 0.51 +/- 0.06) on entity knowledge tasks in OLMo-2 models (1B-13B). We introduce an evaluation framework to detect this phenomenon in trained models, and show that it occurs on a subset of the FlanV2 dataset in open (OLMo-2-7B; Llama-4-Maverick), and closed (GPT-4o) models. Finally, we present a case study on the implications for safety finetuning, showing that unintended syntactic-domain correlations can be used to bypass refusals in OLMo-2-7B Instruct and GPT-4o. Our findings highlight two needs: (1) to explicitly test for syntactic-domain correlations, and (2) to ensure syntactic diversity in training data, specifically within domains, to prevent such spurious correlations.

Large Language Models (LLMs) assist in specialized tasks but struggle to align with evolving domain knowledge without costly fine-tuning. Domain knowledge consists of: Knowledge: Immutable facts (e.g., 'A stone is solid') and generally accepted principles (e.g., ethical standards); Refined Memory: Evolving insights shaped by business needs and real-world changes. However, a significant gap often exists between a domain expert's deep, nuanced understanding and the system's domain knowledge, which can hinder accurate information retrieval and application. Our Memory-Augmented Refinement of Knowledge (MARK) framework enables LLMs to continuously learn without retraining by leveraging structured refined memory, inspired by the Society of Mind. MARK operates through specialized agents, each serving a distinct role: Residual Refined Memory Agent: Stores and retrieves domain-specific insights to maintain context over time; User Question Refined Memory Agent: Captures user-provided facts, abbreviations, and terminology for better comprehension; LLM Response Refined Memory Agent: Extracts key elements from responses for refinement and personalization. These agents analyse stored refined memory, detect patterns, resolve contradictions, and improve response accuracy. Temporal factors like recency and frequency prioritize relevant information while discarding outdated insights. MARK enhances LLMs in multiple ways: Ground Truth Strategy: Reduces hallucinations by establishing a structured reference; Domain-Specific Adaptation: Essential for fields like healthcare, law, and manufacturing, where proprietary insights are absent from public datasets; Personalized AI Assistants: Improves virtual assistants by remembering user preferences, ensuring coherent responses over time.

Emotions have played an important part in many sectors, including psychology, medicine, mental health, computer science, and so on, and categorizing them has proven extremely useful in separating one emotion from another. Emotions can be classified using the following two methods: (1) The supervised method's efficiency is strongly dependent on the size and domain of the data collected. A categorization established using relevant data from one domain may not work well in another. (2) An unsupervised method that uses either domain expertise or a knowledge base of emotion types already exists. Though this second approach provides a suitable and generic categorization of emotions and is cost-effective, the literature doesn't possess a publicly available knowledge base that can be directly applied to any emotion categorization-related task. This pushes us to create a knowledge base that can be used for emotion classification across domains, and ontology is often used for this purpose. In this study, we provide TONE, an emotion-based ontology that effectively creates an emotional hierarchy based on Dr. Gerrod Parrot's group of emotions. In addition to ontology development, we introduce a semi-automated vocabulary construction process to generate a detailed collection of terms for emotions at each tier of the hierarchy. We also demonstrate automated methods for establishing three sorts of dependencies in order to develop linkages between different emotions. Our human and automatic evaluation results show the ontology's quality. Furthermore, we describe three distinct use cases that demonstrate the applicability of our ontology.

Chain-of-Thought (CoT) reasoning in smaller language models is a challenging natural language process problem yet highly desirable in many real-life applications. Existing CoT knowledge distillation methods often suffer from overly conservative memorization in smaller LLMs, leading to low generalization confidence. As fully preserving the CoT ability of teacher model is impossible, we hypothesize that adversarial CoT fine-tuning is crucial for developing smaller LLM with robust CoT generalization. To this end, we propose PRompt-Assisted Domain-Adversarial fine-tuning (PRADA), a principled fine-tuning framework that integrates diverse CoT domains. Specifically, PRADA pioneers two CoT improvements in smaller LLM: (1) Recovering the domain-invariant feature insight which typically lost during distillation with domain adversarial fine-tuning; (2) Enhancing the domain adaptability of CoT prompt engineering by employing domain-adversarial approaches. We theoretically demonstrate the effectiveness of our approach and empirically show that it significantly outperforms the state of the arts in a wide range of tasks. Moreover, our empirical findings reveal that the smaller LLM, when leveraging PRADA, aligns closely with domain knowledge, thereby improving the explainability of our approach.

Approaching new data can be quite deterrent; you do not know how your categories of interest are realized in it, commonly, there is no labeled data at hand, and the performance of domain adaptation methods is unsatisfactory. Aiming to assist domain experts in their first steps into a new task over a new corpus, we present an unsupervised approach to reveal complex rules which cluster the unexplored corpus by its prominent categories (or facets). These rules are human-readable, thus providing an important ingredient which has become in short supply lately - explainability. Each rule provides an explanation for the commonality of all the texts it clusters together. We present an extensive evaluation of the usefulness of these rules in identifying target categories, as well as a user study which assesses their interpretability.

Aligning Large Language Models to integrate and reflect human values, especially for tasks that demand intricate human oversight, is arduous since it is resource-intensive and time-consuming to depend on human expertise for context-specific guidance. Prior work has utilized predefined sets of rules or principles to steer the behavior of models (Bai et al., 2022; Sun et al., 2023). However, these principles tend to be generic, making it challenging to adapt them to each individual input query or context. In this work, we present Situated-PRInciples (SPRI), a framework requiring minimal or no human effort that is designed to automatically generate guiding principles in real-time for each input query and utilize them to align each response. We evaluate SPRI on three tasks, and show that 1) SPRI can derive principles in a complex domain-specific task that leads to on-par performance as expert-crafted ones; 2) SPRI-generated principles lead to instance-specific rubrics that outperform prior LLM-as-a-judge frameworks; 3) using SPRI to generate synthetic SFT data leads to substantial improvement on truthfulness. We release our code and model generations at https://github.com/honglizhan/SPRI-public.

Can Transformers predict new syllogisms by composing established ones? More generally, what type of targets can be learned by such models from scratch? Recent works show that Transformers can be Turing-complete in terms of expressivity, but this does not address the learnability objective. This paper puts forward the notion of 'globality degree' of a target distribution to capture when weak learning is efficiently achievable by regular Transformers, where the latter measures the least number of tokens required in addition to the tokens histogram to correlate nontrivially with the target. As shown experimentally and theoretically under additional assumptions, distributions with high globality cannot be learned efficiently. In particular, syllogisms cannot be composed on long chains. Furthermore, we show that (i) an agnostic scratchpad cannot help to break the globality barrier, (ii) an educated scratchpad can help if it breaks the globality at each step, however not all such scratchpads can generalize to out-of-distribution (OOD) samples, (iii) a notion of 'inductive scratchpad', that composes the prior information more efficiently, can both break the globality barrier and improve the OOD generalization. In particular, some inductive scratchpads can achieve length generalizations of up to 6x for some arithmetic tasks depending on the input formatting.

