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Nov 6

OG-RAG: Ontology-Grounded Retrieval-Augmented Generation For Large Language Models

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.

  • 3 authors
·
Dec 11, 2024

OntoTune: Ontology-Driven Self-training for Aligning Large Language Models

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.

  • 8 authors
·
Feb 8

Leveraging Large Language Models for Generating Research Topic Ontologies: A Multi-Disciplinary Study

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.

  • 4 authors
·
Aug 28

Heterogeneous LLM Methods for Ontology Learning (Few-Shot Prompting, Ensemble Typing, and Attention-Based Taxonomies)

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

  • 2 authors
·
Aug 26

TONE: A 3-Tiered ONtology for Emotion analysis

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.

  • 3 authors
·
Jan 10, 2024

Linguistic and Structural Basis of Engineering Design Knowledge

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

  • 2 authors
·
Dec 11, 2023

Structured prompt interrogation and recursive extraction of semantics (SPIRES): A method for populating knowledge bases using zero-shot learning

Creating knowledge bases and ontologies is a time consuming task that relies on a manual curation. AI/NLP approaches can assist expert curators in populating these knowledge bases, but current approaches rely on extensive training data, and are not able to populate arbitrary complex nested knowledge schemas. Here we present Structured Prompt Interrogation and Recursive Extraction of Semantics (SPIRES), a Knowledge Extraction approach that relies on the ability of Large Language Models (LLMs) to perform zero-shot learning (ZSL) and general-purpose query answering from flexible prompts and return information conforming to a specified schema. Given a detailed, user-defined knowledge schema and an input text, SPIRES recursively performs prompt interrogation against GPT-3+ to obtain a set of responses matching the provided schema. SPIRES uses existing ontologies and vocabularies to provide identifiers for all matched elements. We present examples of use of SPIRES in different domains, including extraction of food recipes, multi-species cellular signaling pathways, disease treatments, multi-step drug mechanisms, and chemical to disease causation graphs. Current SPIRES accuracy is comparable to the mid-range of existing Relation Extraction (RE) methods, but has the advantage of easy customization, flexibility, and, crucially, the ability to perform new tasks in the absence of any training data. This method supports a general strategy of leveraging the language interpreting capabilities of LLMs to assemble knowledge bases, assisting manual knowledge curation and acquisition while supporting validation with publicly-available databases and ontologies external to the LLM. SPIRES is available as part of the open source OntoGPT package: https://github.com/ monarch-initiative/ontogpt.

  • 12 authors
·
Apr 5, 2023

MechGPT, a language-based strategy for mechanics and materials modeling that connects knowledge across scales, disciplines and modalities

For centuries, researchers have sought out ways to connect disparate areas of knowledge. While early scholars (Galileo, da Vinci, etc.) were experts across fields, specialization has taken hold later. With the advent of Artificial Intelligence, we can now explore relationships across areas (e.g., mechanics-biology) or disparate domains (e.g., failure mechanics-art). To achieve this, we use a fine-tuned Large Language Model (LLM), here for a subset of knowledge in multiscale materials failure. The approach includes the use of a general-purpose LLM to distill question-answer pairs from raw sources followed by LLM fine-tuning. The resulting MechGPT LLM foundation model is used in a series of computational experiments to explore its capacity for knowledge retrieval, various language tasks, hypothesis generation, and connecting knowledge across disparate areas. While the model has some ability to recall knowledge from training, we find that LLMs are particularly useful to extract structural insights through Ontological Knowledge Graphs. These interpretable graph structures provide explanatory insights, frameworks for new research questions, and visual representations of knowledge that also can be used in retrieval-augmented generation. Three versions of MechGPT are discussed, featuring different sizes from 13 billion to 70 billion parameters, and reaching context lengths of more than 10,000 tokens. This provides ample capacity for sophisticated retrieval augmented strategies, as well as agent-based modeling where multiple LLMs interact collaboratively and/or adversarially, the incorporation of new data from the literature or web searches, as well as multimodality.

  • 1 authors
·
Oct 16, 2023

Science Hierarchography: Hierarchical Organization of Science Literature

Scientific knowledge is growing rapidly, making it challenging to track progress and high-level conceptual links across broad disciplines. While existing tools like citation networks and search engines make it easy to access a few related papers, they fundamentally lack the flexible abstraction needed to represent the density of activity in various scientific subfields. We motivate SCIENCE HIERARCHOGRAPHY, the goal of organizing scientific literature into a high-quality hierarchical structure that allows for the categorization of scientific work across varying levels of abstraction, from very broad fields to very specific studies. Such a representation can provide insights into which fields are well-explored and which are under-explored. To achieve the goals of SCIENCE HIERARCHOGRAPHY, we develop a range of algorithms. Our primary approach combines fast embedding-based clustering with LLM-based prompting to balance the computational efficiency of embedding methods with the semantic precision offered by LLM prompting. We demonstrate that this approach offers the best trade-off between quality and speed compared to methods that heavily rely on LLM prompting, such as iterative tree construction with LLMs. To better reflect the interdisciplinary and multifaceted nature of research papers, our hierarchy captures multiple dimensions of categorization beyond simple topic labels. We evaluate the utility of our framework by assessing how effectively an LLM-based agent can locate target papers using the hierarchy. Results show that this structured approach enhances interpretability, supports trend discovery, and offers an alternative pathway for exploring scientific literature beyond traditional search methods. Code, data and demo: https://github.com/JHU-CLSP/science-hierarchography{https://github.com/JHU-CLSP/science-hierarchography}

  • 4 authors
·
Apr 18

What's In Your Field? Mapping Scientific Research with Knowledge Graphs and Large Language Models

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.

  • 4 authors
·
Mar 12

Hyperbolic Large Language Models

Large language models (LLMs) have achieved remarkable success and demonstrated superior performance across various tasks, including natural language processing (NLP), weather forecasting, biological protein folding, text generation, and solving mathematical problems. However, many real-world data exhibit highly non-Euclidean latent hierarchical anatomy, such as protein networks, transportation networks, financial networks, brain networks, and linguistic structures or syntactic trees in natural languages. Effectively learning intrinsic semantic entailment and hierarchical relationships from these raw, unstructured input data using LLMs remains an underexplored area. Due to its effectiveness in modeling tree-like hierarchical structures, hyperbolic geometry -- a non-Euclidean space -- has rapidly gained popularity as an expressive latent representation space for complex data modeling across domains such as graphs, images, languages, and multi-modal data. Here, we provide a comprehensive and contextual exposition of recent advancements in LLMs that leverage hyperbolic geometry as a representation space to enhance semantic representation learning and multi-scale reasoning. Specifically, the paper presents a taxonomy of the principal techniques of Hyperbolic LLMs (HypLLMs) in terms of four main categories: (1) hyperbolic LLMs through exp/log maps; (2) hyperbolic fine-tuned models; (3) fully hyperbolic LLMs, and (4) hyperbolic state-space models. We also explore crucial potential applications and outline future research directions. A repository of key papers, models, datasets, and code implementations is available at https://github.com/sarangp2402/Hyperbolic-LLM-Models/tree/main.

