Daily Papers

Automated Machine Learning (AutoML) systems have been shown to efficiently build good models for new datasets. However, it is often not clear how well they can adapt when the data evolves over time. The main goal of this study is to understand the effect of data stream challenges such as concept drift on the performance of AutoML methods, and which adaptation strategies can be employed to make them more robust. To that end, we propose 6 concept drift adaptation strategies and evaluate their effectiveness on different AutoML approaches. We do this for a variety of AutoML approaches for building machine learning pipelines, including those that leverage Bayesian optimization, genetic programming, and random search with automated stacking. These are evaluated empirically on real-world and synthetic data streams with different types of concept drift. Based on this analysis, we propose ways to develop more sophisticated and robust AutoML techniques.

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.

Machine learning on graphs has been extensively studied in both academic and industry. However, as the literature on graph learning booms with a vast number of emerging methods and techniques, it becomes increasingly difficult to manually design the optimal machine learning algorithm for different graph-related tasks. To solve this critical challenge, automated machine learning (AutoML) on graphs which combines the strength of graph machine learning and AutoML together, is gaining attention from the research community. Therefore, we comprehensively survey AutoML on graphs in this paper, primarily focusing on hyper-parameter optimization (HPO) and neural architecture search (NAS) for graph machine learning. We further overview libraries related to automated graph machine learning and in-depth discuss AutoGL, the first dedicated open-source library for AutoML on graphs. In the end, we share our insights on future research directions for automated graph machine learning. This paper is the first systematic and comprehensive review of automated machine learning on graphs to the best of our knowledge.

Neural networks are sensitive to hyper-parameter and architecture choices. Automated Machine Learning (AutoML) is a promising paradigm for automating these choices. Current ML software libraries, however, are quite limited in handling the dynamic interactions among the components of AutoML. For example, efficientNAS algorithms, such as ENAS and DARTS, typically require an implementation coupling between the search space and search algorithm, the two key components in AutoML. Furthermore, implementing a complex search flow, such as searching architectures within a loop of searching hardware configurations, is difficult. To summarize, changing the search space, search algorithm, or search flow in current ML libraries usually requires a significant change in the program logic. In this paper, we introduce a new way of programming AutoML based on symbolic programming. Under this paradigm, ML programs are mutable, thus can be manipulated easily by another program. As a result, AutoML can be reformulated as an automated process of symbolic manipulation. With this formulation, we decouple the triangle of the search algorithm, the search space and the child program. This decoupling makes it easy to change the search space and search algorithm (without and with weight sharing), as well as to add search capabilities to existing code and implement complex search flows. We then introduce PyGlove, a new Python library that implements this paradigm. Through case studies on ImageNet and NAS-Bench-101, we show that with PyGlove users can easily convert a static program into a search space, quickly iterate on the search spaces and search algorithms, and craft complex search flows to achieve better results.

Automated machine learning (AutoML) is the sub-field of machine learning that aims at automating, to some extend, all stages of the design of a machine learning system. In the context of supervised learning, AutoML is concerned with feature extraction, pre processing, model design and post processing. Major contributions and achievements in AutoML have been taking place during the recent decade. We are therefore in perfect timing to look back and realize what we have learned. This chapter aims to summarize the main findings in the early years of AutoML. More specifically, in this chapter an introduction to AutoML for supervised learning is provided and an historical review of progress in this field is presented. Likewise, the main paradigms of AutoML are described and research opportunities are outlined.

With the continuous and vast increase in the amount of data in our digital world, it has been acknowledged that the number of knowledgeable data scientists can not scale to address these challenges. Thus, there was a crucial need for automating the process of building good machine learning models. In the last few years, several techniques and frameworks have been introduced to tackle the challenge of automating the process of Combined Algorithm Selection and Hyper-parameter tuning (CASH) in the machine learning domain. The main aim of these techniques is to reduce the role of the human in the loop and fill the gap for non-expert machine learning users by playing the role of the domain expert. In this paper, we present a comprehensive survey for the state-of-the-art efforts in tackling the CASH problem. In addition, we highlight the research work of automating the other steps of the full complex machine learning pipeline (AutoML) from data understanding till model deployment. Furthermore, we provide comprehensive coverage for the various tools and frameworks that have been introduced in this domain. Finally, we discuss some of the research directions and open challenges that need to be addressed in order to achieve the vision and goals of the AutoML process.

In this study, we introduce a novel platform Resource-Aware AutoML (RA-AutoML) which enables flexible and generalized algorithms to build machine learning models subjected to multiple objectives, as well as resource and hard-ware constraints. RA-AutoML intelligently conducts Hyper-Parameter Search(HPS) as well as Neural Architecture Search (NAS) to build models optimizing predefined objectives. RA-AutoML is a versatile framework that allows user to prescribe many resource/hardware constraints along with objectives demanded by the problem at hand or business requirements. At its core, RA-AutoML relies on our in-house search-engine algorithm,MOBOGA, which combines a modified constraint-aware Bayesian Optimization and Genetic Algorithm to construct Pareto optimal candidates. Our experiments on CIFAR-10 dataset shows very good accuracy compared to results obtained by state-of-art neural network models, while subjected to resource constraints in the form of model size.

Machine learning techniques have deeply rooted in our everyday life. However, since it is knowledge- and labor-intensive to pursue good learning performance, human experts are heavily involved in every aspect of machine learning. In order to make machine learning techniques easier to apply and reduce the demand for experienced human experts, automated machine learning (AutoML) has emerged as a hot topic with both industrial and academic interest. In this paper, we provide an up to date survey on AutoML. First, we introduce and define the AutoML problem, with inspiration from both realms of automation and machine learning. Then, we propose a general AutoML framework that not only covers most existing approaches to date but also can guide the design for new methods. Subsequently, we categorize and review the existing works from two aspects, i.e., the problem setup and the employed techniques. Finally, we provide a detailed analysis of AutoML approaches and explain the reasons underneath their successful applications. We hope this survey can serve as not only an insightful guideline for AutoML beginners but also an inspiration for future research.

With the booming demand for machine learning applications, it has been recognized that the number of knowledgeable data scientists can not scale with the growing data volumes and application needs in our digital world. In response to this demand, several automated machine learning (AutoML) frameworks have been developed to fill the gap of human expertise by automating the process of building machine learning pipelines. Each framework comes with different heuristics-based design decisions. In this study, we present a comprehensive evaluation and comparison of the performance characteristics of six popular AutoML frameworks, namely, AutoWeka, AutoSKlearn, TPOT, Recipe, ATM, and SmartML, across 100 data sets from established AutoML benchmark suites. Our experimental evaluation considers different aspects for its comparison, including the performance impact of several design decisions, including time budget, size of search space, meta-learning, and ensemble construction. The results of our study reveal various interesting insights that can significantly guide and impact the design of AutoML frameworks.

Recent advancements in machine learning research, i.e., deep learning, introduced methods that excel conventional algorithms as well as humans in several complex tasks, ranging from detection of objects in images and speech recognition to playing difficult strategic games. However, the current methodology of machine learning research and consequently, implementations of the real-world applications of such algorithms, seems to have a recurring HARKing (Hypothesizing After the Results are Known) issue. In this work, we elaborate on the algorithmic, economic and social reasons and consequences of this phenomenon. We present examples from current common practices of conducting machine learning research (e.g. avoidance of reporting negative results) and failure of generalization ability of the proposed algorithms and datasets in actual real-life usage. Furthermore, a potential future trajectory of machine learning research and development from the perspective of accountable, unbiased, ethical and privacy-aware algorithmic decision making is discussed. We would like to emphasize that with this discussion we neither claim to provide an exhaustive argumentation nor blame any specific institution or individual on the raised issues. This is simply a discussion put forth by us, insiders of the machine learning field, reflecting on us.

We present the Temporal Graph Benchmark (TGB), a collection of challenging and diverse benchmark datasets for realistic, reproducible, and robust evaluation of machine learning models on temporal graphs. TGB datasets are of large scale, spanning years in duration, incorporate both node and edge-level prediction tasks and cover a diverse set of domains including social, trade, transaction, and transportation networks. For both tasks, we design evaluation protocols based on realistic use-cases. We extensively benchmark each dataset and find that the performance of common models can vary drastically across datasets. In addition, on dynamic node property prediction tasks, we show that simple methods often achieve superior performance compared to existing temporal graph models. We believe that these findings open up opportunities for future research on temporal graphs. Finally, TGB provides an automated machine learning pipeline for reproducible and accessible temporal graph research, including data loading, experiment setup and performance evaluation. TGB will be maintained and updated on a regular basis and welcomes community feedback. TGB datasets, data loaders, example codes, evaluation setup, and leaderboards are publicly available at https://tgb.complexdatalab.com/.

The volume of data from current and future observatories has motivated the increased development and application of automated machine learning methodologies for astronomy. However, less attention has been given to the production of standardised datasets for assessing the performance of different machine learning algorithms within astronomy and astrophysics. Here we describe in detail the MiraBest dataset, a publicly available batched dataset of 1256 radio-loud AGN from NVSS and FIRST, filtered to 0.03 < z < 0.1, manually labelled by Miraghaei and Best (2017) according to the Fanaroff-Riley morphological classification, created for machine learning applications and compatible for use with standard deep learning libraries. We outline the principles underlying the construction of the dataset, the sample selection and pre-processing methodology, dataset structure and composition, as well as a comparison of MiraBest to other datasets used in the literature. Existing applications that utilise the MiraBest dataset are reviewed, and an extended dataset of 2100 sources is created by cross-matching MiraBest with other catalogues of radio-loud AGN that have been used more widely in the literature for machine learning applications.

Automated Machine Learning (AutoML) supports practitioners and researchers with the tedious task of designing machine learning pipelines and has recently achieved substantial success. In this paper, we introduce new AutoML approaches motivated by our winning submission to the second ChaLearn AutoML challenge. We develop PoSH Auto-sklearn, which enables AutoML systems to work well on large datasets under rigid time limits by using a new, simple and meta-feature-free meta-learning technique and by employing a successful bandit strategy for budget allocation. However, PoSH Auto-sklearn introduces even more ways of running AutoML and might make it harder for users to set it up correctly. Therefore, we also go one step further and study the design space of AutoML itself, proposing a solution towards truly hands-free AutoML. Together, these changes give rise to the next generation of our AutoML system, Auto-sklearn 2.0. We verify the improvements by these additions in an extensive experimental study on 39 AutoML benchmark datasets. We conclude the paper by comparing to other popular AutoML frameworks and Auto-sklearn 1.0, reducing the relative error by up to a factor of 4.5, and yielding a performance in 10 minutes that is substantially better than what Auto-sklearn 1.0 achieves within an hour.

The multitude of makeup products available can make it challenging to find the ideal match for desired attributes. An intelligent approach for product discovery is required to enhance the makeup shopping experience to make it more convenient and satisfying. However, enabling accurate and efficient product discovery requires extracting detailed attributes like color and finish type. Our work introduces an automated pipeline that utilizes multiple customized machine learning models to extract essential material attributes from makeup product images. Our pipeline is versatile and capable of handling various makeup products. To showcase the efficacy of our pipeline, we conduct extensive experiments on eyeshadow products (both single and multi-shade ones), a challenging makeup product known for its diverse range of shapes, colors, and finish types. Furthermore, we demonstrate the applicability of our approach by successfully extending it to other makeup categories like lipstick and foundation, showcasing its adaptability and effectiveness across different beauty products. Additionally, we conduct ablation experiments to demonstrate the superiority of our machine learning pipeline over human labeling methods in terms of reliability. Our proposed method showcases its effectiveness in cross-category product discovery, specifically in recommending makeup products that perfectly match a specified outfit. Lastly, we also demonstrate the application of these material attributes in enabling virtual-try-on experiences which makes makeup shopping experience significantly more engaging.

As the field of automated machine learning (AutoML) advances, it becomes increasingly important to incorporate domain knowledge into these systems. We present an approach for doing so by harnessing the power of large language models (LLMs). Specifically, we introduce Context-Aware Automated Feature Engineering (CAAFE), a feature engineering method for tabular datasets that utilizes an LLM to iteratively generate additional semantically meaningful features for tabular datasets based on the description of the dataset. The method produces both Python code for creating new features and explanations for the utility of the generated features. Despite being methodologically simple, CAAFE improves performance on 11 out of 14 datasets -- boosting mean ROC AUC performance from 0.798 to 0.822 across all dataset - similar to the improvement achieved by using a random forest instead of logistic regression on our datasets. Furthermore, CAAFE is interpretable by providing a textual explanation for each generated feature. CAAFE paves the way for more extensive semi-automation in data science tasks and emphasizes the significance of context-aware solutions that can extend the scope of AutoML systems to semantic AutoML. We release our https://github.com/automl/CAAFE{code}, a simple https://colab.research.google.com/drive/1mCA8xOAJZ4MaB_alZvyARTMjhl6RZf0a{demo} and a https://pypi.org/project/caafe/{python package}.