The recently developed retrieval-augmented generation (RAG) technology has enabled the efficient construction of domain-specific applications. However, it also has limitations, including the gap between vector similarity and the relevance of knowledge reasoning, as well as insensitivity to knowledge logic, such as numerical values, temporal relations, expert rules, and others, which hinder the effectiveness of professional knowledge services. In this work, we introduce a professional domain knowledge service framework called Knowledge Augmented Generation (KAG). KAG is designed to address the aforementioned challenges with the motivation of making full use of the advantages of knowledge graph(KG) and vector retrieval, and to improve generation and reasoning performance by bidirectionally enhancing large language models (LLMs) and KGs through five key aspects: (1) LLM-friendly knowledge representation, (2) mutual-indexing between knowledge graphs and original chunks, (3) logical-form-guided hybrid reasoning engine, (4) knowledge alignment with semantic reasoning, and (5) model capability enhancement for KAG. We compared KAG with existing RAG methods in multihop question answering and found that it significantly outperforms state-of-theart methods, achieving a relative improvement of 19.6% on 2wiki and 33.5% on hotpotQA in terms of F1 score. We have successfully applied KAG to two professional knowledge Q&A tasks of Ant Group, including E-Government Q&A and E-Health Q&A, achieving significant improvement in professionalism compared to RAG methods.

Generative artificial intelligence (AI) systems based on large-scale pretrained foundation models (PFMs) such as vision-language models, large language models (LLMs), diffusion models and vision-language-action (VLA) models have demonstrated the ability to solve complex and truly non-trivial AI problems in a wide variety of domains and contexts. Multimodal large language models (MLLMs), in particular, learn from vast and diverse data sources, allowing rich and nuanced representations of the world and, thereby, providing extensive capabilities, including the ability to reason, engage in meaningful dialog; collaborate with humans and other agents to jointly solve complex problems; and understand social and emotional aspects of humans. Despite this impressive feat, the cognitive abilities of state-of-the-art LLMs trained on large-scale datasets are still superficial and brittle. Consequently, generic LLMs are severely limited in their generalist capabilities. A number of foundational problems -- embodiment, symbol grounding, causality and memory -- are required to be addressed for LLMs to attain human-level general intelligence. These concepts are more aligned with human cognition and provide LLMs with inherent human-like cognitive properties that support the realization of physically-plausible, semantically meaningful, flexible and more generalizable knowledge and intelligence. In this work, we discuss the aforementioned foundational issues and survey state-of-the art approaches for implementing these concepts in LLMs. Specifically, we discuss how the principles of embodiment, symbol grounding, causality and memory can be leveraged toward the attainment of artificial general intelligence (AGI) in an organic manner.

Software engineers are increasingly adding semantic search capabilities to applications using a strategy known as Retrieval Augmented Generation (RAG). A RAG system involves finding documents that semantically match a query and then passing the documents to a large language model (LLM) such as ChatGPT to extract the right answer using an LLM. RAG systems aim to: a) reduce the problem of hallucinated responses from LLMs, b) link sources/references to generated responses, and c) remove the need for annotating documents with meta-data. However, RAG systems suffer from limitations inherent to information retrieval systems and from reliance on LLMs. In this paper, we present an experience report on the failure points of RAG systems from three case studies from separate domains: research, education, and biomedical. We share the lessons learned and present 7 failure points to consider when designing a RAG system. The two key takeaways arising from our work are: 1) validation of a RAG system is only feasible during operation, and 2) the robustness of a RAG system evolves rather than designed in at the start. We conclude with a list of potential research directions on RAG systems for the software engineering community.

Large Language Models (LLMs) with long chain-of-thought (CoT) capability, termed Reasoning Models, demonstrate superior intricate problem-solving abilities through multi-step long CoT reasoning. To create a dual-capability model with long CoT capability and domain-specific knowledge without substantial computational and data costs, model merging emerges as a highly resource-efficient method. However, significant challenges lie in merging domain-specific LLMs with long CoT ones since nowadays merging methods suffer from reasoning capability degradation, even gibberish output and output collapse. To overcome this, we introduce RCP-Merging: Merging Long Chain-of-Thought Models with Domain-Specific Models by Considering Reasoning Capability as Prior, a novel merging framework designed to integrate domain-specific LLMs with long CoT capability, meanwhile maintaining model performance in the original domain. Treating reasoning model weights as foundational prior, our method utilizes a reasoning capability indicator to preserve core long CoT capability model weights while selectively merging essential domain-specific weights. We conducted extensive experiments on Qwen2.5-7B, Llama3.1-8B, and Qwen2.5-1.5B models in BioMedicine and Finance domains. Our results show that RCP-Merging successfully merges a reasoning model with domain-specific ones, improving domain task performance by 9.5% and 9.2% over state-of-the-art methods, without significantly harming the original long CoT reasoning capability.

Open-domain question answering (QA) is known to involve several underlying knowledge and reasoning challenges, but are models actually learning such knowledge when trained on benchmark tasks? To investigate this, we introduce several new challenge tasks that probe whether state-of-the-art QA models have general knowledge about word definitions and general taxonomic reasoning, both of which are fundamental to more complex forms of reasoning and are widespread in benchmark datasets. As an alternative to expensive crowd-sourcing, we introduce a methodology for automatically building datasets from various types of expert knowledge (e.g., knowledge graphs and lexical taxonomies), allowing for systematic control over the resulting probes and for a more comprehensive evaluation. We find automatically constructing probes to be vulnerable to annotation artifacts, which we carefully control for. Our evaluation confirms that transformer-based QA models are already predisposed to recognize certain types of structural lexical knowledge. However, it also reveals a more nuanced picture: their performance degrades substantially with even a slight increase in the number of hops in the underlying taxonomic hierarchy, or as more challenging distractor candidate answers are introduced. Further, even when these models succeed at the standard instance-level evaluation, they leave much room for improvement when assessed at the level of clusters of semantically connected probes (e.g., all Isa questions about a concept).

Large language models (LLMs) have significantly advanced the field of natural language processing, with GPT models at the forefront. While their remarkable performance spans a range of tasks, adapting LLMs for real-world business scenarios still poses challenges warranting further investigation. This paper presents an empirical analysis aimed at bridging the gap in adapting LLMs to practical use cases. To do that, we select the question answering (QA) task of insurance as a case study due to its challenge of reasoning. Based on the task we design a new model relied on LLMs which are empowered by additional knowledge extracted from insurance policy rulebooks and DBpedia. The additional knowledge helps LLMs to understand new concepts of insurance for domain adaptation. Preliminary results on two QA datasets show that knowledge enhancement significantly improves the reasoning ability of GPT-3.5 (55.80% and 57.83% in terms of accuracy). The analysis also indicates that existing public knowledge bases, e.g., DBPedia is beneficial for knowledge enhancement. Our findings reveal that the inherent complexity of business scenarios often necessitates the incorporation of domain-specific knowledge and external resources for effective problem-solving.