  • 5 authors
·
Sep 6

Ontology-Based Concept Distillation for Radiology Report Retrieval and Labeling

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

  • 3 authors
·
Aug 27

Author Once, Publish Everywhere: Portable Metadata Authoring with the CEDAR Embeddable Editor

High-quality, "rich" metadata are essential for making research data findable, interoperable, and reusable. The Center for Expanded Data Annotation and Retrieval (CEDAR) has long addressed this need by providing tools to design machine-actionable metadata templates that encode community standards in a computable form. To make these capabilities more accessible within real-world research workflows, we have developed the CEDAR Embeddable Editor (CEE)-a lightweight, interoperable Web Component that brings structured, standards-based metadata authoring directly into third-party platforms. The CEE dynamically renders metadata forms from machine-actionable templates and produces semantically rich metadata in JSON-LD format. It supports ontology-based value selection via the BioPortal ontology repository, and it includes external authority resolution for persistent identifiers such as ORCIDs for individuals and RORs for research organizations. Crucially, the CEE requires no custom user-interface development, allowing deployment across diverse platforms. The CEE has been successfully integrated into generalist scientific data repositories such as Dryad and the Open Science Framework, demonstrating its ability to support discipline-specific metadata creation. By supporting the embedding of metadata authoring within existing research environments, the CEE can facilitate the adoption of community standards and help improve metadata quality across scientific disciplines.

  • 6 authors
·
Jul 16

TrialPanorama: Database and Benchmark for Systematic Review and Design of Clinical Trials

Developing artificial intelligence (AI) for vertical domains requires a solid data foundation for both training and evaluation. In this work, we introduce TrialPanorama, a large-scale, structured database comprising 1,657,476 clinical trial records aggregated from 15 global sources. The database captures key aspects of trial design and execution, including trial setups, interventions, conditions, biomarkers, and outcomes, and links them to standard biomedical ontologies such as DrugBank and MedDRA. This structured and ontology-grounded design enables TrialPanorama to serve as a unified, extensible resource for a wide range of clinical trial tasks, including trial planning, design, and summarization. To demonstrate its utility, we derive a suite of benchmark tasks directly from the TrialPanorama database. The benchmark spans eight tasks across two categories: three for systematic review (study search, study screening, and evidence summarization) and five for trial design (arm design, eligibility criteria, endpoint selection, sample size estimation, and trial completion assessment). The experiments using five state-of-the-art large language models (LLMs) show that while general-purpose LLMs exhibit some zero-shot capability, their performance is still inadequate for high-stakes clinical trial workflows. We release TrialPanorama database and the benchmark to facilitate further research on AI for clinical trials.

  • 9 authors
·
May 21

Perturbation Ontology based Graph Attention Networks

In recent years, graph representation learning has undergone a paradigm shift, driven by the emergence and proliferation of graph neural networks (GNNs) and their heterogeneous counterparts. Heterogeneous GNNs have shown remarkable success in extracting low-dimensional embeddings from complex graphs that encompass diverse entity types and relationships. While meta-path-based techniques have long been recognized for their ability to capture semantic affinities among nodes, their dependence on manual specification poses a significant limitation. In contrast, matrix-focused methods accelerate processing by utilizing structural cues but often overlook contextual richness. In this paper, we challenge the current paradigm by introducing ontology as a fundamental semantic primitive within complex graphs. Our goal is to integrate the strengths of both matrix-centric and meta-path-based approaches into a unified framework. We propose perturbation Ontology-based Graph Attention Networks (POGAT), a novel methodology that combines ontology subgraphs with an advanced self-supervised learning paradigm to achieve a deep contextual understanding. The core innovation of POGAT lies in our enhanced homogeneous perturbing scheme designed to generate rigorous negative samples, encouraging the model to explore minimal contextual features more thoroughly. Through extensive empirical evaluations, we demonstrate that POGAT significantly outperforms state-of-the-art baselines, achieving a groundbreaking improvement of up to 10.78\% in F1-score for the critical task of link prediction and 12.01\% in Micro-F1 for the critical task of node classification.

  • 6 authors
·
Nov 27, 2024

Towards A Holistic Landscape of Situated Theory of Mind in Large Language Models

Large Language Models (LLMs) have generated considerable interest and debate regarding their potential emergence of Theory of Mind (ToM). Several recent inquiries reveal a lack of robust ToM in these models and pose a pressing demand to develop new benchmarks, as current ones primarily focus on different aspects of ToM and are prone to shortcuts and data leakage. In this position paper, we seek to answer two road-blocking questions: (1) How can we taxonomize a holistic landscape of machine ToM? (2) What is a more effective evaluation protocol for machine ToM? Following psychological studies, we taxonomize machine ToM into 7 mental state categories and delineate existing benchmarks to identify under-explored aspects of ToM. We argue for a holistic and situated evaluation of ToM to break ToM into individual components and treat LLMs as an agent who is physically situated in environments and socially situated in interactions with humans. Such situated evaluation provides a more comprehensive assessment of mental states and potentially mitigates the risk of shortcuts and data leakage. We further present a pilot study in a grid world setup as a proof of concept. We hope this position paper can facilitate future research to integrate ToM with LLMs and offer an intuitive means for researchers to better position their work in the landscape of ToM. Project page: https://github.com/Mars-tin/awesome-theory-of-mind

  • 4 authors
·
Oct 30, 2023

Automating Intervention Discovery from Scientific Literature: A Progressive Ontology Prompting and Dual-LLM Framework

Identifying effective interventions from the scientific literature is challenging due to the high volume of publications, specialized terminology, and inconsistent reporting formats, making manual curation laborious and prone to oversight. To address this challenge, this paper proposes a novel framework leveraging large language models (LLMs), which integrates a progressive ontology prompting (POP) algorithm with a dual-agent system, named LLM-Duo. On the one hand, the POP algorithm conducts a prioritized breadth-first search (BFS) across a predefined ontology, generating structured prompt templates and action sequences to guide the automatic annotation process. On the other hand, the LLM-Duo system features two specialized LLM agents, an explorer and an evaluator, working collaboratively and adversarially to continuously refine annotation quality. We showcase the real-world applicability of our framework through a case study focused on speech-language intervention discovery. Experimental results show that our approach surpasses advanced baselines, achieving more accurate and comprehensive annotations through a fully automated process. Our approach successfully identified 2,421 interventions from a corpus of 64,177 research articles in the speech-language pathology domain, culminating in the creation of a publicly accessible intervention knowledge base with great potential to benefit the speech-language pathology community.

  • 8 authors
·
Aug 20, 2024

Adposition and Case Supersenses v2.6: Guidelines for English

This document offers a detailed linguistic description of SNACS (Semantic Network of Adposition and Case Supersenses; Schneider et al., 2018), an inventory of 52 semantic labels ("supersenses") that characterize the use of adpositions and case markers at a somewhat coarse level of granularity, as demonstrated in the STREUSLE corpus (https://github.com/nert-nlp/streusle/ ; version 4.5 tracks guidelines version 2.6). Though the SNACS inventory aspires to be universal, this document is specific to English; documentation for other languages will be published separately. Version 2 is a revision of the supersense inventory proposed for English by Schneider et al. (2015, 2016) (henceforth "v1"), which in turn was based on previous schemes. The present inventory was developed after extensive review of the v1 corpus annotations for English, plus previously unanalyzed genitive case possessives (Blodgett and Schneider, 2018), as well as consideration of adposition and case phenomena in Hebrew, Hindi, Korean, and German. Hwang et al. (2017) present the theoretical underpinnings of the v2 scheme. Schneider et al. (2018) summarize the scheme, its application to English corpus data, and an automatic disambiguation task. Liu et al. (2021) offer an English Lexical Semantic Recognition tagger that includes SNACS labels in its output. This documentation can also be browsed alongside corpus data on the Xposition website (Gessler et al., 2022): http://www.xposition.org/

  • 11 authors
·
Apr 7, 2017

Leveraging Large Language Models for Semantic Query Processing in a Scholarly Knowledge Graph