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on interdisciplinary knowledge. However, existing medical agent systems often rely on static, manually crafted workflows that lack the flexibility to accommodate diverse diagnostic requirements and adapt to emerging clinical scenarios. Motivated by the success of automated machine learning (AutoML), this paper introduces a novel framework for the automated design of medical agent architectures. Specifically, we define a hierarchical and expressive agent search space that enables dynamic workflow adaptation through structured modifications at the node, structural, and framework levels. Our framework conceptualizes medical agents as graph-based architectures composed of diverse, functional node types and supports iterative self-improvement guided by diagnostic feedback. Experimental results on skin disease diagnosis tasks demonstrate that the proposed method effectively evolves workflow structures and significantly enhances diagnostic accuracy over time. This work represents the first fully automated framework for medical agent architecture design and offers a scalable, adaptable foundation for deploying intelligent agents in real-world clinical environments.

The Combined Algorithm Selection and Hyperparameters optimization (CASH) problem is one of the fundamental problems in Automated Machine Learning (AutoML). Motivated by the success of ensemble learning, recent AutoML systems build post-hoc ensembles to output the final predictions instead of using the best single learner. However, while most CASH methods focus on searching for a single learner with the best performance, they neglect the diversity among base learners (i.e., they may suggest similar configurations to previously evaluated ones), which is also a crucial consideration when building an ensemble. To tackle this issue and further enhance the ensemble performance, we propose DivBO, a diversity-aware framework to inject explicit search of diversity into the CASH problems. In the framework, we propose to use a diversity surrogate to predict the pair-wise diversity of two unseen configurations. Furthermore, we introduce a temporary pool and a weighted acquisition function to guide the search of both performance and diversity based on Bayesian optimization. Empirical results on 15 public datasets show that DivBO achieves the best average ranks (1.82 and 1.73) on both validation and test errors among 10 compared methods, including post-hoc designs in recent AutoML systems and state-of-the-art baselines for ensemble learning on CASH problems.

Automated machine learning (AutoML) systems commonly ensemble models post hoc to improve predictive performance, typically via greedy ensemble selection (GES). However, we believe that GES may not always be optimal, as it performs a simple deterministic greedy search. In this work, we introduce two novel population-based ensemble selection methods, QO-ES and QDO-ES, and compare them to GES. While QO-ES optimises solely for predictive performance, QDO-ES also considers the diversity of ensembles within the population, maintaining a diverse set of well-performing ensembles during optimisation based on ideas of quality diversity optimisation. The methods are evaluated using 71 classification datasets from the AutoML benchmark, demonstrating that QO-ES and QDO-ES often outrank GES, albeit only statistically significant on validation data. Our results further suggest that diversity can be beneficial for post hoc ensembling but also increases the risk of overfitting.

Automated machine learning (AutoML) seeks to build ML models with minimal human effort. While considerable research has been conducted in the area of AutoML in general, aiming to take humans out of the loop when building artificial intelligence (AI) applications, scant literature has focused on how AutoML works well in open-environment scenarios such as the process of training and updating large models, industrial supply chains or the industrial metaverse, where people often face open-loop problems during the search process: they must continuously collect data, update data and models, satisfy the requirements of the development and deployment environment, support massive devices, modify evaluation metrics, etc. Addressing the open-environment issue with pure data-driven approaches requires considerable data, computing resources, and effort from dedicated data engineers, making current AutoML systems and platforms inefficient and computationally intractable. Human-computer interaction is a practical and feasible way to tackle the problem of open-environment AI. In this paper, we introduce OmniForce, a human-centered AutoML (HAML) system that yields both human-assisted ML and ML-assisted human techniques, to put an AutoML system into practice and build adaptive AI in open-environment scenarios. Specifically, we present OmniForce in terms of ML version management; pipeline-driven development and deployment collaborations; a flexible search strategy framework; and widely provisioned and crowdsourced application algorithms, including large models. Furthermore, the (large) models constructed by OmniForce can be automatically turned into remote services in a few minutes; this process is dubbed model as a service (MaaS). Experimental results obtained in multiple search spaces and real-world use cases demonstrate the efficacy and efficiency of OmniForce.

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up complex tools, which is in general time-consuming and requires a large amount of human effort. Therefore, recent works have started exploiting large language models (LLM) to lessen such burden and increase the usability of AutoML frameworks via a natural language interface, allowing non-expert users to build their data-driven solutions. These methods, however, are usually designed only for a particular process in the AI development pipeline and do not efficiently use the inherent capacity of the LLMs. This paper proposes AutoML-Agent, a novel multi-agent framework tailored for full-pipeline AutoML, i.e., from data retrieval to model deployment. AutoML-Agent takes user's task descriptions, facilitates collaboration between specialized LLM agents, and delivers deployment-ready models. Unlike existing work, instead of devising a single plan, we introduce a retrieval-augmented planning strategy to enhance exploration to search for more optimal plans. We also decompose each plan into sub-tasks (e.g., data preprocessing and neural network design) each of which is solved by a specialized agent we build via prompting executing in parallel, making the search process more efficient. Moreover, we propose a multi-stage verification to verify executed results and guide the code generation LLM in implementing successful solutions. Extensive experiments on seven downstream tasks using fourteen datasets show that AutoML-Agent achieves a higher success rate in automating the full AutoML process, yielding systems with good performance throughout the diverse domains.

Automated machine learning (AutoML) is a collection of techniques designed to automate the machine learning development process. While traditional AutoML approaches have been successfully applied in several critical steps of model development (e.g. hyperparameter optimization), there lacks a AutoML system that automates the entire end-to-end model production workflow. To fill this blank, we present AutoMMLab, a general-purpose LLM-empowered AutoML system that follows user's language instructions to automate the whole model production workflow for computer vision tasks. The proposed AutoMMLab system effectively employs LLMs as the bridge to connect AutoML and OpenMMLab community, empowering non-expert individuals to easily build task-specific models via a user-friendly language interface. Specifically, we propose RU-LLaMA to understand users' request and schedule the whole pipeline, and propose a novel LLM-based hyperparameter optimizer called HPO-LLaMA to effectively search for the optimal hyperparameters. Experiments show that our AutoMMLab system is versatile and covers a wide range of mainstream tasks, including classification, detection, segmentation and keypoint estimation. We further develop a new benchmark, called LAMP, for studying key components in the end-to-end prompt-based model training pipeline. Code, model, and data will be released.

Deep learning (DL) techniques have penetrated all aspects of our lives and brought us great convenience. However, building a high-quality DL system for a specific task highly relies on human expertise, hindering the applications of DL to more areas. Automated machine learning (AutoML) becomes a promising solution to build a DL system without human assistance, and a growing number of researchers focus on AutoML. In this paper, we provide a comprehensive and up-to-date review of the state-of-the-art (SOTA) in AutoML. First, we introduce AutoML methods according to the pipeline, covering data preparation, feature engineering, hyperparameter optimization, and neural architecture search (NAS). We focus more on NAS, as it is currently very hot sub-topic of AutoML. We summarize the performance of the representative NAS algorithms on the CIFAR-10 and ImageNet datasets and further discuss several worthy studying directions of NAS methods: one/two-stage NAS, one-shot NAS, and joint hyperparameter and architecture optimization. Finally, we discuss some open problems of the existing AutoML methods for future research.

The study of jet-inflated X-ray cavities provides a powerful insight into the energetics of hot galactic atmospheres and radio-mechanical AGN feedback. By estimating the volumes of X-ray cavities, the total energy and thus also the corresponding mechanical jet power required for their inflation can be derived. Properly estimating their total extent is, however, non-trivial, prone to biases, nearly impossible for poor-quality data, and so far has been done manually by scientists. We present a novel and automated machine-learning pipeline called Cavity Detection Tool (CADET), developed to detect and estimate the sizes of X-ray cavities from raw Chandra images. The pipeline consists of a convolutional neural network trained for producing pixel-wise cavity predictions and a DBSCAN clustering algorithm, which decomposes the predictions into individual cavities. The convolutional network was trained using mock observations of early-type galaxies simulated to resemble real noisy Chandra-like images. The network's performance has been tested on simulated data obtaining an average cavity volume error of 14 % at an 89 % true-positive rate. For simulated images without any X-ray cavities inserted, we obtain a 5 % false-positive rate. When applied to real Chandra images, the pipeline recovered 91 out of 100 previously known X-ray cavities in nearby early-type galaxies and all 14 cavities in chosen galaxy clusters. Besides that, the CADET pipeline discovered 8 new cavity pairs in atmospheres of early-type galaxies and galaxy clusters (IC4765, NGC533, NGC2300, NGC3091, NGC4073, NGC4125, NGC4472, NGC5129) and a number of potential cavity candidates.

AutoIntent is an automated machine learning tool for text classification tasks. Unlike existing solutions, AutoIntent offers end-to-end automation with embedding model selection, classifier optimization, and decision threshold tuning, all within a modular, sklearn-like interface. The framework is designed to support multi-label classification and out-of-scope detection. AutoIntent demonstrates superior performance compared to existing AutoML tools on standard intent classification datasets and enables users to balance effectiveness and resource consumption.

The fields of both Natural Language Processing (NLP) and Automated Machine Learning (AutoML) have achieved remarkable results over the past years. In NLP, especially Large Language Models (LLMs) have experienced a rapid series of breakthroughs very recently. We envision that the two fields can radically push the boundaries of each other through tight integration. To showcase this vision, we explore the potential of a symbiotic relationship between AutoML and LLMs, shedding light on how they can benefit each other. In particular, we investigate both the opportunities to enhance AutoML approaches with LLMs from different perspectives and the challenges of leveraging AutoML to further improve LLMs. To this end, we survey existing work, and we critically assess risks. We strongly believe that the integration of the two fields has the potential to disrupt both fields, NLP and AutoML. By highlighting conceivable synergies, but also risks, we aim to foster further exploration at the intersection of AutoML and LLMs.

Automating machine learning has achieved remarkable technological developments in recent years, and building an automated machine learning pipeline is now an essential task. The model ensemble is the technique of combining multiple models to get a better and more robust model. However, existing automated machine learning tends to be simplistic in handling the model ensemble, where the ensemble strategy is fixed, such as stacked generalization. There have been many techniques on different ensemble methods, especially ensemble selection, and the fixed ensemble strategy limits the upper limit of the model's performance. In this article, we present a novel framework for automated machine learning. Our framework incorporates advances in dynamic ensemble selection, and to our best knowledge, our approach is the first in the field of AutoML to search and optimize ensemble strategies. In the comparison experiments, our method outperforms the state-of-the-art automated machine learning frameworks with the same CPU time in 42 classification datasets from the OpenML platform. Ablation experiments on our framework validate the effectiveness of our proposed method.

The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention making the process time-consuming while preventing full automation. Instead, envision an intelligent agent capable of assisting users in conducting AutoML tasks through intuitive, natural conversations without requiring in-depth knowledge of the underlying machine learning (ML) processes. This agent's key challenge is to accurately comprehend the user's prediction goals and, consequently, formulate precise ML tasks, adjust data sets and model parameters accordingly, and articulate results effectively. In this paper, we take a pioneering step towards this ambitious goal by introducing a ChatGPT-based conversational data-science framework to act as a "personal data scientist". Precisely, we utilize Large Language Models (ChatGPT) to build a natural interface between the users and the ML models (Scikit-Learn), which in turn, allows us to approach this ambitious problem with a realistic solution. Our model pivots around four dialogue states: Data Visualization, Task Formulation, Prediction Engineering, and Result Summary and Recommendation. Each state marks a unique conversation phase, impacting the overall user-system interaction. Multiple LLM instances, serving as "micro-agents", ensure a cohesive conversation flow, granting us granular control over the conversation's progression. In summary, we developed an end-to-end system that not only proves the viability of the novel concept of conversational data science but also underscores the potency of LLMs in solving complex tasks. Interestingly, its development spotlighted several critical weaknesses in the current LLMs (ChatGPT) and highlighted substantial opportunities for improvement.