We propose to extract meaning representations from autoregressive language models by considering the distribution of all possible trajectories extending an input text. This strategy is prompt-free, does not require fine-tuning, and is applicable to any pre-trained autoregressive model. Moreover, unlike vector-based representations, distribution-based representations can also model asymmetric relations (e.g., direction of logical entailment, hypernym/hyponym relations) by using algebraic operations between likelihood functions. These ideas are grounded in distributional perspectives on semantics and are connected to standard constructions in automata theory, but to our knowledge they have not been applied to modern language models. We empirically show that the representations obtained from large models align well with human annotations, outperform other zero-shot and prompt-free methods on semantic similarity tasks, and can be used to solve more complex entailment and containment tasks that standard embeddings cannot handle. Finally, we extend our method to represent data from different modalities (e.g., image and text) using multimodal autoregressive models. Our code is available at: https://github.com/tianyu139/meaning-as-trajectories

Domain adaptation (DA) aims to transfer knowledge from a fully labeled source to a scarcely labeled or totally unlabeled target under domain shift. Recently, semi-supervised learning-based (SSL) techniques that leverage pseudo labeling have been increasingly used in DA. Despite the competitive performance, these pseudo labeling methods rely heavily on the source domain to generate pseudo labels for the target domain and therefore still suffer considerably from source data bias. Moreover, class distribution bias in the target domain is also often ignored in the pseudo label generation and thus leading to further deterioration of performance. In this paper, we propose GeT that learns a non-bias target embedding distribution with high quality pseudo labels. Specifically, we formulate an online target generative classifier to induce the target distribution into distinctive Gaussian components weighted by their class priors to mitigate source data bias and enhance target class discriminability. We further propose a structure similarity regularization framework to alleviate target class distribution bias and further improve target class discriminability. Experimental results show that our proposed GeT is effective and achieves consistent improvements under various DA settings with and without class distribution bias. Our code is available at: https://lulusindazc.github.io/getproject/.

To achieve faithful reasoning that aligns with human expectations, large language models (LLMs) need to ground their reasoning to real-world knowledge (e.g., web facts, math and physical rules). Tools help LLMs access this external knowledge, but there remains challenges for fine-tuning LLM agents (e.g., Toolformer) to invoke tools in multi-step reasoning problems, where inter-connected tool calls require holistic and efficient tool usage planning. In this work, we propose a new method for LLMs to better leverage tools in multi-step reasoning. Our method, Chain-of-Abstraction (CoA), trains LLMs to first decode reasoning chains with abstract placeholders, and then call domain tools to reify each reasoning chain by filling in specific knowledge. This planning with abstract chains enables LLMs to learn more general reasoning strategies, which are robust to shifts of domain knowledge (e.g., math results) relevant to different reasoning questions. It also allows LLMs to perform decoding and calling of external tools in parallel, which avoids the inference delay caused by waiting for tool responses. In mathematical reasoning and Wiki QA domains, we show that our method consistently outperforms previous chain-of-thought and tool-augmented baselines on both in-distribution and out-of-distribution test sets, with an average ~6% absolute QA accuracy improvement. LLM agents trained with our method also show more efficient tool use, with inference speed being on average ~1.4x faster than baseline tool-augmented LLMs.

As large language models (LLMs) are increasingly integrated into numerous applications across various domains, LLMs' safety becomes a critical concern for both application developers and intended users. Currently, great efforts have been made to develop safety benchmarks with fine-grained taxonomies. However, these benchmarks' taxonomies are disparate with different safety policies. Thus, existing safeguards trained on these benchmarks are either coarse-grained to only distinguish between safe and unsafe, or constrained by the narrow risk taxonomies of a single benchmark. To leverage these fine-grained safety taxonomies across multiple safety benchmarks, in this paper, we propose GSPR, a Generalizable Safety Policy Reasoner to identify unsafe input prompts and LLMs' outputs with violated safety taxonomies through Group Relative Policy Optimization (GRPO). Unlike prior safeguards which only cover a fixed set of risk factors, our GSPR incentivizes its reasoning capability with varied safety taxonomies through our careful cold-start strategy and reward design. Consequently, our GSPR can be trained across multiple safety benchmarks with distinct taxonomies and naturally exhibits powerful generalization ability. We conduct extensive experiments to show that our GSPR significantly improves existing safety guardrails' reasoning capabilities for both safety and category prediction tasks. Moreover, our GSPR not only demonstrates powerful safety generalization abilities but also achieves the least inference token costs with explanations.

Mathematical reasoning serves as a cornerstone for assessing the fundamental cognitive capabilities of human intelligence. In recent times, there has been a notable surge in the development of Large Language Models (LLMs) geared towards the automated resolution of mathematical problems. However, the landscape of mathematical problem types is vast and varied, with LLM-oriented techniques undergoing evaluation across diverse datasets and settings. This diversity makes it challenging to discern the true advancements and obstacles within this burgeoning field. This survey endeavors to address four pivotal dimensions: i) a comprehensive exploration of the various mathematical problems and their corresponding datasets that have been investigated; ii) an examination of the spectrum of LLM-oriented techniques that have been proposed for mathematical problem-solving; iii) an overview of factors and concerns affecting LLMs in solving math; and iv) an elucidation of the persisting challenges within this domain. To the best of our knowledge, this survey stands as one of the first extensive examinations of the landscape of LLMs in the realm of mathematics, providing a holistic perspective on the current state, accomplishments, and future challenges in this rapidly evolving field.

A recent approach to neurosymbolic reasoning is to explicitly combine the strengths of large language models (LLMs) and symbolic solvers to tackle complex reasoning tasks. However, current approaches face significant limitations, including poor generalizability due to task-specific prompts, inefficiencies caused by the lack of separation between knowledge and queries, and restricted inferential capabilities. These shortcomings hinder their scalability and applicability across diverse domains. In this paper, we introduce VERUS-LM, a novel framework designed to address these challenges. VERUS-LM employs a generic prompting mechanism, clearly separates domain knowledge from queries, and supports a wide range of different logical reasoning tasks. This framework enhances adaptability, reduces computational cost, and allows for richer forms of reasoning, such as optimization and constraint satisfaction. We show that our approach succeeds in diverse reasoning on a novel dataset, markedly outperforming LLMs. Additionally, our system achieves competitive results on common reasoning benchmarks when compared to other state-of-the-art approaches, and significantly surpasses them on the difficult AR-LSAT dataset. By pushing the boundaries of hybrid reasoning, VERUS-LM represents a significant step towards more versatile neurosymbolic AI systems

Consider this prompt "Draw a unicorn with two horns". Should large language models (LLMs) recognize that a unicorn has only one horn by definition and ask users for clarifications, or proceed to generate something anyway? We introduce concept incongruence to capture such phenomena where concept boundaries clash with each other, either in user prompts or in model representations, often leading to under-specified or mis-specified behaviors. In this work, we take the first step towards defining and analyzing model behavior under concept incongruence. Focusing on temporal boundaries in the Role-Play setting, we propose three behavioral metrics--abstention rate, conditional accuracy, and answer rate--to quantify model behavior under incongruence due to the role's death. We show that models fail to abstain after death and suffer from an accuracy drop compared to the Non-Role-Play setting. Through probing experiments, we identify two main causes: (i) unreliable encoding of the "death" state across different years, leading to unsatisfactory abstention behavior, and (ii) role playing causes shifts in the model's temporal representations, resulting in accuracy drops. We leverage these insights to improve consistency in the model's abstention and answer behaviors. Our findings suggest that concept incongruence leads to unexpected model behaviors and point to future directions on improving model behavior under concept incongruence.