The proposed research aims to develop an innovative semantic query processing system that enables users to obtain comprehensive information about research works produced by Computer Science (CS) researchers at the Australian National University (ANU). The system integrates Large Language Models (LLMs) with the ANU Scholarly Knowledge Graph (ASKG), a structured repository of all research-related artifacts produced at ANU in the CS field. Each artifact and its parts are represented as textual nodes stored in a Knowledge Graph (KG). To address the limitations of traditional scholarly KG construction and utilization methods, which often fail to capture fine-grained details, we propose a novel framework that integrates the Deep Document Model (DDM) for comprehensive document representation and the KG-enhanced Query Processing (KGQP) for optimized complex query handling. DDM enables a fine-grained representation of the hierarchical structure and semantic relationships within academic papers, while KGQP leverages the KG structure to improve query accuracy and efficiency with LLMs. By combining the ASKG with LLMs, our approach enhances knowledge utilization and natural language understanding capabilities. The proposed system employs an automatic LLM-SPARQL fusion to retrieve relevant facts and textual nodes from the ASKG. Initial experiments demonstrate that our framework is superior to baseline methods in terms of accuracy retrieval and query efficiency. We showcase the practical application of our framework in academic research scenarios, highlighting its potential to revolutionize scholarly knowledge management and discovery. This work empowers researchers to acquire and utilize knowledge from documents more effectively and provides a foundation for developing precise and reliable interactions with LLMs.

  • 4 authors
·
May 24, 2024

NLU++: A Multi-Label, Slot-Rich, Generalisable Dataset for Natural Language Understanding in Task-Oriented Dialogue

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.

  • 4 authors
·
Apr 27, 2022

Large Language Models for History, Philosophy, and Sociology of Science: Interpretive Uses, Methodological Challenges, and Critical Perspectives

This paper explores the use of large language models (LLMs) as research tools in the history, philosophy, and sociology of science (HPSS). LLMs are remarkably effective at processing unstructured text and inferring meaning from context, offering new affordances that challenge long-standing divides between computational and interpretive methods. This raises both opportunities and challenges for HPSS, which emphasizes interpretive methodologies and understands meaning as context-dependent, ambiguous, and historically situated. We argue that HPSS is uniquely positioned not only to benefit from LLMs' capabilities but also to interrogate their epistemic assumptions and infrastructural implications. To this end, we first offer a concise primer on LLM architectures and training paradigms tailored to non-technical readers. We frame LLMs not as neutral tools but as epistemic infrastructures that encode assumptions about meaning, context, and similarity, conditioned by their training data, architecture, and patterns of use. We then examine how computational techniques enhanced by LLMs, such as structuring data, detecting patterns, and modeling dynamic processes, can be applied to support interpretive research in HPSS. Our analysis compares full-context and generative models, outlines strategies for domain and task adaptation (e.g., continued pretraining, fine-tuning, and retrieval-augmented generation), and evaluates their respective strengths and limitations for interpretive inquiry in HPSS. We conclude with four lessons for integrating LLMs into HPSS: (1) model selection involves interpretive trade-offs; (2) LLM literacy is foundational; (3) HPSS must define its own benchmarks and corpora; and (4) LLMs should enhance, not replace, interpretive methods.

  • 3 authors
·
Jun 13

Talking to GDELT Through Knowledge Graphs

In this work we study various Retrieval Augmented Regeneration (RAG) approaches to gain an understanding of the strengths and weaknesses of each approach in a question-answering analysis. To gain this understanding we use a case-study subset of the Global Database of Events, Language, and Tone (GDELT) dataset as well as a corpus of raw text scraped from the online news articles. To retrieve information from the text corpus we implement a traditional vector store RAG as well as state-of-the-art large language model (LLM) based approaches for automatically constructing KGs and retrieving the relevant subgraphs. In addition to these corpus approaches, we develop a novel ontology-based framework for constructing knowledge graphs (KGs) from GDELT directly which leverages the underlying schema of GDELT to create structured representations of global events. For retrieving relevant information from the ontology-based KGs we implement both direct graph queries and state-of-the-art graph retrieval approaches. We compare the performance of each method in a question-answering task. We find that while our ontology-based KGs are valuable for question-answering, automated extraction of the relevant subgraphs is challenging. Conversely, LLM-generated KGs, while capturing event summaries, often lack consistency and interpretability. Our findings suggest benefits of a synergistic approach between ontology and LLM-based KG construction, with proposed avenues toward that end.

  • 7 authors
·
Mar 10

Language Models as Inductive Reasoners

Inductive reasoning is a core component of human intelligence. In the past research of inductive reasoning within computer science, formal language is used as representations of knowledge (facts and rules, more specifically). However, formal language can cause systematic problems for inductive reasoning such as disability of handling raw input such as natural language, sensitiveness to mislabeled data, and incapacity to handle ambiguous input. To this end, we propose a new paradigm (task) for inductive reasoning, which is to induce natural language rules from natural language facts, and create a dataset termed DEER containing 1.2k rule-fact pairs for the task, where rules and facts are written in natural language. New automatic metrics are also proposed and analysed for the evaluation of this task. With DEER, we investigate a modern approach for inductive reasoning where we use natural language as representation for knowledge instead of formal language and use pretrained language models as ''reasoners''. Moreover, we provide the first and comprehensive analysis of how well pretrained language models can induce natural language rules from natural language facts. We also propose a new framework drawing insights from philosophy literature for this task, which we show in the experiment section that surpasses baselines in both automatic and human evaluations. We discuss about our future perspectives for inductive reasoning in Section 7. Dataset and code are available at https://github.com/ZonglinY/Inductive_Reasoning.

  • 8 authors
·
Dec 21, 2022

Establishing Knowledge Preference in Language Models

Language models are known to encode a great amount of factual knowledge through pretraining. However, such knowledge might be insufficient to cater to user requests, requiring the model to integrate external knowledge sources and adhere to user-provided specifications. When answering questions about ongoing events, the model should use recent news articles to update its response; when asked to provide recommendations, the model should prioritize user specifications over retrieved product reviews; when some facts are edited in the model, the updated facts should override all prior knowledge learned by the model even if they are conflicting. In all of the cases above, the model faces a decision between its own parametric knowledge, (retrieved) contextual knowledge, and user instruction knowledge. In this paper, we (1) unify such settings into the problem of knowledge preference and define a three-level preference hierarchy over these knowledge sources; (2) compile a collection of existing datasets IfQA, MQuAKE, and MRQA covering a combination of settings (with/without user specifications, with/without context documents) to systematically evaluate how well models obey the intended knowledge preference; and (3) propose a dataset synthesis method that composes diverse question-answer pairs with user assumptions and related context to directly fine-tune LMs for instilling the hierarchy of knowledge. We demonstrate that a 7B model, fine-tuned on only a few thousand examples automatically generated by our proposed method, effectively achieves superior performance (more than 18% improvement across all evaluation benchmarks) in adhering to the desired knowledge preference hierarchy.