Large language models have high compute, latency, and memory requirements. While specialized accelerators such as GPUs and TPUs typically run these workloads, CPUs are more widely available and consume less energy. Accelerating LLMs with CPUs enables broader AI access at a lower cost and power consumption. This acceleration potential for CPUs is especially relevant during the memory-bound decoding stage of LLM inference, which processes one token at a time and is becoming increasingly utilized with reasoning models. We utilize Advanced Matrix Extensions (AMX) support on the latest Intel CPUs together with unstructured sparsity to achieve a 1.42 times reduction in end-to-end latency compared to the current PyTorch implementation by applying our technique in linear layers. We provide a set of open-source customized sparse kernels that can speed up any PyTorch model by automatically replacing all linear layers with our custom sparse implementation. Furthermore, we demonstrate for the first time the use of unstructured sparsity in the attention computation achieving a 1.14 times speedup over the current systems without compromising accuracy. Code: https://github.com/IntelLabs/Hardware-Aware-Automated-Machine-Learning/tree/main/SparAMX

Recommender systems play a significant role in information filtering and have been utilized in different scenarios, such as e-commerce and social media. With the prosperity of deep learning, deep recommender systems show superior performance by capturing non-linear information and item-user relationships. However, the design of deep recommender systems heavily relies on human experiences and expert knowledge. To tackle this problem, Automated Machine Learning (AutoML) is introduced to automatically search for the proper candidates for different parts of deep recommender systems. This survey performs a comprehensive review of the literature in this field. Firstly, we propose an abstract concept for AutoML for deep recommender systems (AutoRecSys) that describes its building blocks and distinguishes it from conventional AutoML techniques and recommender systems. Secondly, we present a taxonomy as a classification framework containing feature selection search, embedding dimension search, feature interaction search, model architecture search, and other components search. Furthermore, we put a particular emphasis on the search space and search strategy, as they are the common thread to connect all methods within each category and enable practitioners to analyze and compare various approaches. Finally, we propose four future promising research directions that will lead this line of research.

The rapid expansion of Large Language Models (LLMs) has posed significant challenges regarding the computational resources required for fine-tuning and deployment. Recent advancements in low-rank adapters have demonstrated their efficacy in parameter-efficient fine-tuning (PEFT) of these models. This retrospective paper comprehensively discusses innovative approaches that synergize low-rank representations with Neural Architecture Search (NAS) techniques, particularly weight-sharing super-networks. Robust solutions for compressing and fine-tuning large pre-trained models are developed by integrating these methodologies. Our analysis highlights the potential of these combined strategies to democratize the use of LLMs, making them more accessible for deployment in resource-constrained environments. The resulting models exhibit reduced memory footprints and faster inference times, paving the way for more practical and scalable applications of LLMs. Models and code are available at https://github.com/IntelLabs/Hardware-Aware-Automated-Machine-Learning.

Large pre-trained models have achieved outstanding results in sequence modeling. The Transformer block and its attention mechanism have been the main drivers of the success of these models. Recently, alternative architectures, such as Selective Structured State Space Models (SSMs), have been proposed to address the inefficiencies of Transformers. This paper explores the compression of SSM-based models, particularly Mamba and its hybrids. We study the sensitivity of these models to the removal of selected components at different granularities to reduce the model size and computational overhead, thus improving their efficiency while maintaining accuracy. The proposed solutions, collectively referred to as Mamba-Shedder, achieve a speedup of up to 1.4x during inference, demonstrating that model efficiency can be improved by eliminating several redundancies with minimal impact on the overall model performance. The code is available at https://github.com/IntelLabs/Hardware-Aware-Automated-Machine-Learning.

Large pre-trained models (LPMs), such as large language models, have become ubiquitous and are employed in many applications. These models are often adapted to a desired domain or downstream task through a fine-tuning stage. This paper proposes SQFT, an end-to-end solution for low-precision sparse parameter-efficient fine-tuning of LPMs, allowing for effective model manipulation in resource-constrained environments. Additionally, an innovative strategy enables the merging of sparse weights with low-rank adapters without losing sparsity and accuracy, overcoming the limitations of previous approaches. SQFT also addresses the challenge of having quantized weights and adapters with different numerical precisions, enabling merging in the desired numerical format without sacrificing accuracy. Multiple adaptation scenarios, models, and comprehensive sparsity levels demonstrate the effectiveness of SQFT. Models and code are available at https://github.com/IntelLabs/Hardware-Aware-Automated-Machine-Learning.

In this work, we propose an Automated Machine Learning (AutoML) system to search for models not only with good prediction accuracy but also fair. We first investigate the necessity and impact of unfairness mitigation in the AutoML context. We establish the FairAutoML framework. The framework provides a novel design based on pragmatic abstractions, which makes it convenient to incorporate existing fairness definitions, unfairness mitigation techniques, and hyperparameter search methods into the model search and evaluation process. Following this framework, we develop a fair AutoML system based on an existing AutoML system. The augmented system includes a resource allocation strategy to dynamically decide when and on which models to conduct unfairness mitigation according to the prediction accuracy, fairness, and resource consumption on the fly. Extensive empirical evaluation shows that our system can achieve a good `fair accuracy' and high resource efficiency.

Recently, state-of-the-art approaches for pruning large pre-trained models (LPMs) have demonstrated that the training-free removal of non-critical residual blocks in Transformers is viable for reducing model size, achieving results that outperform previous training-free pruning approaches. Motivated by these findings, we extend BlockPruner (Zhong et al., 2024) and propose MultiPruner, a pruning approach that surpasses recent training-free pruning methods by adopting a multidimensional, iterative, fine-grained pruning strategy. In MultiPruner, multidimensional pruning reinstates the structural balance in block-pruned models by sequentially compressing along three dimensions: i) residual blocks, ii) channels of multilayer perceptrons (MLP), and iii) attention heads. This solution enhances zero-shot accuracy on downstream tasks compared to other techniques while improving model compression ratios, producing compressed models with fewer computing and memory requirements. Extensive experiments demonstrate the advantages of the proposed method across various large pre-trained models. The code and pruning configurations are available at https://github.com/IntelLabs/Hardware-Aware-Automated-Machine-Learning.

Neural networks are fundamental in artificial intelligence, driving progress in computer vision and natural language processing. High-quality datasets are crucial for their development, and there is growing interest in datasets composed of neural networks themselves to support benchmarking, automated machine learning (AutoML), and model analysis. We introduce LEMUR, an open source dataset of neural network models with well-structured code for diverse architectures across tasks such as object detection, image classification, segmentation, and natural language processing. LEMUR is primarily designed to provide a rich source of structured model representations and associated performance data, enabling the fine-tuning of large language models for AutoML applications. Leveraging Python and PyTorch, LEMUR enables seamless extension to new datasets and models while maintaining consistency. It integrates an Optuna-powered framework for evaluation, hyperparameter optimization, statistical analysis, and graphical insights. LEMUR VR extension enables the seamless deployment of models in virtual reality, optimizing their performance on resource-constrained devices. Providing tools for model evaluation, preprocessing, and database management, LEMUR supports researchers and practitioners in developing, testing, and analyzing neural networks. It offers an API that delivers comprehensive information about neural network models and their complete performance statistics with a single request, which can be used in experiments with code-generating large language models. The LEMUR and its plugins are accessible as open source projects under the MIT license at https://github.com/ABrain-One/nn-dataset, https://github.com/ABrain-One/nn-plots and https://github.com/ABrain-One/nn-vr.

Online misinformation poses a global risk with significant real-world consequences. To combat misinformation, current research relies on professionals like journalists and fact-checkers for annotating and debunking misinformation, and develops automated machine learning methods for detecting misinformation. Complementary to these approaches, recent research has increasingly concentrated on utilizing the power of ordinary social media users, a.k.a. "crowd", who act as eyes-on-the-ground proactively questioning and countering misinformation. Notably, recent studies show that 96% of counter-misinformation responses originate from them. Acknowledging their prominent role, we present the first systematic and comprehensive survey of research papers that actively leverage the crowds to combat misinformation. We first identify 88 papers related to crowd-based efforts, following a meticulous annotation process adhering to the PRISMA framework. We then present key statistics related to misinformation, counter-misinformation, and crowd input in different formats and topics. Upon holistic analysis of the papers, we introduce a novel taxonomy of the roles played by the crowds: (i)annotators who actively identify misinformation; (ii)evaluators who assess counter-misinformation effectiveness; (iii)creators who create counter-misinformation. This taxonomy explores the crowd's capabilities in misinformation detection, identifies prerequisites for effective counter-misinformation, and analyzes crowd-generated counter-misinformation. Then, we delve into (i)distinguishing individual, collaborative, and machine-assisted labeling for annotators; (ii)analyzing the effectiveness of counter-misinformation through surveys, interviews, and in-lab experiments for evaluators; and (iii)characterizing creation patterns and creator profiles for creators. Finally, we outline potential future research in this field.

Sparsity in the structure of Neural Networks can lead to less energy consumption, less memory usage, faster computation times on convenient hardware, and automated machine learning. If sparsity gives rise to certain kinds of structure, it can explain automatically obtained features during learning. We provide insights into experiments in which we show how sparsity can be achieved through prior initialization, pruning, and during learning, and answer questions on the relationship between the structure of Neural Networks and their performance. This includes the first work of inducing priors from network theory into Recurrent Neural Networks and an architectural performance prediction during a Neural Architecture Search. Within our experiments, we show how magnitude class blinded pruning achieves 97.5% on MNIST with 80% compression and re-training, which is 0.5 points more than without compression, that magnitude class uniform pruning is significantly inferior to it and how a genetic search enhanced with performance prediction achieves 82.4% on CIFAR10. Further, performance prediction for Recurrent Networks learning the Reber grammar shows an R^2 of up to 0.81 given only structural information.

As industrial applications are increasingly automated by machine learning models, enforcing personal data ownership and intellectual property rights requires tracing training data back to their rightful owners. Membership inference algorithms approach this problem by using statistical techniques to discern whether a target sample was included in a model's training set. However, existing methods only utilize the unaltered target sample or simple augmentations of the target to compute statistics. Such a sparse sampling of the model's behavior carries little information, leading to poor inference capabilities. In this work, we use adversarial tools to directly optimize for queries that are discriminative and diverse. Our improvements achieve significantly more accurate membership inference than existing methods, especially in offline scenarios and in the low false-positive regime which is critical in legal settings. Code is available at https://github.com/YuxinWenRick/canary-in-a-coalmine.

With most technical fields, there exists a delay between fundamental academic research and practical industrial uptake. Whilst some sciences have robust and well-established processes for commercialisation, such as the pharmaceutical practice of regimented drug trials, other fields face transitory periods in which fundamental academic advancements diffuse gradually into the space of commerce and industry. For the still relatively young field of Automated/Autonomous Machine Learning (AutoML/AutonoML), that transitory period is under way, spurred on by a burgeoning interest from broader society. Yet, to date, little research has been undertaken to assess the current state of this dissemination and its uptake. Thus, this review makes two primary contributions to knowledge around this topic. Firstly, it provides the most up-to-date and comprehensive survey of existing AutoML tools, both open-source and commercial. Secondly, it motivates and outlines a framework for assessing whether an AutoML solution designed for real-world application is 'performant'; this framework extends beyond the limitations of typical academic criteria, considering a variety of stakeholder needs and the human-computer interactions required to service them. Thus, additionally supported by an extensive assessment and comparison of academic and commercial case-studies, this review evaluates mainstream engagement with AutoML in the early 2020s, identifying obstacles and opportunities for accelerating future uptake.

In this work, we address the problem of automating quantum variational machine learning. We develop a multi-locality parallelizable search algorithm, called MUSE, to find the initial points and the sets of parameters that achieve the best performance for quantum variational circuit learning. Simulations with five real-world classification datasets indicate that on average, MUSE improves the detection accuracy of quantum variational classifiers 2.3 times with respect to the observed lowest scores. Moreover, when applied to two real-world regression datasets, MUSE improves the quality of the predictions from negative coefficients of determination to positive ones. Furthermore, the classification and regression scores of the quantum variational models trained with MUSE are on par with the classical counterparts.

Machine learning classification problems are widespread in bioinformatics, but the technical knowledge required to perform model training, optimization, and inference can prevent researchers from utilizing this technology. This article presents an automated tool for machine learning classification problems to simplify the process of training models and producing results while providing informative visualizations and insights into the data. This tool supports both binary and multiclass classification problems, and it provides access to a variety of models and methods. Synthetic data can be generated within the interface to fill missing values, balance class labels, or generate entirely new datasets. It also provides support for feature evaluation and generates explainability scores to indicate which features influence the output the most. We present CLASSify, an open-source tool for simplifying the user experience of solving classification problems without the need for knowledge of machine learning.