In their recent Nature Human Behaviour paper, "Emergent analogical reasoning in large language models," (Webb, Holyoak, and Lu, 2023) the authors argue that "large language models such as GPT-3 have acquired an emergent ability to find zero-shot solutions to a broad range of analogy problems." In this response, we provide counterexamples of the letter string analogies. In our tests, GPT-3 fails to solve even the easiest variants of the problems presented in the original paper. Zero-shot reasoning is an extraordinary claim that requires extraordinary evidence. We do not see that evidence in our experiments. To strengthen claims of humanlike reasoning such as zero-shot reasoning, it is important that the field develop approaches that rule out data memorization.

User experience (UX) is a part of human-computer interaction (HCI) research and focuses on increasing intuitiveness, transparency, simplicity, and trust for system users. Most of the UX research for machine learning (ML) or natural language processing (NLP) focuses on a data-driven methodology, i.e., it fails to focus on users' requirements, and engages domain users mainly for usability evaluation. Moreover, more typical UX methods tailor the systems towards user usability, unlike learning about the user needs first. The paper proposes a methodology for integrating generative UX research into developing domain NLP applications. Generative UX research employs domain users at the initial stages of prototype development, i.e., ideation and concept evaluation, and the last stage for evaluating the change in user value. In the case study, we report the full-cycle prototype development of a domain-specific semantic search for daily operations in the process industry. Our case study shows that involving domain experts increases their interest and trust in the final NLP application. Moreover, we show that synergetic UX+NLP research efficiently considers data- and user-driven opportunities and constraints, which can be crucial for NLP applications in narrow domains

The scientific literature's exponential growth makes it increasingly challenging to navigate and synthesize knowledge across disciplines. Large language models (LLMs) are powerful tools for understanding scientific text, but they fail to capture detailed relationships across large bodies of work. Unstructured approaches, like retrieval augmented generation, can sift through such corpora to recall relevant facts; however, when millions of facts influence the answer, unstructured approaches become cost prohibitive. Structured representations offer a natural complement -- enabling systematic analysis across the whole corpus. Recent work enhances LLMs with unstructured or semistructured representations of scientific concepts; to complement this, we try extracting structured representations using LLMs. By combining LLMs' semantic understanding with a schema of scientific concepts, we prototype a system that answers precise questions about the literature as a whole. Our schema applies across scientific fields and we extract concepts from it using only 20 manually annotated abstracts. To demonstrate the system, we extract concepts from 30,000 papers on arXiv spanning astrophysics, fluid dynamics, and evolutionary biology. The resulting database highlights emerging trends and, by visualizing the knowledge graph, offers new ways to explore the ever-growing landscape of scientific knowledge. Demo: abby101/surveyor-0 on HF Spaces. Code: https://github.com/chiral-carbon/kg-for-science.

Investigating the reasoning abilities of transformer models, and discovering new challenging tasks for them, has been a topic of much interest. Recent studies have found these models to be surprisingly strong at performing deductive reasoning over formal logical theories expressed in natural language. A shortcoming of these studies, however, is that they do not take into account that logical theories, when sampled uniformly at random, do not necessarily lead to hard instances. We propose a new methodology for creating challenging algorithmic reasoning datasets that focus on natural language satisfiability (NLSat) problems. The key idea is to draw insights from empirical sampling of hard propositional SAT problems and from complexity-theoretic studies of language. This methodology allows us to distinguish easy from hard instances, and to systematically increase the complexity of existing reasoning benchmarks such as RuleTaker. We find that current transformers, given sufficient training data, are surprisingly robust at solving the resulting NLSat problems of substantially increased difficulty. They also exhibit some degree of scale-invariance - the ability to generalize to problems of larger size and scope. Our results, however, reveal important limitations too: a careful sampling of training data is crucial for building models that generalize to larger problems, and transformer models' limited scale-invariance suggests they are far from learning robust deductive reasoning algorithms.

Recent works have demonstrated the effectiveness of self-alignment in which a large language model is, by itself, aligned to follow general instructions through the automatic generation of instructional data using a handful of human-written seeds. Instead of general alignment, in this work, we focus on self-alignment for expert domain specialization (e.g., biomedicine), discovering it to be very effective for improving zero-shot and few-shot performance in target domains of interest. As a preliminary, we first present the benchmark results of existing aligned models within a specialized domain, which reveals the marginal effect that "generic" instruction-following training has on downstream expert domains' performance. To remedy this, we explore self-specialization that leverages domain-specific unlabelled data and a few labeled seeds for the self-alignment process. When augmented with retrieval to reduce hallucination and enhance concurrency of the alignment, self-specialization offers an effective (and efficient) way of "carving out" an expert model out of a "generalist", pre-trained LLM where different domains of expertise are originally combined in a form of "superposition". Our experimental results on a biomedical domain show that our self-specialized model (30B) outperforms its base model, MPT-30B by a large margin and even surpasses larger popular models based on LLaMA-65B, highlighting its potential and practicality for specialization, especially considering its efficiency in terms of data and parameters.

In this work, we introduce a novel evaluation paradigm for Large Language Models, one that challenges them to engage in meta-reasoning. This approach addresses critical shortcomings in existing math problem-solving benchmarks, traditionally used to evaluate the cognitive capabilities of agents. Our paradigm shifts the focus from result-oriented assessments, which often overlook the reasoning process, to a more holistic evaluation that effectively differentiates the cognitive capabilities among models. For example, in our benchmark, GPT-4 demonstrates a performance ten times more accurate than GPT3-5. The significance of this new paradigm lies in its ability to reveal potential cognitive deficiencies in LLMs that current benchmarks, such as GSM8K, fail to uncover due to their saturation and lack of effective differentiation among varying reasoning abilities. Our comprehensive analysis includes several state-of-the-art math models from both open-source and closed-source communities, uncovering fundamental deficiencies in their training and evaluation approaches. This paper not only advocates for a paradigm shift in the assessment of LLMs but also contributes to the ongoing discourse on the trajectory towards Artificial General Intelligence (AGI). By promoting the adoption of meta-reasoning evaluation methods similar to ours, we aim to facilitate a more accurate assessment of the true cognitive abilities of LLMs.