  • 6 authors
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Jul 17, 2024

Ragnarök: A Reusable RAG Framework and Baselines for TREC 2024 Retrieval-Augmented Generation Track

Did you try out the new Bing Search? Or maybe you fiddled around with Google AI~Overviews? These might sound familiar because the modern-day search stack has recently evolved to include retrieval-augmented generation (RAG) systems. They allow searching and incorporating real-time data into large language models (LLMs) to provide a well-informed, attributed, concise summary in contrast to the traditional search paradigm that relies on displaying a ranked list of documents. Therefore, given these recent advancements, it is crucial to have an arena to build, test, visualize, and systematically evaluate RAG-based search systems. With this in mind, we propose the TREC 2024 RAG Track to foster innovation in evaluating RAG systems. In our work, we lay out the steps we've made towards making this track a reality -- we describe the details of our reusable framework, Ragnar\"ok, explain the curation of the new MS MARCO V2.1 collection choice, release the development topics for the track, and standardize the I/O definitions which assist the end user. Next, using Ragnar\"ok, we identify and provide key industrial baselines such as OpenAI's GPT-4o or Cohere's Command R+. Further, we introduce a web-based user interface for an interactive arena allowing benchmarking pairwise RAG systems by crowdsourcing. We open-source our Ragnar\"ok framework and baselines to achieve a unified standard for future RAG systems.

  • 8 authors
·
Jun 24, 2024

A Change Language for Ontologies and Knowledge Graphs

Ontologies and knowledge graphs (KGs) are general-purpose computable representations of some domain, such as human anatomy, and are frequently a crucial part of modern information systems. Most of these structures change over time, incorporating new knowledge or information that was previously missing. Managing these changes is a challenge, both in terms of communicating changes to users, and providing mechanisms to make it easier for multiple stakeholders to contribute. To fill that need, we have created KGCL, the Knowledge Graph Change Language, a standard data model for describing changes to KGs and ontologies at a high level, and an accompanying human-readable controlled natural language. This language serves two purposes: a curator can use it to request desired changes, and it can also be used to describe changes that have already happened, corresponding to the concepts of "apply patch" and "diff" commonly used for managing changes in text documents and computer programs. Another key feature of KGCL is that descriptions are at a high enough level to be useful and understood by a variety of stakeholders--for example, ontology edits can be specified by commands like "add synonym 'arm' to 'forelimb'" or "move 'Parkinson disease' under 'neurodegenerative disease'". We have also built a suite of tools for managing ontology changes. These include an automated agent that integrates with and monitors GitHub ontology repositories and applies any requested changes, and a new component in the BioPortal ontology resource that allows users to make change requests directly from within the BioPortal user interface. Overall, the KGCL data model, its controlled natural language, and associated tooling allow for easier management and processing of changes associated with the development of ontologies and KGs.

  • 12 authors
·
Sep 20, 2024

Digital Gene: Learning about the Physical World through Analytic Concepts

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?

  • 2 authors
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Apr 5

AI4Research: A Survey of Artificial Intelligence for Scientific Research

Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs) such as OpenAI-o1 and DeepSeek-R1, have demonstrated remarkable capabilities in complex domains such as logical reasoning and experimental coding. Motivated by these advancements, numerous studies have explored the application of AI in the innovation process, particularly in the context of scientific research. These AI technologies primarily aim to develop systems that can autonomously conduct research processes across a wide range of scientific disciplines. Despite these significant strides, a comprehensive survey on AI for Research (AI4Research) remains absent, which hampers our understanding and impedes further development in this field. To address this gap, we present a comprehensive survey and offer a unified perspective on AI4Research. Specifically, the main contributions of our work are as follows: (1) Systematic taxonomy: We first introduce a systematic taxonomy to classify five mainstream tasks in AI4Research. (2) New frontiers: Then, we identify key research gaps and highlight promising future directions, focusing on the rigor and scalability of automated experiments, as well as the societal impact. (3) Abundant applications and resources: Finally, we compile a wealth of resources, including relevant multidisciplinary applications, data corpora, and tools. We hope our work will provide the research community with quick access to these resources and stimulate innovative breakthroughs in AI4Research.

  • 16 authors
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Jul 2

Accelerating Scientific Discovery with Generative Knowledge Extraction, Graph-Based Representation, and Multimodal Intelligent Graph Reasoning

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

  • 1 authors
·
Mar 18, 2024

Exploring Non-Verbal Predicates in Semantic Role Labeling: Challenges and Opportunities

Although we have witnessed impressive progress in Semantic Role Labeling (SRL), most of the research in the area is carried out assuming that the majority of predicates are verbs. Conversely, predicates can also be expressed using other parts of speech, e.g., nouns and adjectives. However, non-verbal predicates appear in the benchmarks we commonly use to measure progress in SRL less frequently than in some real-world settings -- newspaper headlines, dialogues, and tweets, among others. In this paper, we put forward a new PropBank dataset which boasts wide coverage of multiple predicate types. Thanks to it, we demonstrate empirically that standard benchmarks do not provide an accurate picture of the current situation in SRL and that state-of-the-art systems are still incapable of transferring knowledge across different predicate types. Having observed these issues, we also present a novel, manually-annotated challenge set designed to give equal importance to verbal, nominal, and adjectival predicate-argument structures. We use such dataset to investigate whether we can leverage different linguistic resources to promote knowledge transfer. In conclusion, we claim that SRL is far from "solved", and its integration with other semantic tasks might enable significant improvements in the future, especially for the long tail of non-verbal predicates, thereby facilitating further research on SRL for non-verbal predicates.

  • 3 authors
·
Jul 4, 2023

Domain and Function: A Dual-Space Model of Semantic Relations and Compositions

Given appropriate representations of the semantic relations between carpenter and wood and between mason and stone (for example, vectors in a vector space model), a suitable algorithm should be able to recognize that these relations are highly similar (carpenter is to wood as mason is to stone; the relations are analogous). Likewise, with representations of dog, house, and kennel, an algorithm should be able to recognize that the semantic composition of dog and house, dog house, is highly similar to kennel (dog house and kennel are synonymous). It seems that these two tasks, recognizing relations and compositions, are closely connected. However, up to now, the best models for relations are significantly different from the best models for compositions. In this paper, we introduce a dual-space model that unifies these two tasks. This model matches the performance of the best previous models for relations and compositions. The dual-space model consists of a space for measuring domain similarity and a space for measuring function similarity. Carpenter and wood share the same domain, the domain of carpentry. Mason and stone share the same domain, the domain of masonry. Carpenter and mason share the same function, the function of artisans. Wood and stone share the same function, the function of materials. In the composition dog house, kennel has some domain overlap with both dog and house (the domains of pets and buildings). The function of kennel is similar to the function of house (the function of shelters). By combining domain and function similarities in various ways, we can model relations, compositions, and other aspects of semantics.

  • 1 authors
·
Sep 16, 2013

HIRAG: Hierarchical-Thought Instruction-Tuning Retrieval-Augmented Generation

Retrieval-augmented generation (RAG) has become a fundamental paradigm for addressing the challenges faced by large language models in handling real-time information and domain-specific problems. Traditional RAG systems primarily rely on the in-context learning (ICL) capabilities of the large language model itself. Still, in-depth research on the specific capabilities needed by the RAG generation model is lacking, leading to challenges with inconsistent document quality and retrieval system imperfections. Even the limited studies that fine-tune RAG generative models often lack a granular focus on RAG task or a deeper utilization of chain-of-thought processes. To address this, we propose that RAG models should possess three progressively hierarchical abilities (1) Filtering: the ability to select relevant information; (2) Combination: the ability to combine semantic information across paragraphs; and (3) RAG-specific reasoning: the ability to further process external knowledge using internal knowledge. Thus, we introduce our new RAG instruction fine-tuning method, Hierarchical-Thought Instruction-Tuning Retrieval-Augmented Generation (HIRAG) incorporates a "think before answering" strategy. This method enhances the model's open-book examination capability by utilizing multi-level progressive chain-of-thought. Experiments show that the HIRAG training strategy significantly improves the model's performance on datasets such as RGB, PopQA, MuSiQue, HotpotQA, and PubmedQA.

  • 7 authors
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Jul 8

A Comprehensive Survey of Deep Research: Systems, Methodologies, and Applications

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.