The learning rate (LR) schedule is one of the most important hyper-parameters needing careful tuning in training DNNs. However, it is also one of the least automated parts of machine learning systems and usually costs significant manual effort and computing. Though there are pre-defined LR schedules and optimizers with adaptive LR, they introduce new hyperparameters that need to be tuned separately for different tasks/datasets. In this paper, we consider the question: Can we automatically tune the LR over the course of training without human involvement? We propose an efficient method, AutoLRS, which automatically optimizes the LR for each training stage by modeling training dynamics. AutoLRS aims to find an LR applied to every tau steps that minimizes the resulted validation loss. We solve this black-box optimization on the fly by Bayesian optimization (BO). However, collecting training instances for BO requires a system to evaluate each LR queried by BO's acquisition function for tau steps, which is prohibitively expensive in practice. Instead, we apply each candidate LR for only tau'lltau steps and train an exponential model to predict the validation loss after tau steps. This mutual-training process between BO and the loss-prediction model allows us to limit the training steps invested in the BO search. We demonstrate the advantages and the generality of AutoLRS through extensive experiments of training DNNs for tasks from diverse domains using different optimizers. The LR schedules auto-generated by AutoLRS lead to a speedup of 1.22times, 1.43times, and 1.5times when training ResNet-50, Transformer, and BERT, respectively, compared to the LR schedules in their original papers, and an average speedup of 1.31times over state-of-the-art heavily-tuned LR schedules.

Medical coding is the task of assigning medical codes to clinical free-text documentation. Healthcare professionals manually assign such codes to track patient diagnoses and treatments. Automated medical coding can considerably alleviate this administrative burden. In this paper, we reproduce, compare, and analyze state-of-the-art automated medical coding machine learning models. We show that several models underperform due to weak configurations, poorly sampled train-test splits, and insufficient evaluation. In previous work, the macro F1 score has been calculated sub-optimally, and our correction doubles it. We contribute a revised model comparison using stratified sampling and identical experimental setups, including hyperparameters and decision boundary tuning. We analyze prediction errors to validate and falsify assumptions of previous works. The analysis confirms that all models struggle with rare codes, while long documents only have a negligible impact. Finally, we present the first comprehensive results on the newly released MIMIC-IV dataset using the reproduced models. We release our code, model parameters, and new MIMIC-III and MIMIC-IV training and evaluation pipelines to accommodate fair future comparisons.

In recent years, the deterioration of artificial materials used in structures has become a serious social issue, increasing the importance of inspections. Non-destructive testing is gaining increased demand due to its capability to inspect for defects and deterioration in structures while preserving their functionality. Among these, Laser Ultrasonic Visualization Testing (LUVT) stands out because it allows the visualization of ultrasonic propagation. This makes it visually straightforward to detect defects, thereby enhancing inspection efficiency. With the increasing number of the deterioration structures, challenges such as a shortage of inspectors and increased workload in non-destructive testing have become more apparent. Efforts to address these challenges include exploring automated inspection using machine learning. However, the lack of anomalous data with defects poses a barrier to improving the accuracy of automated inspection through machine learning. Therefore, in this study, we propose a method for automated LUVT inspection using an anomaly detection approach with a diffusion model that can be trained solely on negative examples (defect-free data). We experimentally confirmed that our proposed method improves defect detection and localization compared to general object detection algorithms used previously.

The CASH problem has been widely studied in the context of automated configurations of machine learning (ML) pipelines and various solvers and toolkits are available. However, CASH solvers do not directly handle black-box constraints such as fairness, robustness or other domain-specific custom constraints. We present our recent approach [Liu, et al., 2020] that leverages the ADMM optimization framework to decompose CASH into multiple small problems and demonstrate how ADMM facilitates incorporation of black-box constraints.

Chronotype compares individuals' circadian phase to others. It contextualizes mental health risk assessments and detection of social jet lag, which can hamper mental health and cognitive performance. Existing ways of determining chronotypes, such as Dim Light Melatonin Onset (DLMO) or the Morningness-Eveningness Questionnaire (MEQ), are limited by being discrete in time and time-intensive to update, meaning they rarely capture real-world variability across time. Chronotyping users based on a daily planner app might augment existing methods to enable assessment continuously and at scale. This paper reports the construction of a supervised binary classifier that attempts to demonstrate the feasibility of this approach. 1,460 registered users from the Owaves app opted in by filling out the MEQ survey between July 14, 2022, and May 1, 2023. 142 met the eligibility criteria. We used multimodal app data from individuals identified as morning and evening types from MEQ data, basing the classifier on app time series data. This included daily timing for 8 main lifestyle activity types: exercise, sleep, social interactions, meal times, relaxation, work, play, and miscellaneous, as defined in the app. The timing of activities showed substantial change across time, as well as heterogeneity by activity type. Our novel chronotyping classifier was able to predict the morningness and eveningness of its users with an ROC AUC of 0.70. Our findings demonstrate the feasibility of chronotype classification from multimodal, real-world app data, while highlighting fundamental challenges to applying discrete and fixed labels to complex, dynamic, multimodal behaviors. Our findings suggest a potential for real-time monitoring of shifts in chronotype specific to different causes (i.e. types of activity), which could feasibly be used to support future, prospective mental health support research.

The combination of Reinforcement Learning (RL) with deep learning has led to a series of impressive feats, with many believing (deep) RL provides a path towards generally capable agents. However, the success of RL agents is often highly sensitive to design choices in the training process, which may require tedious and error-prone manual tuning. This makes it challenging to use RL for new problems, while also limits its full potential. In many other areas of machine learning, AutoML has shown it is possible to automate such design choices and has also yielded promising initial results when applied to RL. However, Automated Reinforcement Learning (AutoRL) involves not only standard applications of AutoML but also includes additional challenges unique to RL, that naturally produce a different set of methods. As such, AutoRL has been emerging as an important area of research in RL, providing promise in a variety of applications from RNA design to playing games such as Go. Given the diversity of methods and environments considered in RL, much of the research has been conducted in distinct subfields, ranging from meta-learning to evolution. In this survey we seek to unify the field of AutoRL, we provide a common taxonomy, discuss each area in detail and pose open problems which would be of interest to researchers going forward.

Cardiac ultrasound (US) scanning is a commonly used techniques in cardiology to diagnose the health of the heart and its proper functioning. Therefore, it is necessary to consider ways to automate these tasks and assist medical professionals in classifying and assessing cardiac US images. Machine learning (ML) techniques are regarded as a prominent solution due to their success in numerous applications aimed at enhancing the medical field, including addressing the shortage of echography technicians. However, the limited availability of medical data presents a significant barrier to applying ML in cardiology, particularly regarding US images of the heart. This paper addresses this challenge by introducing the first open graded dataset for Cardiac Assessment and ClassificaTion of UltraSound (CACTUS), which is available online. This dataset contains images obtained from scanning a CAE Blue Phantom and representing various heart views and different quality levels, exceeding the conventional cardiac views typically found in the literature. Additionally, the paper introduces a Deep Learning (DL) framework consisting of two main components. The first component classifies cardiac US images based on the heart view using a Convolutional Neural Network (CNN). The second component uses Transfer Learning (TL) to fine-tune the knowledge from the first component and create a model for grading and assessing cardiac images. The framework demonstrates high performance in both classification and grading, achieving up to 99.43% accuracy and as low as 0.3067 error, respectively. To showcase its robustness, the framework is further fine-tuned using new images representing additional cardiac views and compared to several other state-of-the-art architectures. The framework's outcomes and performance in handling real-time scans were also assessed using a questionnaire answered by cardiac experts.

Automated detection of defects in Printed Circuit Board (PCB) manufacturing using Solder Paste Inspection (SPI) and Automated Optical Inspection (AOI) machines can help improve operational efficiency and significantly reduce the need for manual intervention. In this paper, using SPI-extracted features of 6 million pins, we demonstrate a data-centric approach to train Machine Learning (ML) models to detect PCB defects at three stages of PCB manufacturing. The 6 million PCB pins correspond to 2 million components that belong to 15,387 PCBs. Using a base extreme gradient boosting (XGBoost) ML model, we iterate on the data pre-processing step to improve detection performance. Combining pin-level SPI features using component and PCB IDs, we developed training instances also at the component and PCB level. This allows the ML model to capture any inter-pin, inter-component, or spatial effects that may not be apparent at the pin level. Models are trained at the pin, component, and PCB levels, and the detection results from the different models are combined to identify defective components.

In disentangling the heterogeneity observed in psychopathology, personality of the patients is considered crucial. While it has been demonstrated that personality traits are reflected in the language used by a patient, we hypothesize that this enables automatic inference of the personality type directly from speech utterances, potentially more accurately than through a traditional questionnaire-based approach explicitly designed for personality classification. To validate this hypothesis, we adopt natural language processing (NLP) and standard machine learning tools for classification. We test this on a dataset of recorded clinical diagnostic interviews (CDI) on a sample of 79 patients diagnosed with major depressive disorder (MDD) -- a condition for which differentiated treatment based on personality styles has been advocated -- and classified into anaclitic and introjective personality styles. We start by analyzing the interviews to see which linguistic features are associated with each style, in order to gain a better understanding of the styles. Then, we develop automatic classifiers based on (a) standardized questionnaire responses; (b) basic text features, i.e., TF-IDF scores of words and word sequences; (c) more advanced text features, using LIWC (linguistic inquiry and word count) and context-aware features using BERT (bidirectional encoder representations from transformers); (d) audio features. We find that automated classification with language-derived features (i.e., based on LIWC) significantly outperforms questionnaire-based classification models. Furthermore, the best performance is achieved by combining LIWC with the questionnaire features. This suggests that more work should be put into developing linguistically based automated techniques for characterizing personality, however questionnaires still to some extent complement such methods.

The most widely used method for obtaining high-quality two-dimensional materials is through mechanical exfoliation of bulk crystals. Manual identification of suitable flakes from the resulting random distribution of crystal thicknesses and sizes on a substrate is a time-consuming, tedious task. Here, we present a platform for fully automated scanning, detection, and classification of two-dimensional materials, the source code of which we make openly available. Our platform is designed to be accurate, reliable, fast, and versatile in integrating new materials, making it suitable for everyday laboratory work. The implementation allows fully automated scanning and analysis of wafers with an average inference time of 100 ms for images of 2.3 Mpixels. The developed detection algorithm is based on a combination of the flakes' optical contrast toward the substrate and their geometric shape. We demonstrate that it is able to detect the majority of exfoliated flakes of various materials, with an average recall (AR50) between 67% and 89%. We also show that the algorithm can be trained with as few as five flakes of a given material, which we demonstrate for the examples of few-layer graphene, WSe_2, MoSe_2, CrI_3, 1T-TaS_2 and hexagonal BN. Our platform has been tested over a two-year period, during which more than 10^6 images of multiple different materials were acquired by over 30 individual researchers.

Modern astronomical surveys, such as the Zwicky Transient Facility (ZTF), are capable of detecting thousands of transient events per year, necessitating the use of automated and scalable data analysis techniques. Recent advances in machine learning have enabled the efficient classification and characterization of these transient phenomena. We aim to develop a fully systematic pipeline to identify candidate stellar collision events in galactic nuclei, which may otherwise be identified as tidal disruption events or other transients. We also seek to validate our simulations by comparing key physical parameters derived from observations and used in modeling these events. We generate a comprehensive bank of simulated light curves spanning a range of physical parameters and employ an approximate nearest neighbor algorithm (via the annoy library) to match these with observed ZTF light curves. Our pipeline is successfully able to associate observed ZTF light curves with simulated events. The resulting estimated parameters, including supermassive black hole masses and ejecta mass, are presented and compared to known values when applicable. We demonstrate that a systematic, machine learning-based approach can effectively identify and characterize stellar collision candidate events from large-scale transient surveys. This methodology is especially promising for future surveys which will provide us with significantly high volumes of data, such as LSST, where automated, data-intensive analysis will be critical for advancing our understanding of transient astrophysical phenomena.