As large language models (LLMs) become increasingly prevalent in web services, effectively leveraging domain-specific knowledge while ensuring privacy has become critical. Existing methods, such as retrieval-augmented generation (RAG) and differentially private data synthesis, often compromise either the utility of domain knowledge or the privacy of sensitive data, limiting their applicability in specialized domains. To address these challenges, we propose Llamdex, a novel framework that integrates privacy-preserving, domain-specific models into LLMs. Our approach significantly enhances the accuracy of domain-specific tasks, achieving up to a 26\% improvement compared to existing methods under the same differential privacy constraints. Experimental results show that Llamdex not only improves the accuracy of LLM responses but also maintains comparable inference efficiency to the original LLM, highlighting its potential for real-world applications.

Programming with Generative AI (GenAI) models is a type of Neurosymbolic programming and has seen tremendous adoption across many domains. However, leveraging GenAI models in code today can be complex, counter-intuitive and often require specialized frameworks, leading to increased complexity. This is because it is currently unclear as to the right abstractions through which we should marry GenAI models with the nature of traditional programming code constructs. In this paper, we introduce a set of novel abstractions to help bridge the gap between Neuro- and symbolic programming. We introduce Meaning, a new specialized type that represents the underlying semantic value of traditional types (e.g., string). We make the case that GenAI models, LLMs in particular, should be reasoned as a meaning-type wrapped code construct at the language level. We formulate the problem of translation between meaning and traditional types and propose Automatic Meaning-Type Transformation (A-MTT), a runtime feature that abstracts this translation away from the developers by automatically converting between M eaning and types at the interface of LLM invocation. Leveraging this new set of code constructs and OTT, we demonstrate example implementation of neurosymbolic programs that seamlessly utilizes LLMs to solve problems in place of potentially complex traditional programming logic.

How does language inform our downstream thinking? In particular, how do humans make meaning from language -- and how can we leverage a theory of linguistic meaning to build machines that think in more human-like ways? In this paper, we propose rational meaning construction, a computational framework for language-informed thinking that combines neural models of language with probabilistic models for rational inference. We frame linguistic meaning as a context-sensitive mapping from natural language into a probabilistic language of thought (PLoT) -- a general-purpose symbolic substrate for probabilistic, generative world modeling. Our architecture integrates two powerful computational tools that have not previously come together: we model thinking with probabilistic programs, an expressive representation for flexible commonsense reasoning; and we model meaning construction with large language models (LLMs), which support broad-coverage translation from natural language utterances to code expressions in a probabilistic programming language. We illustrate our framework in action through examples covering four core domains from cognitive science: probabilistic reasoning, logical and relational reasoning, visual and physical reasoning, and social reasoning about agents and their plans. In each, we show that LLMs can generate context-sensitive translations that capture pragmatically-appropriate linguistic meanings, while Bayesian inference with the generated programs supports coherent and robust commonsense reasoning. We extend our framework to integrate cognitively-motivated symbolic modules to provide a unified commonsense thinking interface from language. Finally, we explore how language can drive the construction of world models themselves.

Single-source domain generalization attempts to learn a model on a source domain and deploy it to unseen target domains. Limiting access only to source domain data imposes two key challenges - how to train a model that can generalize and how to verify that it does. The standard practice of validation on the training distribution does not accurately reflect the model's generalization ability, while validation on the test distribution is a malpractice to avoid. In this work, we construct an independent validation set by transforming source domain images with a comprehensive list of augmentations, covering a broad spectrum of potential distribution shifts in target domains. We demonstrate a high correlation between validation and test performance for multiple methods and across various datasets. The proposed validation achieves a relative accuracy improvement over the standard validation equal to 15.4% or 1.6% when used for method selection or learning rate tuning, respectively. Furthermore, we introduce a novel family of methods that increase the shape bias through enhanced edge maps. To benefit from the augmentations during training and preserve the independence of the validation set, a k-fold validation process is designed to separate the augmentation types used in training and validation. The method that achieves the best performance on the augmented validation is selected from the proposed family. It achieves state-of-the-art performance on various standard benchmarks. Code at: https://github.com/NikosEfth/crafting-shifts

A characteristic feature of human semantic cognition is its ability to not only store and retrieve the properties of concepts observed through experience, but to also facilitate the inheritance of properties (can breathe) from superordinate concepts (animal) to their subordinates (dog) -- i.e. demonstrate property inheritance. In this paper, we present COMPS, a collection of minimal pair sentences that jointly tests pre-trained language models (PLMs) on their ability to attribute properties to concepts and their ability to demonstrate property inheritance behavior. Analyses of 22 different PLMs on COMPS reveal that they can easily distinguish between concepts on the basis of a property when they are trivially different, but find it relatively difficult when concepts are related on the basis of nuanced knowledge representations. Furthermore, we find that PLMs can demonstrate behavior consistent with property inheritance to a great extent, but fail in the presence of distracting information, which decreases the performance of many models, sometimes even below chance. This lack of robustness in demonstrating simple reasoning raises important questions about PLMs' capacity to make correct inferences even when they appear to possess the prerequisite knowledge.

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a powerful paradigm for enhancing the reasoning capabilities of LLMs. Existing research has predominantly concentrated on isolated reasoning domains such as mathematical problem-solving, coding tasks, or logical reasoning. However, real world reasoning scenarios inherently demand an integrated application of multiple cognitive skills. Despite this, the interplay among these reasoning skills under reinforcement learning remains poorly understood. To bridge this gap, we present a systematic investigation of multi-domain reasoning within the RLVR framework, explicitly focusing on three primary domains: mathematical reasoning, code generation, and logical puzzle solving. We conduct a comprehensive study comprising four key components: (1) Leveraging the GRPO algorithm and the Qwen-2.5-7B model family, our study thoroughly evaluates the models' in-domain improvements and cross-domain generalization capabilities when trained on single-domain datasets. (2) Additionally, we examine the intricate interactions including mutual enhancements and conflicts that emerge during combined cross-domain training. (3) To further understand the influence of SFT on RL, we also analyze and compare performance differences between base and instruct models under identical RL configurations. (4) Furthermore, we delve into critical RL training details, systematically exploring the impacts of curriculum learning strategies, variations in reward design, and language-specific factors. Through extensive experiments, our results offer significant insights into the dynamics governing domain interactions, revealing key factors influencing both specialized and generalizable reasoning performance. These findings provide valuable guidance for optimizing RL methodologies to foster comprehensive, multi-domain reasoning capabilities in LLMs.