  • 2 authors
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Jun 14

GENEVA: Benchmarking Generalizability for Event Argument Extraction with Hundreds of Event Types and Argument Roles

Recent works in Event Argument Extraction (EAE) have focused on improving model generalizability to cater to new events and domains. However, standard benchmarking datasets like ACE and ERE cover less than 40 event types and 25 entity-centric argument roles. Limited diversity and coverage hinder these datasets from adequately evaluating the generalizability of EAE models. In this paper, we first contribute by creating a large and diverse EAE ontology. This ontology is created by transforming FrameNet, a comprehensive semantic role labeling (SRL) dataset for EAE, by exploiting the similarity between these two tasks. Then, exhaustive human expert annotations are collected to build the ontology, concluding with 115 events and 220 argument roles, with a significant portion of roles not being entities. We utilize this ontology to further introduce GENEVA, a diverse generalizability benchmarking dataset comprising four test suites, aimed at evaluating models' ability to handle limited data and unseen event type generalization. We benchmark six EAE models from various families. The results show that owing to non-entity argument roles, even the best-performing model can only achieve 39% F1 score, indicating how GENEVA provides new challenges for generalization in EAE. Overall, our large and diverse EAE ontology can aid in creating more comprehensive future resources, while GENEVA is a challenging benchmarking dataset encouraging further research for improving generalizability in EAE. The code and data can be found at https://github.com/PlusLabNLP/GENEVA.

  • 5 authors
·
May 25, 2022

T-RAG: Lessons from the LLM Trenches

Large Language Models (LLM) have shown remarkable language capabilities fueling attempts to integrate them into applications across a wide range of domains. An important application area is question answering over private enterprise documents where the main considerations are data security, which necessitates applications that can be deployed on-prem, limited computational resources and the need for a robust application that correctly responds to queries. Retrieval-Augmented Generation (RAG) has emerged as the most prominent framework for building LLM-based applications. While building a RAG is relatively straightforward, making it robust and a reliable application requires extensive customization and relatively deep knowledge of the application domain. We share our experiences building and deploying an LLM application for question answering over private organizational documents. Our application combines the use of RAG with a finetuned open-source LLM. Additionally, our system, which we call Tree-RAG (T-RAG), uses a tree structure to represent entity hierarchies within the organization. This is used to generate a textual description to augment the context when responding to user queries pertaining to entities within the organization's hierarchy. Our evaluations show that this combination performs better than a simple RAG or finetuning implementation. Finally, we share some lessons learned based on our experiences building an LLM application for real-world use.

  • 3 authors
·
Feb 12, 2024

Do LLMs Really Adapt to Domains? An Ontology Learning Perspective

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.

  • 3 authors
·
Jul 29, 2024

COFAR: Commonsense and Factual Reasoning in Image Search

One characteristic that makes humans superior to modern artificially intelligent models is the ability to interpret images beyond what is visually apparent. Consider the following two natural language search queries - (i) "a queue of customers patiently waiting to buy ice cream" and (ii) "a queue of tourists going to see a famous Mughal architecture in India." Interpreting these queries requires one to reason with (i) Commonsense such as interpreting people as customers or tourists, actions as waiting to buy or going to see; and (ii) Fact or world knowledge associated with named visual entities, for example, whether the store in the image sells ice cream or whether the landmark in the image is a Mughal architecture located in India. Such reasoning goes beyond just visual recognition. To enable both commonsense and factual reasoning in the image search, we present a unified framework, namely Knowledge Retrieval-Augmented Multimodal Transformer (KRAMT), that treats the named visual entities in an image as a gateway to encyclopedic knowledge and leverages them along with natural language query to ground relevant knowledge. Further, KRAMT seamlessly integrates visual content and grounded knowledge to learn alignment between images and search queries. This unified framework is then used to perform image search requiring commonsense and factual reasoning. The retrieval performance of KRAMT is evaluated and compared with related approaches on a new dataset we introduce - namely COFAR. We make our code and dataset available at https://vl2g.github.io/projects/cofar

  • 6 authors
·
Oct 16, 2022

Joint Reasoning on Hybrid-knowledge sources for Task-Oriented Dialog

Traditional systems designed for task oriented dialog utilize knowledge present only in structured knowledge sources to generate responses. However, relevant information required to generate responses may also reside in unstructured sources, such as documents. Recent state of the art models such as HyKnow and SeKnow aimed at overcoming these challenges make limiting assumptions about the knowledge sources. For instance, these systems assume that certain types of information, such as a phone number, is always present in a structured knowledge base (KB) while information about aspects such as entrance ticket prices, would always be available in documents. In this paper, we create a modified version of the MutliWOZ-based dataset prepared by SeKnow to demonstrate how current methods have significant degradation in performance when strict assumptions about the source of information are removed. Then, in line with recent work exploiting pre-trained language models, we fine-tune a BART based model using prompts for the tasks of querying knowledge sources, as well as, for response generation, without making assumptions about the information present in each knowledge source. Through a series of experiments, we demonstrate that our model is robust to perturbations to knowledge modality (source of information), and that it can fuse information from structured as well as unstructured knowledge to generate responses.

  • 3 authors
·
Oct 13, 2022 2

OntoChatGPT Information System: Ontology-Driven Structured Prompts for ChatGPT Meta-Learning

This research presents a comprehensive methodology for utilizing an ontology-driven structured prompts system in interplay with ChatGPT, a widely used large language model (LLM). The study develops formal models, both information and functional, and establishes the methodological foundations for integrating ontology-driven prompts with ChatGPT's meta-learning capabilities. The resulting productive triad comprises the methodological foundations, advanced information technology, and the OntoChatGPT system, which collectively enhance the effectiveness and performance of chatbot systems. The implementation of this technology is demonstrated using the Ukrainian language within the domain of rehabilitation. By applying the proposed methodology, the OntoChatGPT system effectively extracts entities from contexts, classifies them, and generates relevant responses. The study highlights the versatility of the methodology, emphasizing its applicability not only to ChatGPT but also to other chatbot systems based on LLMs, such as Google's Bard utilizing the PaLM 2 LLM. The underlying principles of meta-learning, structured prompts, and ontology-driven information retrieval form the core of the proposed methodology, enabling their adaptation and utilization in various LLM-based systems. This versatile approach opens up new possibilities for NLP and dialogue systems, empowering developers to enhance the performance and functionality of chatbot systems across different domains and languages.

  • 4 authors
·
Jul 11, 2023

What it takes to solve the Origin(s) of Life: An integrated review of techniques

Understanding the origin(s) of life (OoL) is a fundamental challenge for science in the 21st century. Research on OoL spans many disciplines, including chemistry, physics, biology, planetary sciences, computer science, mathematics and philosophy. The sheer number of different scientific perspectives relevant to the problem has resulted in the coexistence of diverse tools, techniques, data, and software in OoL studies. This has made communication between the disciplines relevant to the OoL extremely difficult because the interpretation of data, analyses, or standards of evidence can vary dramatically. Here, we hope to bridge this wide field of study by providing common ground via the consolidation of tools and techniques rather than positing a unifying view on how life emerges. We review the common tools and techniques that have been used significantly in OoL studies in recent years. In particular, we aim to identify which information is most relevant for comparing and integrating the results of experimental analyses into mathematical and computational models. This review aims to provide a baseline expectation and understanding of technical aspects of origins research, rather than being a primer on any particular topic. As such, it spans broadly -- from analytical chemistry to mathematical models -- and highlights areas of future work that will benefit from a multidisciplinary approach to tackling the mystery of life's origin. Ultimately, we hope to empower a new generation of OoL scientists by reviewing how they can investigate life's origin, rather than dictating how to think about the problem.