We present our vision for developing an automated tool capable of translating visual properties observed in Machine Learning (ML) visualisations into Python assertions. The tool aims to streamline the process of manually verifying these visualisations in the ML development cycle, which is critical as real-world data and assumptions often change post-deployment. In a prior study, we mined 54,070 Jupyter notebooks from Github and created a catalogue of 269 semantically related visualisation-assertion (VA) pairs. Building on this catalogue, we propose to build a taxonomy that organises the VA pairs based on ML verification tasks. The input feature space comprises of a rich source of information mined from the Jupyter notebooks -- visualisations, Python source code, and associated markdown text. The effectiveness of various AI models, including traditional NLP4Code models and modern Large Language Models, will be compared using established machine translation metrics and evaluated through a qualitative study with human participants. The paper also plans to address the challenge of extending the existing VA pair dataset with additional pairs from Kaggle and to compare the tool's effectiveness with commercial generative AI models like ChatGPT. This research not only contributes to the field of ML system validation but also explores novel ways to leverage AI for automating and enhancing software engineering practices in ML.

Automated interpretation of electrocardiograms (ECG) has garnered significant attention with the advancements in machine learning methodologies. Despite the growing interest, most current studies focus solely on classification or regression tasks, which overlook a crucial aspect of clinical cardio-disease diagnosis: the diagnostic report generated by experienced human clinicians. In this paper, we introduce a novel approach to ECG interpretation, leveraging recent breakthroughs in Large Language Models (LLMs) and Vision-Transformer (ViT) models. Rather than treating ECG diagnosis as a classification or regression task, we propose an alternative method of automatically identifying the most similar clinical cases based on the input ECG data. Also, since interpreting ECG as images is more affordable and accessible, we process ECG as encoded images and adopt a vision-language learning paradigm to jointly learn vision-language alignment between encoded ECG images and ECG diagnosis reports. Encoding ECG into images can result in an efficient ECG retrieval system, which will be highly practical and useful in clinical applications. More importantly, our findings could serve as a crucial resource for providing diagnostic services in underdeveloped regions.

Farmers face several challenges when growing crops like uncertain irrigation, poor soil quality, etc. Especially in India, a major fraction of farmers do not have the knowledge to select appropriate crops and fertilizers. Moreover, crop failure due to disease causes a significant loss to the farmers, as well as the consumers. While there have been recent developments in the automated detection of these diseases using Machine Learning techniques, the utilization of Deep Learning has not been fully explored. Additionally, such models are not easy to use because of the high-quality data used in their training, lack of computational power, and poor generalizability of the models. To this end, we create an open-source easy-to-use web application to address some of these issues which may help improve crop production. In particular, we support crop recommendation, fertilizer recommendation, plant disease prediction, and an interactive news-feed. In addition, we also use interpretability techniques in an attempt to explain the prediction made by our disease detection model.

There is an increasing need to bring machine learning to a wide diversity of hardware devices. Current frameworks rely on vendor-specific operator libraries and optimize for a narrow range of server-class GPUs. Deploying workloads to new platforms -- such as mobile phones, embedded devices, and accelerators (e.g., FPGAs, ASICs) -- requires significant manual effort. We propose TVM, a compiler that exposes graph-level and operator-level optimizations to provide performance portability to deep learning workloads across diverse hardware back-ends. TVM solves optimization challenges specific to deep learning, such as high-level operator fusion, mapping to arbitrary hardware primitives, and memory latency hiding. It also automates optimization of low-level programs to hardware characteristics by employing a novel, learning-based cost modeling method for rapid exploration of code optimizations. Experimental results show that TVM delivers performance across hardware back-ends that are competitive with state-of-the-art, hand-tuned libraries for low-power CPU, mobile GPU, and server-class GPUs. We also demonstrate TVM's ability to target new accelerator back-ends, such as the FPGA-based generic deep learning accelerator. The system is open sourced and in production use inside several major companies.

State-of-the-art space science missions increasingly rely on automation due to spacecraft complexity and the costs of human oversight. The high volume of data, including scientific and telemetry data, makes manual inspection challenging. Machine learning offers significant potential to meet these demands. The Euclid space telescope, in its survey phase since February 2024, exemplifies this shift. Euclid's success depends on accurate monitoring and interpretation of housekeeping telemetry and science-derived data. Thousands of telemetry parameters, monitored as time series, may or may not impact the quality of scientific data. These parameters have complex interdependencies, often due to physical relationships (e.g., proximity of temperature sensors). Optimising science operations requires careful anomaly detection and identification of hidden parameter states. Moreover, understanding the interactions between known anomalies and physical quantities is crucial yet complex, as related parameters may display anomalies with varied timing and intensity. We address these challenges by analysing temperature anomalies in Euclid's telemetry from February to August 2024, focusing on eleven temperature parameters and 35 covariates. We use a predictive XGBoost model to forecast temperatures based on historical values, detecting anomalies as deviations from predictions. A second XGBoost model predicts anomalies from covariates, capturing their relationships to temperature anomalies. We identify the top three anomalies per parameter and analyse their interactions with covariates using SHAP (Shapley Additive Explanations), enabling rapid, automated analysis of complex parameter relationships. Our method demonstrates how machine learning can enhance telemetry monitoring, offering scalable solutions for other missions with similar data challenges.

Quantified policy targets are a fundamental element of climate policy, typically characterised by domain-specific and technical language. Current methods for curating comprehensive views of global climate policy targets entail significant manual effort. At present there are few scalable methods for extracting climate targets from national laws or policies, which limits policymakers' and researchers' ability to (1) assess private and public sector alignment with global goals and (2) inform policy decisions. In this paper we present an approach for extracting mentions of climate targets from national laws and policies. We create an expert-annotated dataset identifying three categories of target ('Net Zero', 'Reduction' and 'Other' (e.g. renewable energy targets)) and train a classifier to reliably identify them in text. We investigate bias and equity impacts related to our model and identify specific years and country names as problematic features. Finally, we investigate the characteristics of the dataset produced by running this classifier on the Climate Policy Radar (CPR) dataset of global national climate laws and policies and UNFCCC submissions, highlighting the potential of automated and scalable data collection for existing climate policy databases and supporting further research. Our work represents a significant upgrade in the accessibility of these key climate policy elements for policymakers and researchers. We publish our model at https://huggingface.co/ClimatePolicyRadar/national-climate-targets and related dataset at https://huggingface.co/datasets/ClimatePolicyRadar/national-climate-targets.

Pre-trained language models (PLM) based on transformer neural networks developed in the field of natural language processing (NLP) offer great opportunities to improve automatic content analysis in communication science, especially for the coding of complex semantic categories in large datasets via supervised machine learning. However, three characteristics so far impeded the widespread adoption of the methods in the applying disciplines: the dominance of English language models in NLP research, the necessary computing resources, and the effort required to produce training data to fine-tune PLMs. In this study, we address these challenges by using a multilingual transformer model in combination with the adapter extension to transformers, and few-shot learning methods. We test our approach on a realistic use case from communication science to automatically detect claims and arguments together with their stance in the German news debate on arms deliveries to Ukraine. In three experiments, we evaluate (1) data preprocessing strategies and model variants for this task, (2) the performance of different few-shot learning methods, and (3) how well the best setup performs on varying training set sizes in terms of validity, reliability, replicability and reproducibility of the results. We find that our proposed combination of transformer adapters with pattern exploiting training provides a parameter-efficient and easily shareable alternative to fully fine-tuning PLMs. It performs on par in terms of validity, while overall, provides better properties for application in communication studies. The results also show that pre-fine-tuning for a task on a near-domain dataset leads to substantial improvement, in particular in the few-shot setting. Further, the results indicate that it is useful to bias the dataset away from the viewpoints of specific prominent individuals.

Increasing numbers of software vulnerabilities are discovered every year whether they are reported publicly or discovered internally in proprietary code. These vulnerabilities can pose serious risk of exploit and result in system compromise, information leaks, or denial of service. We leveraged the wealth of C and C++ open-source code available to develop a large-scale function-level vulnerability detection system using machine learning. To supplement existing labeled vulnerability datasets, we compiled a vast dataset of millions of open-source functions and labeled it with carefully-selected findings from three different static analyzers that indicate potential exploits. The labeled dataset is available at: https://osf.io/d45bw/. Using these datasets, we developed a fast and scalable vulnerability detection tool based on deep feature representation learning that directly interprets lexed source code. We evaluated our tool on code from both real software packages and the NIST SATE IV benchmark dataset. Our results demonstrate that deep feature representation learning on source code is a promising approach for automated software vulnerability detection.

Open-access multispectral imagery from missions like Landsat 8-9 and Sentinel-2 has fueled the development of geospatial foundation models (GFMs) for humanitarian and environmental applications. Yet, their deployment remains limited by (i) the absence of automated geospatial data pipelines and (ii) the large size of fine-tuned models. Existing GFMs lack workflows for processing raw satellite imagery, and downstream adaptations often retain the full complexity of the original encoder. We present InstaGeo, an open-source, end-to-end framework that addresses these challenges by integrating: (1) automated data curation to transform raw imagery into model-ready datasets; (2) task-specific model distillation to derive compact, compute-efficient models; and (3) seamless deployment as interactive web-map applications. Using InstaGeo, we reproduced datasets from three published studies and trained models with marginal mIoU differences of -0.73 pp for flood mapping, -0.20 pp for crop segmentation, and +1.79 pp for desert locust prediction. The distilled models are up to 8x smaller than standard fine-tuned counterparts, reducing FLOPs and CO2 emissions with minimal accuracy loss. Leveraging InstaGeo's streamlined data pipeline, we also curated a larger crop segmentation dataset, achieving a state-of-the-art mIoU of 60.65%, a 12 pp improvement over prior baselines. Moreover, InstaGeo enables users to progress from raw data to model deployment within a single working day. By unifying data preparation, model compression, and deployment, InstaGeo transforms research-grade GFMs into practical, low-carbon tools for real-time, large-scale Earth observation. This approach shifts geospatial AI toward data quality and application-driven innovation. Source code, datasets, and model checkpoints are available at: https://github.com/instadeepai/InstaGeo-E2E-Geospatial-ML.git

The increasing frequency of catastrophic natural events, such as wildfires, calls for the development of rapid and automated wildfire detection systems. In this paper, we propose a wildfire identification solution to improve the accuracy of automated satellite-based hotspot detection systems by leveraging multiple information sources. We cross-reference the thermal anomalies detected by the Moderate-resolution Imaging Spectroradiometer (MODIS) and the Visible Infrared Imaging Radiometer Suite (VIIRS) hotspot services with the European Forest Fire Information System (EFFIS) database to construct a large-scale hotspot dataset for wildfire-related studies in Europe. Then, we propose a novel multimodal supervised machine learning approach to disambiguate hotspot detections, distinguishing between wildfires and other events. Our methodology includes the use of multimodal data sources, such as the ERSI annual Land Use Land Cover (LULC) and the Copernicus Sentinel-3 data. Experimental results demonstrate the effectiveness of our approach in the task of wildfire identification.

We propose a hybrid machine learning architecture that simultaneously employs multiple deep learning models analyzing contextual and behavioral characteristics of Windows portable executable, producing a final prediction based on a decision from the meta-model. The detection heuristic in contemporary machine learning Windows malware classifiers is typically based on the static properties of the sample since dynamic analysis through virtualization is challenging for vast quantities of samples. To surpass this limitation, we employ a Windows kernel emulation that allows the acquisition of behavioral patterns across large corpora with minimal temporal and computational costs. We partner with a security vendor for a collection of more than 100k int-the-wild samples that resemble the contemporary threat landscape, containing raw PE files and filepaths of applications at the moment of execution. The acquired dataset is at least ten folds larger than reported in related works on behavioral malware analysis. Files in the training dataset are labeled by a professional threat intelligence team, utilizing manual and automated reverse engineering tools. We estimate the hybrid classifier's operational utility by collecting an out-of-sample test set three months later from the acquisition of the training set. We report an improved detection rate, above the capabilities of the current state-of-the-art model, especially under low false-positive requirements. Additionally, we uncover a meta-model's ability to identify malicious activity in validation and test sets even if none of the individual models express enough confidence to mark the sample as malevolent. We conclude that the meta-model can learn patterns typical to malicious samples from representation combinations produced by different analysis techniques. We publicly release pre-trained models and anonymized dataset of emulation reports.

Tracking progress in machine learning has become increasingly difficult with the recent explosion in the number of papers. In this paper, we present AxCell, an automatic machine learning pipeline for extracting results from papers. AxCell uses several novel components, including a table segmentation subtask, to learn relevant structural knowledge that aids extraction. When compared with existing methods, our approach significantly improves the state of the art for results extraction. We also release a structured, annotated dataset for training models for results extraction, and a dataset for evaluating the performance of models on this task. Lastly, we show the viability of our approach enables it to be used for semi-automated results extraction in production, suggesting our improvements make this task practically viable for the first time. Code is available on GitHub.