Retrieval-augmented generation (RAG) is a powerful technique that enhances downstream task execution by retrieving additional information, such as knowledge, skills, and tools from external sources. Graph, by its intrinsic "nodes connected by edges" nature, encodes massive heterogeneous and relational information, making it a golden resource for RAG in tremendous real-world applications. As a result, we have recently witnessed increasing attention on equipping RAG with Graph, i.e., GraphRAG. However, unlike conventional RAG, where the retriever, generator, and external data sources can be uniformly designed in the neural-embedding space, the uniqueness of graph-structured data, such as diverse-formatted and domain-specific relational knowledge, poses unique and significant challenges when designing GraphRAG for different domains. Given the broad applicability, the associated design challenges, and the recent surge in GraphRAG, a systematic and up-to-date survey of its key concepts and techniques is urgently desired. Following this motivation, we present a comprehensive and up-to-date survey on GraphRAG. Our survey first proposes a holistic GraphRAG framework by defining its key components, including query processor, retriever, organizer, generator, and data source. Furthermore, recognizing that graphs in different domains exhibit distinct relational patterns and require dedicated designs, we review GraphRAG techniques uniquely tailored to each domain. Finally, we discuss research challenges and brainstorm directions to inspire cross-disciplinary opportunities. Our survey repository is publicly maintained at https://github.com/Graph-RAG/GraphRAG/.

We study a novel language model architecture that is capable of scaling test-time computation by implicitly reasoning in latent space. Our model works by iterating a recurrent block, thereby unrolling to arbitrary depth at test-time. This stands in contrast to mainstream reasoning models that scale up compute by producing more tokens. Unlike approaches based on chain-of-thought, our approach does not require any specialized training data, can work with small context windows, and can capture types of reasoning that are not easily represented in words. We scale a proof-of-concept model to 3.5 billion parameters and 800 billion tokens. We show that the resulting model can improve its performance on reasoning benchmarks, sometimes dramatically, up to a computation load equivalent to 50 billion parameters.

Graph domain adaptation has emerged as a promising approach to facilitate knowledge transfer across different domains. Recently, numerous models have been proposed to enhance their generalization capabilities in this field. However, there is still no unified library that brings together existing techniques and simplifies their implementation. To fill this gap, we introduce PyGDA, an open-source Python library tailored for graph domain adaptation. As the first comprehensive library in this area, PyGDA covers more than 20 widely used graph domain adaptation methods together with different types of graph datasets. Specifically, PyGDA offers modular components, enabling users to seamlessly build custom models with a variety of commonly used utility functions. To handle large-scale graphs, PyGDA includes support for features such as sampling and mini-batch processing, ensuring efficient computation. In addition, PyGDA also includes comprehensive performance benchmarks and well-documented user-friendly API for both researchers and practitioners. To foster convenient accessibility, PyGDA is released under the MIT license at https://github.com/pygda-team/pygda, and the API documentation is https://pygda.readthedocs.io/en/stable/.

In domains with high stakes such as law, recruitment, and healthcare, learning models frequently rely on sensitive user data for inference, necessitating the complete set of features. This not only poses significant privacy risks for individuals but also demands substantial human effort from organizations to verify information accuracy. This paper asks whether it is necessary to use all input features for accurate predictions at inference time. The paper demonstrates that, in a personalized setting, individuals may only need to disclose a small subset of their features without compromising decision-making accuracy. The paper also provides an efficient sequential algorithm to determine the appropriate attributes for each individual to provide. Evaluations across various learning tasks show that individuals can potentially report as little as 10\% of their information while maintaining the same accuracy level as a model that employs the full set of user information.

Machine learning (ML) has the potential to revolutionize various domains, but its adoption is often hindered by the disconnect between the needs of domain experts and translating these needs into robust and valid ML tools. Despite recent advances in LLM-based co-pilots to democratize ML for non-technical domain experts, these systems remain predominantly focused on model-centric aspects while overlooking critical data-centric challenges. This limitation is problematic in complex real-world settings where raw data often contains complex issues, such as missing values, label noise, and domain-specific nuances requiring tailored handling. To address this we introduce CliMB-DC, a human-guided, data-centric framework for LLM co-pilots that combines advanced data-centric tools with LLM-driven reasoning to enable robust, context-aware data processing. At its core, CliMB-DC introduces a novel, multi-agent reasoning system that combines a strategic coordinator for dynamic planning and adaptation with a specialized worker agent for precise execution. Domain expertise is then systematically incorporated to guide the reasoning process using a human-in-the-loop approach. To guide development, we formalize a taxonomy of key data-centric challenges that co-pilots must address. Thereafter, to address the dimensions of the taxonomy, we integrate state-of-the-art data-centric tools into an extensible, open-source architecture, facilitating the addition of new tools from the research community. Empirically, using real-world healthcare datasets we demonstrate CliMB-DC's ability to transform uncurated datasets into ML-ready formats, significantly outperforming existing co-pilot baselines for handling data-centric challenges. CliMB-DC promises to empower domain experts from diverse domains -- healthcare, finance, social sciences and more -- to actively participate in driving real-world impact using ML.

We show that existing unsupervised methods on large language model (LLM) activations do not discover knowledge -- instead they seem to discover whatever feature of the activations is most prominent. The idea behind unsupervised knowledge elicitation is that knowledge satisfies a consistency structure, which can be used to discover knowledge. We first prove theoretically that arbitrary features (not just knowledge) satisfy the consistency structure of a particular leading unsupervised knowledge-elicitation method, contrast-consistent search (Burns et al. - arXiv:2212.03827). We then present a series of experiments showing settings in which unsupervised methods result in classifiers that do not predict knowledge, but instead predict a different prominent feature. We conclude that existing unsupervised methods for discovering latent knowledge are insufficient, and we contribute sanity checks to apply to evaluating future knowledge elicitation methods. Conceptually, we hypothesise that the identification issues explored here, e.g. distinguishing a model's knowledge from that of a simulated character's, will persist for future unsupervised methods.

End-to-end interpretation currently dominates the remote sensing fine-grained ship classification (RS-FGSC) task. However, the inference process remains uninterpretable, leading to criticisms of these models as "black box" systems. To address this issue, we propose a domain knowledge-enhanced Chain-of-Thought (CoT) prompt generation mechanism, which is used to semi-automatically construct a task-specific instruction-following dataset, TITANIC-FGS. By training on TITANIC-FGS, we adapt general-domain vision-language models (VLMs) to the FGSC task, resulting in a model named IFShip. Building upon IFShip, we develop an FGSC visual chatbot that redefines the FGSC problem as a step-by-step reasoning task and conveys the reasoning process in natural language. Experimental results show that IFShip outperforms state-of-the-art FGSC algorithms in both interpretability and classification accuracy. Furthermore, compared to VLMs such as LLaVA and MiniGPT-4, IFShip demonstrates superior performance on the FGSC task. It provides an accurate chain of reasoning when fine-grained ship types are recognizable to the human eye and offers interpretable explanations when they are not. Our dataset is publicly available at: https://github.com/lostwolves/IFShip.