  • 38 authors
·
Aug 22, 2023

SCP-116K: A High-Quality Problem-Solution Dataset and a Generalized Pipeline for Automated Extraction in the Higher Education Science Domain

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.

  • 8 authors
·
Jan 26

MeSH Suggester: A Library and System for MeSH Term Suggestion for Systematic Review Boolean Query Construction

Boolean query construction is often critical for medical systematic review literature search. To create an effective Boolean query, systematic review researchers typically spend weeks coming up with effective query terms and combinations. One challenge to creating an effective systematic review Boolean query is the selection of effective MeSH Terms to include in the query. In our previous work, we created neural MeSH term suggestion methods and compared them to state-of-the-art MeSH term suggestion methods. We found neural MeSH term suggestion methods to be highly effective. In this demonstration, we build upon our previous work by creating (1) a Web-based MeSH term suggestion prototype system that allows users to obtain suggestions from a number of underlying methods and (2) a Python library that implements ours and others' MeSH term suggestion methods and that is aimed at researchers who want to further investigate, create or deploy such type of methods. We describe the architecture of the web-based system and how to use it for the MeSH term suggestion task. For the Python library, we describe how the library can be used for advancing further research and experimentation, and we validate the results of the methods contained in the library on standard datasets. Our web-based prototype system is available at http://ielab-mesh-suggest.uqcloud.net, while our Python library is at https://github.com/ielab/meshsuggestlib.

  • 3 authors
·
Dec 18, 2022

RAG-Anything: All-in-One RAG Framework

Retrieval-Augmented Generation (RAG) has emerged as a fundamental paradigm for expanding Large Language Models beyond their static training limitations. However, a critical misalignment exists between current RAG capabilities and real-world information environments. Modern knowledge repositories are inherently multimodal, containing rich combinations of textual content, visual elements, structured tables, and mathematical expressions. Yet existing RAG frameworks are limited to textual content, creating fundamental gaps when processing multimodal documents. We present RAG-Anything, a unified framework that enables comprehensive knowledge retrieval across all modalities. Our approach reconceptualizes multimodal content as interconnected knowledge entities rather than isolated data types. The framework introduces dual-graph construction to capture both cross-modal relationships and textual semantics within a unified representation. We develop cross-modal hybrid retrieval that combines structural knowledge navigation with semantic matching. This enables effective reasoning over heterogeneous content where relevant evidence spans multiple modalities. RAG-Anything demonstrates superior performance on challenging multimodal benchmarks, achieving significant improvements over state-of-the-art methods. Performance gains become particularly pronounced on long documents where traditional approaches fail. Our framework establishes a new paradigm for multimodal knowledge access, eliminating the architectural fragmentation that constrains current systems. Our framework is open-sourced at: https://github.com/HKUDS/RAG-Anything.

Do As I Can, Not As I Say: Grounding Language in Robotic Affordances

Large language models can encode a wealth of semantic knowledge about the world. Such knowledge could be extremely useful to robots aiming to act upon high-level, temporally extended instructions expressed in natural language. However, a significant weakness of language models is that they lack real-world experience, which makes it difficult to leverage them for decision making within a given embodiment. For example, asking a language model to describe how to clean a spill might result in a reasonable narrative, but it may not be applicable to a particular agent, such as a robot, that needs to perform this task in a particular environment. We propose to provide real-world grounding by means of pretrained skills, which are used to constrain the model to propose natural language actions that are both feasible and contextually appropriate. The robot can act as the language model's "hands and eyes," while the language model supplies high-level semantic knowledge about the task. We show how low-level skills can be combined with large language models so that the language model provides high-level knowledge about the procedures for performing complex and temporally-extended instructions, while value functions associated with these skills provide the grounding necessary to connect this knowledge to a particular physical environment. We evaluate our method on a number of real-world robotic tasks, where we show the need for real-world grounding and that this approach is capable of completing long-horizon, abstract, natural language instructions on a mobile manipulator. The project's website and the video can be found at https://say-can.github.io/.

  • 45 authors
·
Apr 4, 2022

Hippocrates: An Open-Source Framework for Advancing Large Language Models in Healthcare

The integration of Large Language Models (LLMs) into healthcare promises to transform medical diagnostics, research, and patient care. Yet, the progression of medical LLMs faces obstacles such as complex training requirements, rigorous evaluation demands, and the dominance of proprietary models that restrict academic exploration. Transparent, comprehensive access to LLM resources is essential for advancing the field, fostering reproducibility, and encouraging innovation in healthcare AI. We present Hippocrates, an open-source LLM framework specifically developed for the medical domain. In stark contrast to previous efforts, it offers unrestricted access to its training datasets, codebase, checkpoints, and evaluation protocols. This open approach is designed to stimulate collaborative research, allowing the community to build upon, refine, and rigorously evaluate medical LLMs within a transparent ecosystem. Also, we introduce Hippo, a family of 7B models tailored for the medical domain, fine-tuned from Mistral and LLaMA2 through continual pre-training, instruction tuning, and reinforcement learning from human and AI feedback. Our models outperform existing open medical LLMs models by a large-margin, even surpassing models with 70B parameters. Through Hippocrates, we aspire to unlock the full potential of LLMs not just to advance medical knowledge and patient care but also to democratize the benefits of AI research in healthcare, making them available across the globe.

  • 7 authors
·
Apr 25, 2024

CHIME: LLM-Assisted Hierarchical Organization of Scientific Studies for Literature Review Support

Literature review requires researchers to synthesize a large amount of information and is increasingly challenging as the scientific literature expands. In this work, we investigate the potential of LLMs for producing hierarchical organizations of scientific studies to assist researchers with literature review. We define hierarchical organizations as tree structures where nodes refer to topical categories and every node is linked to the studies assigned to that category. Our naive LLM-based pipeline for hierarchy generation from a set of studies produces promising yet imperfect hierarchies, motivating us to collect CHIME, an expert-curated dataset for this task focused on biomedicine. Given the challenging and time-consuming nature of building hierarchies from scratch, we use a human-in-the-loop process in which experts correct errors (both links between categories and study assignment) in LLM-generated hierarchies. CHIME contains 2,174 LLM-generated hierarchies covering 472 topics, and expert-corrected hierarchies for a subset of 100 topics. Expert corrections allow us to quantify LLM performance, and we find that while they are quite good at generating and organizing categories, their assignment of studies to categories could be improved. We attempt to train a corrector model with human feedback which improves study assignment by 12.6 F1 points. We release our dataset and models to encourage research on developing better assistive tools for literature review.

  • 8 authors
·
Jul 22, 2024

MeSH Term Suggestion for Systematic Review Literature Search

High-quality medical systematic reviews require comprehensive literature searches to ensure the recommendations and outcomes are sufficiently reliable. Indeed, searching for relevant medical literature is a key phase in constructing systematic reviews and often involves domain (medical researchers) and search (information specialists) experts in developing the search queries. Queries in this context are highly complex, based on Boolean logic, include free-text terms and index terms from standardised terminologies (e.g., MeSH), and are difficult and time-consuming to build. The use of MeSH terms, in particular, has been shown to improve the quality of the search results. However, identifying the correct MeSH terms to include in a query is difficult: information experts are often unfamiliar with the MeSH database and unsure about the appropriateness of MeSH terms for a query. Naturally, the full value of the MeSH terminology is often not fully exploited. This paper investigates methods to suggest MeSH terms based on an initial Boolean query that includes only free-text terms. These methods promise to automatically identify highly effective MeSH terms for inclusion in a systematic review query. Our study contributes an empirical evaluation of several MeSH term suggestion methods. We perform an extensive analysis of the retrieval, ranking, and refinement of MeSH term suggestions for each method and how these suggestions impact the effectiveness of Boolean queries.