Recent advancements in AI agents have demonstrated their growing potential to drive and support scientific discovery. In this work, we introduce MLR-Bench, a comprehensive benchmark for evaluating AI agents on open-ended machine learning research. MLR-Bench includes three key components: (1) 201 research tasks sourced from NeurIPS, ICLR, and ICML workshops covering diverse ML topics; (2) MLR-Judge, an automated evaluation framework combining LLM-based reviewers with carefully designed review rubrics to assess research quality; and (3) MLR-Agent, a modular agent scaffold capable of completing research tasks through four stages: idea generation, proposal formulation, experimentation, and paper writing. Our framework supports both stepwise assessment across these distinct research stages, and end-to-end evaluation of the final research paper. We then use MLR-Bench to evaluate six frontier LLMs and an advanced coding agent, finding that while LLMs are effective at generating coherent ideas and well-structured papers, current coding agents frequently (e.g., in 80% of the cases) produce fabricated or invalidated experimental results--posing a major barrier to scientific reliability. We validate MLR-Judge through human evaluation, showing high agreement with expert reviewers, supporting its potential as a scalable tool for research evaluation. We open-source MLR-Bench to help the community benchmark, diagnose, and improve AI research agents toward trustworthy and transparent scientific discovery.

This paper describes gaps in acquisition of drone imagery that impair the use with computer vision/machine learning (CV/ML) models and makes five recommendations to maximize image suitability for CV/ML post-processing. It describes a notional work process for the use of drones in wilderness search and rescue incidents. The large volume of data from the wide area search phase offers the greatest opportunity for CV/ML techniques because of the large number of images that would otherwise have to be manually inspected. The 2023 Wu-Murad search in Japan, one of the largest missing person searches conducted in that area, serves as a case study. Although drone teams conducting wide area searches may not know in advance if the data they collect is going to be used for CV/ML post-processing, there are data collection procedures that can improve the search in general with automated collection software. If the drone teams do expect to use CV/ML, then they can exploit knowledge about the model to further optimize flights.

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate models that address end-to-end problems by linking protein structure to material properties or vice versa. However, these models frequently focus on specific material objectives or structural properties, limiting their flexibility when incorporating out-of-domain knowledge into the design process or comprehensive data analysis is required. In this study, we introduce ProtAgents, a platform for de novo protein design based on Large Language Models (LLMs), where multiple AI agents with distinct capabilities collaboratively address complex tasks within a dynamic environment. The versatility in agent development allows for expertise in diverse domains, including knowledge retrieval, protein structure analysis, physics-based simulations, and results analysis. The dynamic collaboration between agents, empowered by LLMs, provides a versatile approach to tackling protein design and analysis problems, as demonstrated through diverse examples in this study. The problems of interest encompass designing new proteins, analyzing protein structures and obtaining new first-principles data -- natural vibrational frequencies -- via physics simulations. The concerted effort of the system allows for powerful automated and synergistic design of de novo proteins with targeted mechanical properties. The flexibility in designing the agents, on one hand, and their capacity in autonomous collaboration through the dynamic LLM-based multi-agent environment on the other hand, unleashes great potentials of LLMs in addressing multi-objective materials problems and opens up new avenues for autonomous materials discovery and design.

As big data grows ubiquitous across many domains, more and more stakeholders seek to develop Machine Learning (ML) applications on their data. The success of an ML application usually depends on the close collaboration of ML experts and domain experts. However, the shortage of ML engineers remains a fundamental problem. Low-code Machine learning tools/platforms (aka, AutoML) aim to democratize ML development to domain experts by automating many repetitive tasks in the ML pipeline. This research presents an empirical study of around 14k posts (questions + accepted answers) from Stack Overflow (SO) that contained AutoML-related discussions. We examine how these topics are spread across the various Machine Learning Life Cycle (MLLC) phases and their popularity and difficulty. This study offers several interesting findings. First, we find 13 AutoML topics that we group into four categories. The MLOps topic category (43% questions) is the largest, followed by Model (28% questions), Data (27% questions), Documentation (2% questions). Second, Most questions are asked during Model training (29%) (i.e., implementation phase) and Data preparation (25%) MLLC phase. Third, AutoML practitioners find the MLOps topic category most challenging, especially topics related to model deployment & monitoring and Automated ML pipeline. These findings have implications for all three AutoML stakeholders: AutoML researchers, AutoML service vendors, and AutoML developers. Academia and Industry collaboration can improve different aspects of AutoML, such as better DevOps/deployment support and tutorial-based documentation.

Advances in AI-assisted research have introduced powerful tools for literature retrieval, hypothesis generation, experimentation, and manuscript preparation. However, systems remain fragmented and lack human-centred workflows. To address these gaps, we introduce AIssistant, an agentic, open-source Human-AI collaborative framework designed to simplify the end-to-end creation of scientific workflows. Since our development is still in an early stage, we present here the first experiments with AIssistant for perspective and review research papers in machine learning. Our system integrates modular tools and agents for literature synthesis, section-wise experimentation, citation management, and automatic LaTeX paper text generation, while maintaining human oversight at every stage to ensure accuracy, coherence, and scholarly rigour. We conducted a comprehensive evaluation across three layers: (1) Independent Human Review, following NeurIPS double-blind standards; (2) Automated LLM Review, using GPT-5 as a scalable human review proxy; and (3) Program Chair Oversight, where the chair monitors the entire review process and makes final validation and acceptance decisions. The results demonstrate that AIssistant improves drafting efficiency and thematic consistency. Nonetheless, Human-AI collaboration remains essential for maintaining factual correctness, methodological soundness, and ethical compliance. Despite its effectiveness, we identify key limitations, including hallucinated citations, difficulty adapting to dynamic paper structures, and incomplete integration of multimodal content.

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

Medical imaging plays a crucial role in diagnosis, with radiology reports serving as vital documentation. Automating report generation has emerged as a critical need to alleviate the workload of radiologists. While machine learning has facilitated report generation for 2D medical imaging, extending this to 3D has been unexplored due to computational complexity and data scarcity. We introduce the first method to generate radiology reports for 3D medical imaging, specifically targeting chest CT volumes. Given the absence of comparable methods, we establish a baseline using an advanced 3D vision encoder in medical imaging to demonstrate our method's effectiveness, which leverages a novel auto-regressive causal transformer. Furthermore, recognizing the benefits of leveraging information from previous visits, we augment CT2Rep with a cross-attention-based multi-modal fusion module and hierarchical memory, enabling the incorporation of longitudinal multimodal data. Access our code at https://github.com/ibrahimethemhamamci/CT2Rep

Terms of service of on-line platforms too often contain clauses that are potentially unfair to the consumer. We present an experimental study where machine learning is employed to automatically detect such potentially unfair clauses. Results show that the proposed system could provide a valuable tool for lawyers and consumers alike.

Assessing student's answers and in particular natural language answers is a crucial challenge in the field of education. Advances in machine learning, including transformer-based models such as Large Language Models(LLMs), have led to significant progress in various natural language tasks. Nevertheless, amidst the growing trend of evaluating LLMs across diverse tasks, evaluating LLMs in the realm of automated answer assesment has not received much attention. To address this gap, we explore the potential of using LLMs for automated assessment of student's short and open-ended answer. Particularly, we use LLMs to compare students' explanations with expert explanations in the context of line-by-line explanations of computer programs. For comparison purposes, we assess both Large Language Models (LLMs) and encoder-based Semantic Textual Similarity (STS) models in the context of assessing the correctness of students' explanation of computer code. Our findings indicate that LLMs, when prompted in few-shot and chain-of-thought setting perform comparable to fine-tuned encoder-based models in evaluating students' short answers in programming domain.

Scaling up deep learning models has been proven effective to improve intelligence of machine learning (ML) models, especially for industry recommendation models and large language models. The co-design of distributed ML systems and algorithms (to maximize training performance) plays a pivotal role for its success. As it scales, the number of co-design hyper-parameters grows rapidly which brings challenges to feasibly find the optimal setup for system performance maximization. In this paper, we propose CubicML which uses ML to automatically optimize training performance of distributed ML systems. In CubicML, we use a ML model as a proxy to predict the training performance for search efficiency and performance modeling flexibility. We proved that CubicML can effectively optimize training speed of in-house ads recommendation models and large language models at Meta.

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

Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution electron microscopy offers a potential source of structural data, converting these images into simulation-ready formats remains labor-intensive and error-prone, creating a bottleneck for model training and validation. We introduce AutoMat, an end-to-end, agent-assisted pipeline that automatically transforms scanning transmission electron microscopy (STEM) images into atomic crystal structures and predicts their physical properties. AutoMat combines pattern-adaptive denoising, physics-guided template retrieval, symmetry-aware atomic reconstruction, fast relaxation and property prediction via MatterSim, and coordinated orchestration across all stages. We propose the first dedicated STEM2Mat-Bench for this task and evaluate performance using lattice RMSD, formation energy MAE, and structure-matching success rate. By orchestrating external tool calls, AutoMat enables a text-only LLM to outperform vision-language models in this domain, achieving closed-loop reasoning throughout the pipeline. In large-scale experiments over 450 structure samples, AutoMat substantially outperforms existing multimodal large language models and tools. These results validate both AutoMat and STEM2Mat-Bench, marking a key step toward bridging microscopy and atomistic simulation in materials science.The code and dataset are publicly available at https://github.com/yyt-2378/AutoMat and https://huggingface.co/datasets/yaotianvector/STEM2Mat.

Background: The C and C++ languages hold significant importance in Software Engineering research because of their widespread use in practice. Numerous studies have utilized Machine Learning (ML) and Deep Learning (DL) techniques to detect software vulnerabilities (SVs) in the source code written in these languages. However, the application of these techniques in function-level SV assessment has been largely unexplored. SV assessment is increasingly crucial as it provides detailed information on the exploitability, impacts, and severity of security defects, thereby aiding in their prioritization and remediation. Aims: We conduct the first empirical study to investigate and compare the performance of ML and DL models, many of which have been used for SV detection, for function-level SV assessment in C/C++. Method: Using 9,993 vulnerable C/C++ functions, we evaluated the performance of six multi-class ML models and five multi-class DL models for the SV assessment at the function level based on the Common Vulnerability Scoring System (CVSS). We further explore multi-task learning, which can leverage common vulnerable code to predict all SV assessment outputs simultaneously in a single model, and compare the effectiveness and efficiency of this model type with those of the original multi-class models. Results: We show that ML has matching or even better performance compared to the multi-class DL models for function-level SV assessment with significantly less training time. Employing multi-task learning allows the DL models to perform significantly better, with an average of 8-22% increase in Matthews Correlation Coefficient (MCC). Conclusions: We distill the practices of using data-driven techniques for function-level SV assessment in C/C++, including the use of multi-task DL to balance efficiency and effectiveness. This can establish a strong foundation for future work in this area.

Fake engagement is one of the significant problems in Online Social Networks (OSNs) which is used to increase the popularity of an account in an inorganic manner. The detection of fake engagement is crucial because it leads to loss of money for businesses, wrong audience targeting in advertising, wrong product predictions systems, and unhealthy social network environment. This study is related with the detection of fake and automated accounts which leads to fake engagement on Instagram. Prior to this work, there were no publicly available dataset for fake and automated accounts. For this purpose, two datasets have been published for the detection of fake and automated accounts. For the detection of these accounts, machine learning algorithms like Naive Bayes, Logistic Regression, Support Vector Machines and Neural Networks are applied. Additionally, for the detection of automated accounts, cost sensitive genetic algorithm is proposed to handle the unnatural bias in the dataset. To deal with the unevenness problem in the fake dataset, Smote-nc algorithm is implemented. For the automated and fake account detection datasets, 86% and 96% classification accuracies are obtained, respectively.

Fully automating machine learning pipelines is one of the key challenges of current artificial intelligence research, since practical machine learning often requires costly and time-consuming human-powered processes such as model design, algorithm development, and hyperparameter tuning. In this paper, we verify that automated architecture search synergizes with the effect of gradient-based meta learning. We adopt the progressive neural architecture search liu:pnas_google:DBLP:journals/corr/abs-1712-00559 to find optimal architectures for meta-learners. The gradient based meta-learner whose architecture was automatically found achieved state-of-the-art results on the 5-shot 5-way Mini-ImageNet classification problem with 74.65% accuracy, which is 11.54% improvement over the result obtained by the first gradient-based meta-learner called MAML finn:maml:DBLP:conf/icml/FinnAL17. To our best knowledge, this work is the first successful neural architecture search implementation in the context of meta learning.