Information Extraction (IE) systems are traditionally domain-specific, requiring costly adaptation that involves expert schema design, data annotation, and model training. While Large Language Models have shown promise in zero-shot IE, performance degrades significantly in unseen domains where label definitions differ. This paper introduces GUIDEX, a novel method that automatically defines domain-specific schemas, infers guidelines, and generates synthetically labeled instances, allowing for better out-of-domain generalization. Fine-tuning Llama 3.1 with GUIDEX sets a new state-of-the-art across seven zeroshot Named Entity Recognition benchmarks. Models trained with GUIDEX gain up to 7 F1 points over previous methods without humanlabeled data, and nearly 2 F1 points higher when combined with it. Models trained on GUIDEX demonstrate enhanced comprehension of complex, domain-specific annotation schemas. Code, models, and synthetic datasets are available at neilus03.github.io/guidex.com

Large Language Models (LLMs), despite their remarkable progress across various general domains, encounter significant barriers in medicine and healthcare. This field faces unique challenges such as domain-specific terminologies and the reasoning over specialized knowledge. To address these obstinate issues, we propose a novel Multi-disciplinary Collaboration (MC) framework for the medical domain that leverages role-playing LLM-based agents who participate in a collaborative multi-round discussion, thereby enhancing LLM proficiency and reasoning capabilities. This training-free and interpretable framework encompasses five critical steps: gathering domain experts, proposing individual analyses, summarising these analyses into a report, iterating over discussions until a consensus is reached, and ultimately making a decision. Our work particularly focuses on the zero-shot scenario, our results on nine data sets (MedQA, MedMCQA, PubMedQA, and six subtasks from MMLU) establish that our proposed MC framework excels at mining and harnessing the medical expertise in LLMs, as well as extending its reasoning abilities. Based on these outcomes, we further conduct a human evaluation to pinpoint and categorize common errors within our method, as well as ablation studies aimed at understanding the impact of various factors on overall performance. Our code can be found at https://github.com/gersteinlab/MedAgents.

Large language models exhibit promising general capabilities but often lack specialized knowledge for domain-specific tasks. Developing domain experts from a base model enables a range of applications without prohibitive training costs. This work demonstrates a method using continuous training and instruction fine-tuning to rapidly adapt Llama 2 base models to the Chinese medical domain. We first conduct continuous training on 1B tokens from Chinese medical references to teach relevant vocabulary and knowledge. The models are then fine-tuned on 54K examples sourced from the Chinese National Medical Licensing Examination. Experiments on Chinese medical data confirm the effectiveness of this approach, producing a model comparable to GPT-3.5-turbo while using way less computational resource. The resulting domain-specific model could be useful for various Chinese medical applications. More broadly, this provides a template for domain-specific training of large language models in areas where pre-trained models lack the required expertise, such as law, science, and engineering.

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the potential to optimize laboratory operations and fuel a new era of data-driven automation in scientific discovery. However, specialized models are still typically required for each task, leading to the need for problem-specific fine-tuning and neglecting task interrelations. The main obstacle in this field is the lack of a unified representation between natural language and chemical representations, complicating and limiting human-machine interaction. Here, we propose a multi-domain, multi-task language model to solve a wide range of tasks in both the chemical and natural language domains. By leveraging multi-task learning, our model can handle chemical and natural language concurrently, without requiring expensive pre-training on single domains or task-specific models. Interestingly, sharing weights across domains remarkably improves our model when benchmarked against state-of-the-art baselines on single-domain and cross-domain tasks. In particular, sharing information across domains and tasks gives rise to large improvements in cross-domain tasks, the magnitude of which increase with scale, as measured by more than a dozen of relevant metrics. Our work suggests that such models can robustly and efficiently accelerate discovery in physical sciences by superseding problem-specific fine-tuning and enhancing human-model interactions.

Large Language Models (LLMs) have shown remarkable abilities in structured reasoning and symbolic tasks, with coding emerging as a particular area of strength. This success has sparked growing interest in applying LLMs to mathematics, both in informal problem-solving and formal theorem proving. However, progress in formal mathematics has proven to be significantly more difficult, despite surface-level similarities between programming and proof construction. This discrepancy raises important questions about how LLMs ``reason'', how they are supervised, and whether they internally track a notion of computational or deductive state. In this article, we address the state-of-the-art of the discipline, focusing on recent models and benchmarks, and explore three central issues at the intersection of machine learning and mathematical cognition: (i) the trade-offs between formal and informal mathematics as training domains; (ii) the deeper reasons why proof generation remains more brittle than code synthesis; (iii) and the question of whether LLMs represent, or merely mimic, a notion of evolving logical state. Our goal is not to draw hard boundaries, but to identify where the current limits lie, and how they might be extended.

Test-time compute is emerging as a new paradigm for enhancing language models' complex multi-step reasoning capabilities, as demonstrated by the success of OpenAI's o1 and o3, as well as DeepSeek's R1. Compared to explicit reasoning in test-time compute, implicit reasoning is more inference-efficient, requiring fewer generated tokens. However, why does the advanced reasoning capability fail to emerge in the implicit reasoning style? In this work, we train GPT-2 from scratch on a curated multi-step mathematical reasoning dataset and conduct analytical experiments to investigate how language models perform implicit reasoning in multi-step tasks. Our findings reveal: 1) Language models can perform step-by-step reasoning and achieve high accuracy in both in-domain and out-of-domain tests via implicit reasoning. However, this capability only emerges when trained on fixed-pattern data. 2) Conversely, implicit reasoning abilities emerging from training on unfixed-pattern data tend to overfit a specific pattern and fail to generalize further. Notably, this limitation is also observed in state-of-the-art large language models. These findings suggest that language models acquire implicit reasoning through shortcut learning, enabling strong performance on tasks with similar patterns while lacking generalization.

Automated theorem proving (ATP) has become an appealing domain for exploring the reasoning ability of the recent successful generative language models. However, current ATP benchmarks mainly focus on symbolic inference, but rarely involve the understanding of complex number combination reasoning. In this work, we propose TRIGO, an ATP benchmark that not only requires a model to reduce a trigonometric expression with step-by-step proofs but also evaluates a generative LM's reasoning ability on formulas and its capability to manipulate, group, and factor number terms. We gather trigonometric expressions and their reduced forms from the web, annotate the simplification process manually, and translate it into the Lean formal language system. We then automatically generate additional examples from the annotated samples to expand the dataset. Furthermore, we develop an automatic generator based on Lean-Gym to create dataset splits of varying difficulties and distributions in order to thoroughly analyze the model's generalization ability. Our extensive experiments show our proposed TRIGO poses a new challenge for advanced generative LM's including GPT-4 which is pre-trained on a considerable amount of open-source formal theorem-proving language data, and provide a new tool to study the generative LM's ability on both formal and mathematical reasoning.