  • 5 authors
·
Dec 1, 2021

Medical Graph RAG: Towards Safe Medical Large Language Model via Graph Retrieval-Augmented Generation

We introduce a novel graph-based Retrieval-Augmented Generation (RAG) framework specifically designed for the medical domain, called MedGraphRAG, aimed at enhancing Large Language Model (LLM) capabilities and generating evidence-based results, thereby improving safety and reliability when handling private medical data. Our comprehensive pipeline begins with a hybrid static-semantic approach to document chunking, significantly improving context capture over traditional methods. Extracted entities are used to create a three-tier hierarchical graph structure, linking entities to foundational medical knowledge sourced from medical papers and dictionaries. These entities are then interconnected to form meta-graphs, which are merged based on semantic similarities to develop a comprehensive global graph. This structure supports precise information retrieval and response generation. The retrieval process employs a U-retrieve method to balance global awareness and indexing efficiency of the LLM. Our approach is validated through a comprehensive ablation study comparing various methods for document chunking, graph construction, and information retrieval. The results not only demonstrate that our hierarchical graph construction method consistently outperforms state-of-the-art models on multiple medical Q\&A benchmarks, but also confirms that the responses generated include source documentation, significantly enhancing the reliability of medical LLMs in practical applications. Code will be at: https://github.com/MedicineToken/Medical-Graph-RAG/tree/main

  • 3 authors
·
Aug 7, 2024

World Simulation with Video Foundation Models for Physical AI

We introduce [Cosmos-Predict2.5], the latest generation of the Cosmos World Foundation Models for Physical AI. Built on a flow-based architecture, [Cosmos-Predict2.5] unifies Text2World, Image2World, and Video2World generation in a single model and leverages [Cosmos-Reason1], a Physical AI vision-language model, to provide richer text grounding and finer control of world simulation. Trained on 200M curated video clips and refined with reinforcement learning-based post-training, [Cosmos-Predict2.5] achieves substantial improvements over [Cosmos-Predict1] in video quality and instruction alignment, with models released at 2B and 14B scales. These capabilities enable more reliable synthetic data generation, policy evaluation, and closed-loop simulation for robotics and autonomous systems. We further extend the family with [Cosmos-Transfer2.5], a control-net style framework for Sim2Real and Real2Real world translation. Despite being 3.5times smaller than [Cosmos-Transfer1], it delivers higher fidelity and robust long-horizon video generation. Together, these advances establish [Cosmos-Predict2.5] and [Cosmos-Transfer2.5] as versatile tools for scaling embodied intelligence. To accelerate research and deployment in Physical AI, we release source code, pretrained checkpoints, and curated benchmarks under the NVIDIA Open Model License at https://github.com/nvidia-cosmos/cosmos-predict2.5 and https://github.com/nvidia-cosmos/cosmos-transfer2.5. We hope these open resources lower the barrier to adoption and foster innovation in building the next generation of embodied intelligence.

Illuminating search spaces by mapping elites

Many fields use search algorithms, which automatically explore a search space to find high-performing solutions: chemists search through the space of molecules to discover new drugs; engineers search for stronger, cheaper, safer designs, scientists search for models that best explain data, etc. The goal of search algorithms has traditionally been to return the single highest-performing solution in a search space. Here we describe a new, fundamentally different type of algorithm that is more useful because it provides a holistic view of how high-performing solutions are distributed throughout a search space. It creates a map of high-performing solutions at each point in a space defined by dimensions of variation that a user gets to choose. This Multi-dimensional Archive of Phenotypic Elites (MAP-Elites) algorithm illuminates search spaces, allowing researchers to understand how interesting attributes of solutions combine to affect performance, either positively or, equally of interest, negatively. For example, a drug company may wish to understand how performance changes as the size of molecules and their cost-to-produce vary. MAP-Elites produces a large diversity of high-performing, yet qualitatively different solutions, which can be more helpful than a single, high-performing solution. Interestingly, because MAP-Elites explores more of the search space, it also tends to find a better overall solution than state-of-the-art search algorithms. We demonstrate the benefits of this new algorithm in three different problem domains ranging from producing modular neural networks to designing simulated and real soft robots. Because MAP- Elites (1) illuminates the relationship between performance and dimensions of interest in solutions, (2) returns a set of high-performing, yet diverse solutions, and (3) improves finding a single, best solution, it will advance science and engineering.

  • 2 authors
·
Apr 19, 2015

Critical-Questions-of-Thought: Steering LLM reasoning with Argumentative Querying

Studies have underscored how, regardless of the recent breakthrough and swift advances in AI research, even state-of-the-art Large Language models (LLMs) continue to struggle when performing logical and mathematical reasoning. The results seem to suggest that LLMs still work as (highly advanced) data pattern identifiers, scoring poorly when attempting to generalise and solve reasoning problems the models have never previously seen or that are not close to samples presented in their training data. To address this compelling concern, this paper makes use of the notion of critical questions from the literature on argumentation theory, focusing in particular on Toulmin's model of argumentation. We show that employing these critical questions can improve the reasoning capabilities of LLMs. By probing the rationale behind the models' reasoning process, the LLM can assess whether some logical mistake is occurring and correct it before providing the final reply to the user prompt. The underlying idea is drawn from the gold standard of any valid argumentative procedure: the conclusion is valid if it is entailed by accepted premises. Or, to paraphrase such Aristotelian principle in a real-world approximation, characterised by incomplete information and presumptive logic, the conclusion is valid if not proved otherwise. This approach successfully steers the models' output through a reasoning pipeline, resulting in better performance against the baseline and its Chain-of-Thought (CoT) implementation. To this end, an extensive evaluation of the proposed approach on the MT-Bench Reasoning and Math tasks across a range of LLMs is provided.

  • 3 authors
·
Dec 19, 2024

Spacer: Towards Engineered Scientific Inspiration

Recent advances in LLMs have made automated scientific research the next frontline in the path to artificial superintelligence. However, these systems are bound either to tasks of narrow scope or the limited creative capabilities of LLMs. We propose Spacer, a scientific discovery system that develops creative and factually grounded concepts without external intervention. Spacer attempts to achieve this via 'deliberate decontextualization,' an approach that disassembles information into atomic units - keywords - and draws creativity from unexplored connections between them. Spacer consists of (i) Nuri, an inspiration engine that builds keyword sets, and (ii) the Manifesting Pipeline that refines these sets into elaborate scientific statements. Nuri extracts novel, high-potential keyword sets from a keyword graph built with 180,000 academic publications in biological fields. The Manifesting Pipeline finds links between keywords, analyzes their logical structure, validates their plausibility, and ultimately drafts original scientific concepts. According to our experiments, the evaluation metric of Nuri accurately classifies high-impact publications with an AUROC score of 0.737. Our Manifesting Pipeline also successfully reconstructs core concepts from the latest top-journal articles solely from their keyword sets. An LLM-based scoring system estimates that this reconstruction was sound for over 85% of the cases. Finally, our embedding space analysis shows that outputs from Spacer are significantly more similar to leading publications compared with those from SOTA LLMs.

  • 16 authors
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Aug 25 2

Youtu-GraphRAG: Vertically Unified Agents for Graph Retrieval-Augmented Complex Reasoning

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.