Here we present the first method for tracking each leg of a fruit fly behaving spontaneously upon a trackball, in real time. Legs were tracked with infrared-fluorescent dye invisible to the fly, and compatible with two-photon microscopy and controlled visual stimuli. We developed machine learning classifiers to identify instances of numerous behavioral features (e.g. walking, turning, grooming) thus producing the highest resolution ethological profiles for individual flies.

The increasing complexity of machine learning models and the proliferation of diverse hardware architectures (CPUs, GPUs, accelerators) make achieving optimal performance a significant challenge. Heterogeneity in instruction sets, specialized kernel requirements for different data types and model features (e.g., sparsity, quantization), and architecture-specific optimizations complicate performance tuning. Manual optimization is resource-intensive, while existing automatic approaches often rely on complex hardware-specific heuristics and uninterpretable intermediate representations, hindering performance portability. We introduce PerfLLM, a novel automatic optimization methodology leveraging Large Language Models (LLMs) and Reinforcement Learning (RL). Central to this is PerfDojo, an environment framing optimization as an RL game using a human-readable, mathematically-inspired code representation that guarantees semantic validity through transformations. This allows effective optimization without prior hardware knowledge, facilitating both human analysis and RL agent training. We demonstrate PerfLLM's ability to achieve significant performance gains across diverse CPU (x86, Arm, RISC-V) and GPU architectures.

Nasal Cytology is a new and efficient clinical technique to diagnose rhinitis and allergies that is not much widespread due to the time-consuming nature of cell counting; that is why AI-aided counting could be a turning point for the diffusion of this technique. In this article we present the first dataset of rhino-cytological field images: the NCD (Nasal Cytology Dataset), aimed to train and deploy Object Detection models to support physicians and biologists during clinical practice. The real distribution of the cytotypes, populating the nasal mucosa has been replicated, sampling images from slides of clinical patients, and manually annotating each cell found on them. The correspondent object detection task presents non'trivial issues associated with the strong class imbalancement, involving the rarest cell types. This work contributes to some of open challenges by presenting a novel machine learning-based approach to aid the automated detection and classification of nasal mucosa cells: the DETR and YOLO models shown good performance in detecting cells and classifying them correctly, revealing great potential to accelerate the work of rhinology experts.

Recent advancements in machine learning have significantly improved the identification of disease-associated genes from gene expression datasets. However, these processes often require extensive expertise and manual effort, limiting their scalability. Large Language Model (LLM)-based agents have shown promise in automating these tasks due to their increasing problem-solving abilities. To support the evaluation and development of such methods, we introduce GenoTEX, a benchmark dataset for the automated analysis of gene expression data. GenoTEX provides annotated code and results for solving a wide range of gene identification problems, encompassing dataset selection, preprocessing, and statistical analysis, in a pipeline that follows computational genomics standards. The benchmark includes expert-curated annotations from bioinformaticians to ensure accuracy and reliability. To provide baselines for these tasks, we present GenoAgent, a team of LLM-based agents that adopt a multi-step programming workflow with flexible self-correction, to collaboratively analyze gene expression datasets. Our experiments demonstrate the potential of LLM-based methods in analyzing genomic data, while error analysis highlights the challenges and areas for future improvement. We propose GenoTEX as a promising resource for benchmarking and enhancing automated methods for gene expression data analysis. The benchmark is available at https://github.com/Liu-Hy/GenoTex.

The conventional evaluation protocols on machine learning models rely heavily on a labeled, i.i.d-assumed testing dataset, which is not often present in real world applications. The Automated Model Evaluation (AutoEval) shows an alternative to this traditional workflow, by forming a proximal prediction pipeline of the testing performance without the presence of ground-truth labels. Despite its recent successes, the AutoEval frameworks still suffer from an overconfidence issue, substantial storage and computational cost. In that regard, we propose a novel measure -- Meta-Distribution Energy (MDE) -- that allows the AutoEval framework to be both more efficient and effective. The core of the MDE is to establish a meta-distribution statistic, on the information (energy) associated with individual samples, then offer a smoother representation enabled by energy-based learning. We further provide our theoretical insights by connecting the MDE with the classification loss. We provide extensive experiments across modalities, datasets and different architectural backbones to validate MDE's validity, together with its superiority compared with prior approaches. We also prove MDE's versatility by showing its seamless integration with large-scale models, and easy adaption to learning scenarios with noisy- or imbalanced- labels. Code and data are available: https://github.com/pengr/Energy_AutoEval

Machine learning plays an ever-bigger part in online recruitment, powering intelligent matchmaking and job recommendations across many of the world's largest job platforms. However, the main text is rarely enough to fully understand a job posting: more often than not, much of the required information is condensed into the job title. Several organised efforts have been made to map job titles onto a hand-made knowledge base as to provide this information, but these only cover around 60\% of online vacancies. We introduce a novel, purely data-driven approach towards the detection of new job titles. Our method is conceptually simple, extremely efficient and competitive with traditional NER-based approaches. Although the standalone application of our method does not outperform a finetuned BERT model, it can be applied as a preprocessing step as well, substantially boosting accuracy across several architectures.

Recent advancements in machine learning have spurred growing interests in automated interpreting quality assessment. Nevertheless, existing research suffers from insufficient examination of language use quality, unsatisfactory modeling effectiveness due to data scarcity and imbalance, and a lack of efforts to explain model predictions. To address these gaps, we propose a multi-dimensional modeling framework that integrates feature engineering, data augmentation, and explainable machine learning. This approach prioritizes explainability over ``black box'' predictions by utilizing only construct-relevant, transparent features and conducting Shapley Value (SHAP) analysis. Our results demonstrate strong predictive performance on a novel English-Chinese consecutive interpreting dataset, identifying BLEURT and CometKiwi scores to be the strongest predictive features for fidelity, pause-related features for fluency, and Chinese-specific phraseological diversity metrics for language use. Overall, by placing particular emphasis on explainability, we present a scalable, reliable, and transparent alternative to traditional human evaluation, facilitating the provision of detailed diagnostic feedback for learners and supporting self-regulated learning advantages not afforded by automated scores in isolation.

The automated code evaluation system (AES) is mainly designed to reliably assess user-submitted code. Due to their extensive range of applications and the accumulation of valuable resources, AESs are becoming increasingly popular. Research on the application of AES and their real-world resource exploration for diverse coding tasks is still lacking. In this study, we conducted a comprehensive survey on AESs and their resources. This survey explores the application areas of AESs, available resources, and resource utilization for coding tasks. AESs are categorized into programming contests, programming learning and education, recruitment, online compilers, and additional modules, depending on their application. We explore the available datasets and other resources of these systems for research, analysis, and coding tasks. Moreover, we provide an overview of machine learning-driven coding tasks, such as bug detection, code review, comprehension, refactoring, search, representation, and repair. These tasks are performed using real-life datasets. In addition, we briefly discuss the Aizu Online Judge platform as a real example of an AES from the perspectives of system design (hardware and software), operation (competition and education), and research. This is due to the scalability of the AOJ platform (programming education, competitions, and practice), open internal features (hardware and software), attention from the research community, open source data (e.g., solution codes and submission documents), and transparency. We also analyze the overall performance of this system and the perceived challenges over the years.

We present the AI Cosmologist, an agentic system designed to automate cosmological/astronomical data analysis and machine learning research workflows. This implements a complete pipeline from idea generation to experimental evaluation and research dissemination, mimicking the scientific process typically performed by human researchers. The system employs specialized agents for planning, coding, execution, analysis, and synthesis that work together to develop novel approaches. Unlike traditional auto machine-learning systems, the AI Cosmologist generates diverse implementation strategies, writes complete code, handles execution errors, analyzes results, and synthesizes new approaches based on experimental outcomes. We demonstrate the AI Cosmologist capabilities across several machine learning tasks, showing how it can successfully explore solution spaces, iterate based on experimental results, and combine successful elements from different approaches. Our results indicate that agentic systems can automate portions of the research process, potentially accelerating scientific discovery. The code and experimental data used in this paper are available on GitHub at https://github.com/adammoss/aicosmologist. Example papers included in the appendix demonstrate the system's capability to autonomously produce complete scientific publications, starting from only the dataset and task description

A comprehensive understanding of animal behavior ecology depends on scalable approaches to quantify and interpret complex, multidimensional behavioral patterns. Traditional field observations are often limited in scope, time-consuming, and labor-intensive, hindering the assessment of behavioral responses across landscapes. To address this, we present kabr-tools (Kenyan Animal Behavior Recognition Tools), an open-source package for automated multi-species behavioral monitoring. This framework integrates drone-based video with machine learning systems to extract behavioral, social, and spatial metrics from wildlife footage. Our pipeline leverages object detection, tracking, and behavioral classification systems to generate key metrics, including time budgets, behavioral transitions, social interactions, habitat associations, and group composition dynamics. Compared to ground-based methods, drone-based observations significantly improved behavioral granularity, reducing visibility loss by 15% and capturing more transitions with higher accuracy and continuity. We validate kabr-tools through three case studies, analyzing 969 behavioral sequences, surpassing the capacity of traditional methods for data capture and annotation. We found that, like Plains zebras, vigilance in Grevy's zebras decreases with herd size, but, unlike Plains zebras, habitat has a negligible impact. Plains and Grevy's zebras exhibit strong behavioral inertia, with rare transitions to alert behaviors and observed spatial segregation between Grevy's zebras, Plains zebras, and giraffes in mixed-species herds. By enabling automated behavioral monitoring at scale, kabr-tools offers a powerful tool for ecosystem-wide studies, advancing conservation, biodiversity research, and ecological monitoring.

The Automated Model Evaluation (AutoEval) framework entertains the possibility of evaluating a trained machine learning model without resorting to a labeled testing set. Despite the promise and some decent results, the existing AutoEval methods heavily rely on computing distribution shifts between the unlabelled testing set and the training set. We believe this reliance on the training set becomes another obstacle in shipping this technology to real-world ML development. In this work, we propose Contrastive Automatic Model Evaluation (CAME), a novel AutoEval framework that is rid of involving training set in the loop. The core idea of CAME bases on a theoretical analysis which bonds the model performance with a contrastive loss. Further, with extensive empirical validation, we manage to set up a predictable relationship between the two, simply by deducing on the unlabeled/unseen testing set. The resulting framework CAME establishes a new SOTA results for AutoEval by surpassing prior work significantly.

Conversational data is essential in psychology because it can help researchers understand individuals cognitive processes, emotions, and behaviors. Utterance labelling is a common strategy for analyzing this type of data. The development of NLP algorithms allows researchers to automate this task. However, psychological conversational data present some challenges to NLP researchers, including multilabel classification, a large number of classes, and limited available data. This study explored how automated labels generated by NLP methods are comparable to human labels in the context of conversations on adulthood transition. We proposed strategies to handle three common challenges raised in psychological studies. Our findings showed that the deep learning method with domain adaptation (RoBERTa-CON) outperformed all other machine learning methods; and the hierarchical labelling system that we proposed was shown to help researchers strategically analyze conversational data. Our Python code and NLP model are available at https://github.com/mlaricheva/automated_labeling.

In this paper we introduce ResearchCodeAgent, a novel multi-agent system leveraging large language models (LLMs) agents to automate the codification of research methodologies described in machine learning literature. The system bridges the gap between high-level research concepts and their practical implementation, allowing researchers auto-generating code of existing research papers for benchmarking or building on top-of existing methods specified in the literature with availability of partial or complete starter code. ResearchCodeAgent employs a flexible agent architecture with a comprehensive action suite, enabling context-aware interactions with the research environment. The system incorporates a dynamic planning mechanism, utilizing both short and long-term memory to adapt its approach iteratively. We evaluate ResearchCodeAgent on three distinct machine learning tasks with distinct task complexity and representing different parts of the ML pipeline: data augmentation, optimization, and data batching. Our results demonstrate the system's effectiveness and generalizability, with 46.9% of generated code being high-quality and error-free, and 25% showing performance improvements over baseline implementations. Empirical analysis shows an average reduction of 57.9% in coding time compared to manual implementation. We observe higher gains for more complex tasks. ResearchCodeAgent represents a significant step towards automating the research implementation process, potentially accelerating the pace of machine learning research.