We propose a novel approach to enhancing the performance and efficiency of large language models (LLMs) by combining domain prompt routing with domain-specialized models. We introduce a system that utilizes a BERT-based router to direct incoming prompts to the most appropriate domain expert model. These expert models are specifically tuned for domains such as health, mathematics and science. Our research demonstrates that this approach can significantly outperform general-purpose models of comparable size, leading to a superior performance-to-cost ratio across various benchmarks. The implications of this study suggest a potential paradigm shift in LLM development and deployment. Rather than focusing solely on creating increasingly large, general-purpose models, the future of AI may lie in developing ecosystems of smaller, highly specialized models coupled with sophisticated routing systems. This approach could lead to more efficient resource utilization, reduced computational costs, and superior overall performance.

ChipNeMo aims to explore the applications of large language models (LLMs) for industrial chip design. Instead of directly deploying off-the-shelf commercial or open-source LLMs, we instead adopt the following domain adaptation techniques: custom tokenizers, domain-adaptive continued pretraining, supervised fine-tuning (SFT) with domain-specific instructions, and domain-adapted retrieval models. We evaluate these methods on three selected LLM applications for chip design: an engineering assistant chatbot, EDA script generation, and bug summarization and analysis. Our results show that these domain adaptation techniques enable significant LLM performance improvements over general-purpose base models across the three evaluated applications, enabling up to 5x model size reduction with similar or better performance on a range of design tasks. Our findings also indicate that there's still room for improvement between our current results and ideal outcomes. We believe that further investigation of domain-adapted LLM approaches will help close this gap in the future.

Formal theorem proving (FTP) has emerged as a critical foundation for evaluating the reasoning capabilities of large language models, enabling automated verification of mathematical proofs at scale. However, progress has been constrained by limited datasets due to the high cost of manual curation and the scarcity of challenging problems with verified formal-informal correspondences. We propose leveraging theoretical computer science (TCS) as a scalable source of rigorous proof problems, where algorithmic definitions enable automated generation of arbitrarily many challenging theorem-proof pairs. We demonstrate this approach on two TCS domains: Busy Beaver problems, which involve proving bounds on Turing machine halting behavior, and Mixed Boolean Arithmetic problems, which combine logical and arithmetic reasoning. Our framework automatically synthesizes problems with parallel formal (Lean4) and informal (Markdown) specifications, creating a scalable pipeline for generating verified proof challenges. Evaluation on frontier models reveals substantial gaps in automated theorem proving: while DeepSeekProver-V2-671B achieves 57.5\% success on Busy Beaver problems, it manages only 12\% on Mixed Boolean Arithmetic problems. These results highlight the difficulty of long-form proof generation even for problems that are computationally easy to verify, demonstrating the value of TCS domains for advancing automated reasoning research.

Reasoning models are large language models that emit a long chain-of-thought before answering, providing both higher accuracy and explicit reasoning for their response. A major question has been whether language model reasoning generalizes beyond mathematics, programming, and logic, where most previous work has focused. We demonstrate that reasoning models can be post-trained for chemistry without additional domain pretraining, and require substantially less data compared to contemporary domain-specific models. We report ether0, a 24B parameter LLM (based on Mistral-Small-24B) that can reason in natural language and respond with chemical structures. This reasoning model was trained with reinforcement learning on 640,730 experimentally-grounded chemistry problems across 375 tasks ranging from synthesizability, to blood-brain barrier permeability, to human receptor activity, to scent. Our model exceeds general-purpose chemistry models, frontier models, and human experts on molecular design tasks. It is also more data efficient relative to specialized models. We anticipate that this method can be applied to train data-efficient language models specialized for tasks across a wide variety of scientific domains.

This survey examines the rapidly evolving field of Deep Research systems -- AI-powered applications that automate complex research workflows through the integration of large language models, advanced information retrieval, and autonomous reasoning capabilities. We analyze more than 80 commercial and non-commercial implementations that have emerged since 2023, including OpenAI/Deep Research, Gemini/Deep Research, Perplexity/Deep Research, and numerous open-source alternatives. Through comprehensive examination, we propose a novel hierarchical taxonomy that categorizes systems according to four fundamental technical dimensions: foundation models and reasoning engines, tool utilization and environmental interaction, task planning and execution control, and knowledge synthesis and output generation. We explore the architectural patterns, implementation approaches, and domain-specific adaptations that characterize these systems across academic, scientific, business, and educational applications. Our analysis reveals both the significant capabilities of current implementations and the technical and ethical challenges they present regarding information accuracy, privacy, intellectual property, and accessibility. The survey concludes by identifying promising research directions in advanced reasoning architectures, multimodal integration, domain specialization, human-AI collaboration, and ecosystem standardization that will likely shape the future evolution of this transformative technology. By providing a comprehensive framework for understanding Deep Research systems, this survey contributes to both the theoretical understanding of AI-augmented knowledge work and the practical development of more capable, responsible, and accessible research technologies. The paper resources can be viewed at https://github.com/scienceaix/deepresearch.

We propose a novel approach for learning interchangeable tokens in language models to obtain an extendable vocabulary that can generalize to new tokens. Our method is designed to address alpha-equivalence, the principle that renaming bound variables in a syntactic expression preserves semantics. This property arises in many formal languages such as temporal logics, in which all proposition symbols represent the same concept but are distinguishable from each other. To handle such tokens, we develop a dual-part embedding approach. The first part is shared across all interchangeable tokens, thereby enforcing that they represent the same core concept. The second part is randomly generated for each token, which enables distinguishability. We evaluate our method in a Transformer encoder-decoder model on two tasks: solving linear temporal logic formulae and copying with extendable vocabulary. Our method demonstrates promising generalization capabilities in addition to introducing a favorable inductive bias for alpha-equivalence.

Reasoning Language Models, capable of extended chain-of-thought reasoning, have demonstrated remarkable performance on tasks requiring complex logical inference. However, applying elaborate reasoning for all queries often results in substantial computational inefficiencies, particularly when many problems admit straightforward solutions. This motivates an open question: Can LLMs learn when to think? To answer this, we propose Thinkless, a learnable framework that empowers an LLM to adaptively select between short-form and long-form reasoning, based on both task complexity and the model's ability. Thinkless is trained under a reinforcement learning paradigm and employs two control tokens, <short> for concise responses and <think> for detailed reasoning. At the core of our method is a Decoupled Group Relative Policy Optimization (DeGRPO) algorithm, which decomposes the learning objective of hybrid reasoning into two components: (1) a control token loss that governs the selection of the reasoning mode, and (2) a response loss that improves the accuracy of the generated answers. This decoupled formulation enables fine-grained control over the contributions of each objective, stabilizing training and effectively preventing collapse observed in vanilla GRPO. Empirically, on several benchmarks such as Minerva Algebra, MATH-500, and GSM8K, Thinkless is able to reduce the usage of long-chain thinking by 50% - 90%, significantly improving the efficiency of Reasoning Language Models. The code is available at https://github.com/VainF/Thinkless