  • 9 authors
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Aug 27 1

A Survey on Large Language Model based Autonomous Agents

Autonomous agents have long been a prominent research focus in both academic and industry communities. Previous research in this field often focuses on training agents with limited knowledge within isolated environments, which diverges significantly from human learning processes, and thus makes the agents hard to achieve human-like decisions. Recently, through the acquisition of vast amounts of web knowledge, large language models (LLMs) have demonstrated remarkable potential in achieving human-level intelligence. This has sparked an upsurge in studies investigating LLM-based autonomous agents. In this paper, we present a comprehensive survey of these studies, delivering a systematic review of the field of LLM-based autonomous agents from a holistic perspective. More specifically, we first discuss the construction of LLM-based autonomous agents, for which we propose a unified framework that encompasses a majority of the previous work. Then, we present a comprehensive overview of the diverse applications of LLM-based autonomous agents in the fields of social science, natural science, and engineering. Finally, we delve into the evaluation strategies commonly used for LLM-based autonomous agents. Based on the previous studies, we also present several challenges and future directions in this field. To keep track of this field and continuously update our survey, we maintain a repository of relevant references at https://github.com/Paitesanshi/LLM-Agent-Survey.

  • 13 authors
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Aug 22, 2023 2

Augmenting LLMs with Knowledge: A survey on hallucination prevention

Large pre-trained language models have demonstrated their proficiency in storing factual knowledge within their parameters and achieving remarkable results when fine-tuned for downstream natural language processing tasks. Nonetheless, their capacity to access and manipulate knowledge with precision remains constrained, resulting in performance disparities on knowledge-intensive tasks when compared to task-specific architectures. Additionally, the challenges of providing provenance for model decisions and maintaining up-to-date world knowledge persist as open research frontiers. To address these limitations, the integration of pre-trained models with differentiable access mechanisms to explicit non-parametric memory emerges as a promising solution. This survey delves into the realm of language models (LMs) augmented with the ability to tap into external knowledge sources, including external knowledge bases and search engines. While adhering to the standard objective of predicting missing tokens, these augmented LMs leverage diverse, possibly non-parametric external modules to augment their contextual processing capabilities, departing from the conventional language modeling paradigm. Through an exploration of current advancements in augmenting large language models with knowledge, this work concludes that this emerging research direction holds the potential to address prevalent issues in traditional LMs, such as hallucinations, un-grounded responses, and scalability challenges.

  • 2 authors
·
Sep 28, 2023

From RAG to Memory: Non-Parametric Continual Learning for Large Language Models

Our ability to continuously acquire, organize, and leverage knowledge is a key feature of human intelligence that AI systems must approximate to unlock their full potential. Given the challenges in continual learning with large language models (LLMs), retrieval-augmented generation (RAG) has become the dominant way to introduce new information. However, its reliance on vector retrieval hinders its ability to mimic the dynamic and interconnected nature of human long-term memory. Recent RAG approaches augment vector embeddings with various structures like knowledge graphs to address some of these gaps, namely sense-making and associativity. However, their performance on more basic factual memory tasks drops considerably below standard RAG. We address this unintended deterioration and propose HippoRAG 2, a framework that outperforms standard RAG comprehensively on factual, sense-making, and associative memory tasks. HippoRAG 2 builds upon the Personalized PageRank algorithm used in HippoRAG and enhances it with deeper passage integration and more effective online use of an LLM. This combination pushes this RAG system closer to the effectiveness of human long-term memory, achieving a 7% improvement in associative memory tasks over the state-of-the-art embedding model while also exhibiting superior factual knowledge and sense-making memory capabilities. This work paves the way for non-parametric continual learning for LLMs. Our code and data will be released at https://github.com/OSU-NLP-Group/HippoRAG.

  • 5 authors
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Feb 20 2

The Evolving Role of Large Language Models in Scientific Innovation: Evaluator, Collaborator, and Scientist

Scientific innovation is undergoing a paradigm shift driven by the rapid advancement of Large Language Models (LLMs). As science faces mounting challenges including information overload, disciplinary silos, and diminishing returns on conventional research methods, LLMs are emerging as powerful agents capable not only of enhancing scientific workflows but also of participating in and potentially leading the innovation process. Existing surveys mainly focus on different perspectives, phrases, and tasks in scientific research and discovery, while they have limitations in understanding the transformative potential and role differentiation of LLM. This survey proposes a comprehensive framework to categorize the evolving roles of LLMs in scientific innovation across three hierarchical levels: Evaluator, Collaborator, and Scientist. We distinguish between LLMs' contributions to structured scientific research processes and open-ended scientific discovery, thereby offering a unified taxonomy that clarifies capability boundaries, evaluation criteria, and human-AI interaction patterns at each level. Through an extensive analysis of current methodologies, benchmarks, systems, and evaluation metrics, this survey delivers an in-depth and systematic synthesis on LLM-driven scientific innovation. We present LLMs not only as tools for automating existing processes, but also as catalysts capable of reshaping the epistemological foundations of science itself. This survey offers conceptual clarity, practical guidance, and theoretical foundations for future research, while also highlighting open challenges and ethical considerations in the pursuit of increasingly autonomous AI-driven science. Resources related to this survey can be accessed on GitHub at: https://github.com/haoxuan-unt2024/llm4innovation.

  • 7 authors
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Jul 15

SciAgents: Automating scientific discovery through multi-agent intelligent graph reasoning

A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast scientific data. In this work, we present SciAgents, an approach that leverages three core concepts: (1) the use of large-scale ontological knowledge graphs to organize and interconnect diverse scientific concepts, (2) a suite of large language models (LLMs) and data retrieval tools, and (3) multi-agent systems with in-situ learning capabilities. Applied to biologically inspired materials, SciAgents reveals hidden interdisciplinary relationships that were previously considered unrelated, achieving a scale, precision, and exploratory power that surpasses traditional human-driven research methods. The framework autonomously generates and refines research hypotheses, elucidating underlying mechanisms, design principles, and unexpected material properties. By integrating these capabilities in a modular fashion, the intelligent system yields material discoveries, critique and improve existing hypotheses, retrieve up-to-date data about existing research, and highlights their strengths and limitations. Our case studies demonstrate scalable capabilities to combine generative AI, ontological representations, and multi-agent modeling, harnessing a `swarm of intelligence' similar to biological systems. This provides new avenues for materials discovery and accelerates the development of advanced materials by unlocking Nature's design principles.

  • 2 authors
·
Sep 9, 2024

Embodied-RAG: General non-parametric Embodied Memory for Retrieval and Generation

There is no limit to how much a robot might explore and learn, but all of that knowledge needs to be searchable and actionable. Within language research, retrieval augmented generation (RAG) has become the workhouse of large-scale non-parametric knowledge, however existing techniques do not directly transfer to the embodied domain, which is multimodal, data is highly correlated, and perception requires abstraction. To address these challenges, we introduce Embodied-RAG, a framework that enhances the foundational model of an embodied agent with a non-parametric memory system capable of autonomously constructing hierarchical knowledge for both navigation and language generation. Embodied-RAG handles a full range of spatial and semantic resolutions across diverse environments and query types, whether for a specific object or a holistic description of ambiance. At its core, Embodied-RAG's memory is structured as a semantic forest, storing language descriptions at varying levels of detail. This hierarchical organization allows the system to efficiently generate context-sensitive outputs across different robotic platforms. We demonstrate that Embodied-RAG effectively bridges RAG to the robotics domain, successfully handling over 200 explanation and navigation queries across 19 environments, highlighting its promise for general-purpose non-parametric system for embodied agents.

  • 7 authors
·
Sep 26, 2024 2