Formal reasoning and automated theorem proving constitute a challenging subfield of machine learning, in which machines are tasked with proving mathematical theorems using formal languages like Lean. A formal verification system can check whether a formal proof is correct or not almost instantaneously, but generating a completely correct formal proof with large language models (LLMs) remains a formidable task. The usual approach in the literature is to prompt the LLM many times (up to several thousands) until one of the generated proofs passes the verification system. In this work, we present APOLLO (Automated PrOof repair via LLM and Lean cOllaboration), a modular, model-agnostic pipeline that combines the strengths of the Lean compiler with an LLM's reasoning abilities to achieve better proof-generation results at a low sampling budget. Apollo directs a fully automated process in which the LLM generates proofs for theorems, a set of agents analyze the proofs, fix the syntax errors, identify the mistakes in the proofs using Lean, isolate failing sub-lemmas, utilize automated solvers, and invoke an LLM on each remaining goal with a low top-K budget. The repaired sub-proofs are recombined and reverified, iterating up to a user-controlled maximum number of attempts. On the miniF2F benchmark, we establish a new state-of-the-art accuracy of 75.0% among 7B-parameter models while keeping the sampling budget below one thousand. Moreover, Apollo raises the state-of-the-art accuracy for Goedel-Prover-SFT to 65.6% while cutting sample complexity from 25,600 to a few hundred. General-purpose models (o3-mini, o4-mini) jump from 3-7% to over 40% accuracy. Our results demonstrate that targeted, compiler-guided repair of LLM outputs yields dramatic gains in both efficiency and correctness, suggesting a general paradigm for scalable automated theorem proving.

Feature engineering has demonstrated substantial utility for many machine learning workflows, such as in the small data regime or when distribution shifts are severe. Thus automating this capability can relieve much manual effort and improve model performance. Towards this, we propose AutoMAN, or Automated Mask-based Feature Engineering, an automated feature engineering framework that achieves high accuracy, low latency, and can be extended to heterogeneous and time-varying data. AutoMAN is based on effectively exploring the candidate transforms space, without explicitly manifesting transformed features. This is achieved by learning feature importance masks, which can be extended to support other modalities such as time series. AutoMAN learns feature transform importance end-to-end, incorporating a dataset's task target directly into feature engineering, resulting in state-of-the-art performance with significantly lower latency compared to alternatives.

The goal of automated feature generation is to liberate machine learning experts from the laborious task of manual feature generation, which is crucial for improving the learning performance of tabular data. The major challenge in automated feature generation is to efficiently and accurately identify effective features from a vast pool of candidate features. In this paper, we present OpenFE, an automated feature generation tool that provides competitive results against machine learning experts. OpenFE achieves high efficiency and accuracy with two components: 1) a novel feature boosting method for accurately evaluating the incremental performance of candidate features and 2) a two-stage pruning algorithm that performs feature pruning in a coarse-to-fine manner. Extensive experiments on ten benchmark datasets show that OpenFE outperforms existing baseline methods by a large margin. We further evaluate OpenFE in two Kaggle competitions with thousands of data science teams participating. In the two competitions, features generated by OpenFE with a simple baseline model can beat 99.3% and 99.6% data science teams respectively. In addition to the empirical results, we provide a theoretical perspective to show that feature generation can be beneficial in a simple yet representative setting. The code is available at https://github.com/ZhangTP1996/OpenFE.

Ensuring the reliability and safety of automated decision-making is crucial. It is well-known that data distribution shifts in machine learning can produce unreliable outcomes. This paper proposes a new approach for measuring the reliability of predictions under distribution shifts. We analyze how the outputs of a trained neural network change using clustering to measure distances between outputs and class centroids. We propose this distance as a metric to evaluate the confidence of predictions under distribution shifts. We assign each prediction to a cluster with centroid representing the mean softmax output for all correct predictions of a given class. We then define a safety threshold for a class as the smallest distance from an incorrect prediction to the given class centroid. We evaluate the approach on the MNIST and CIFAR-10 datasets using a Convolutional Neural Network and a Vision Transformer, respectively. The results show that our approach is consistent across these data sets and network models, and indicate that the proposed metric can offer an efficient way of determining when automated predictions are acceptable and when they should be deferred to human operators given a distribution shift.

The two fields of urban planning and artificial intelligence (AI) arose and developed separately. However, there is now cross-pollination and increasing interest in both fields to benefit from the advances of the other. In the present paper, we introduce the importance of urban planning from the sustainability, living, economic, disaster, and environmental perspectives. We review the fundamental concepts of urban planning and relate these concepts to crucial open problems of machine learning, including adversarial learning, generative neural networks, deep encoder-decoder networks, conversational AI, and geospatial and temporal machine learning, thereby assaying how AI can contribute to modern urban planning. Thus, a central problem is automated land-use configuration, which is formulated as the generation of land uses and building configuration for a target area from surrounding geospatial, human mobility, social media, environment, and economic activities. Finally, we delineate some implications of AI for urban planning and propose key research areas at the intersection of both topics.

Scaling the distribution of automated vehicles requires handling various unexpected and possibly dangerous situations, termed corner cases (CC). Since many modules of automated driving systems are based on machine learning (ML), CC are an essential part of the data for their development. However, there is only a limited amount of CC data in large-scale data collections, which makes them challenging in the context of ML. With a better understanding of CC, offline applications, e.g., dataset analysis, and online methods, e.g., improved performance of automated driving systems, can be improved. While there are knowledge-based descriptions and taxonomies for CC, there is little research on machine-interpretable descriptions. In this extended abstract, we will give a brief overview of the challenges and goals of such a description.

Linking clinical narratives to standardized vocabularies and coding systems is a key component of unlocking the information in medical text for analysis. However, many domains of medical concepts lack well-developed terminologies that can support effective coding of medical text. We present a framework for developing natural language processing (NLP) technologies for automated coding of under-studied types of medical information, and demonstrate its applicability via a case study on physical mobility function. Mobility is a component of many health measures, from post-acute care and surgical outcomes to chronic frailty and disability, and is coded in the International Classification of Functioning, Disability, and Health (ICF). However, mobility and other types of functional activity remain under-studied in medical informatics, and neither the ICF nor commonly-used medical terminologies capture functional status terminology in practice. We investigated two data-driven paradigms, classification and candidate selection, to link narrative observations of mobility to standardized ICF codes, using a dataset of clinical narratives from physical therapy encounters. Recent advances in language modeling and word embedding were used as features for established machine learning models and a novel deep learning approach, achieving a macro F-1 score of 84% on linking mobility activity reports to ICF codes. Both classification and candidate selection approaches present distinct strengths for automated coding in under-studied domains, and we highlight that the combination of (i) a small annotated data set; (ii) expert definitions of codes of interest; and (iii) a representative text corpus is sufficient to produce high-performing automated coding systems. This study has implications for the ongoing growth of NLP tools for a variety of specialized applications in clinical care and research.

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aids to human scientists, e.g. for brainstorming ideas, writing code, or prediction tasks, they still conduct only a small part of the scientific process. This paper presents the first comprehensive framework for fully automatic scientific discovery, enabling frontier large language models to perform research independently and communicate their findings. We introduce The AI Scientist, which generates novel research ideas, writes code, executes experiments, visualizes results, describes its findings by writing a full scientific paper, and then runs a simulated review process for evaluation. In principle, this process can be repeated to iteratively develop ideas in an open-ended fashion, acting like the human scientific community. We demonstrate its versatility by applying it to three distinct subfields of machine learning: diffusion modeling, transformer-based language modeling, and learning dynamics. Each idea is implemented and developed into a full paper at a cost of less than $15 per paper. To evaluate the generated papers, we design and validate an automated reviewer, which we show achieves near-human performance in evaluating paper scores. The AI Scientist can produce papers that exceed the acceptance threshold at a top machine learning conference as judged by our automated reviewer. This approach signifies the beginning of a new era in scientific discovery in machine learning: bringing the transformative benefits of AI agents to the entire research process of AI itself, and taking us closer to a world where endless affordable creativity and innovation can be unleashed on the world's most challenging problems. Our code is open-sourced at https://github.com/SakanaAI/AI-Scientist

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains limited. Existing frameworks depend on rigid, pre-defined workflows and inflexible coding strategies; consequently, they excel only on relatively simple, classical problems and fail to capture the empirical expertise that human practitioners bring to complex, innovative tasks. In this work, we introduce AutoMind, an adaptive, knowledgeable LLM-agent framework that overcomes these deficiencies through three key advances: (1) a curated expert knowledge base that grounds the agent in domain expert knowledge, (2) an agentic knowledgeable tree search algorithm that strategically explores possible solutions, and (3) a self-adaptive coding strategy that dynamically tailors code generation to task complexity. Evaluations on two automated data science benchmarks demonstrate that AutoMind delivers superior performance versus state-of-the-art baselines. Additional analyses confirm favorable effectiveness, efficiency, and qualitative solution quality, highlighting AutoMind as an efficient and robust step toward fully automated data science.

High-quality datasets are fundamental to training and evaluating machine learning models, yet their creation-especially with accurate human annotations-remains a significant challenge. Many dataset paper submissions lack originality, diversity, or rigorous quality control, and these shortcomings are often overlooked during peer review. Submissions also frequently omit essential details about dataset construction and properties. While existing tools such as datasheets aim to promote transparency, they are largely descriptive and do not provide standardized, measurable methods for evaluating data quality. Similarly, metadata requirements at conferences promote accountability but are inconsistently enforced. To address these limitations, this position paper advocates for the integration of systematic, rubric-based evaluation metrics into the dataset review process-particularly as submission volumes continue to grow. We also explore scalable, cost-effective methods for synthetic data generation, including dedicated tools and LLM-as-a-judge approaches, to support more efficient evaluation. As a call to action, we introduce DataRubrics, a structured framework for assessing the quality of both human- and model-generated datasets. Leveraging recent advances in LLM-based evaluation, DataRubrics offers a reproducible, scalable, and actionable solution for dataset quality assessment, enabling both authors and reviewers to uphold higher standards in data-centric research. We also release code to support reproducibility of LLM-based evaluations at https://github.com/datarubrics/datarubrics.

While Language Models (LMs) have made significant progress in automating machine learning engineering (MLE), the acquisition of high-quality MLE training data is significantly constrained. Current MLE benchmarks suffer from low scalability and limited applicability because they rely on static, manually curated tasks, demanding extensive time and manual effort to produce. We introduce MLE-Smith, a fully automated multi-agent pipeline, to transform raw datasets into competition-style MLE challenges through an efficient generate-verify-execute paradigm for scaling MLE tasks with verifiable quality, real-world usability, and rich diversity. The proposed multi-agent pipeline in MLE-Smith drives structured task design and standardized refactoring, coupled with a hybrid verification mechanism that enforces strict structural rules and high-level semantic soundness. It further validates empirical solvability and real-world fidelity through interactive execution. We apply MLE-Smith to 224 of real-world datasets and generate 606 tasks spanning multiple categories, objectives, and modalities, demonstrating that MLE-Smith can work effectively across a wide range of real-world datasets. Evaluation on the generated tasks shows that the performance of eight mainstream and cutting-edge LLMs on MLE-Smith tasks is strongly correlated with their performance on carefully human-designed tasks, highlighting the effectiveness of the MLE-Smith to scaling up MLE tasks, while maintaining task quality.

Synchronizing production and test code, known as PT co-evolution, is critical for software quality in the software development lifecycle. Existing methods for automatic PT co-evolution either utilize predefined heuristic rules or rely on simple application of machine learning techniques. Due to the limitations of underlying techniques, existing methods either only partially automate PT co-evolution (e.g., only automate obsolete test code identification) or result in low accuracy. In this paper, we propose REACCEPT, a novel approach that leverages large language models and dynamic validation to fully automate PT co-evolution (i.e., capable of both identifying and updating obsolete test cases). REACCEPT relies on experience-based prompt template generation, dynamic validation, and retrieval-augmented generation techniques to accomplish automated PT co-evolution. To evaluate REACCEPT's effectiveness, we extensive experiments with a dataset of 537 Java projects and compared REACCEPT's performance with several state-of-the-art methods. Results show that REACCEPT achieved an update accuracy of 60.16% on correctly identified obsolete test code, surpassing the state-of-the-art technique CEPROT by 90%. This confirms that REACCEPT can effectively assist developers in maintaining test code, improving overall software quality and reducing maintenance effort.

Reducing methane emissions is essential for mitigating global warming. To attribute methane emissions to their sources, a comprehensive dataset of methane source infrastructure is necessary. Recent advancements with deep learning on remotely sensed imagery have the potential to identify the locations and characteristics of methane sources, but there is a substantial lack of publicly available data to enable machine learning researchers and practitioners to build automated mapping approaches. To help fill this gap, we construct a multi-sensor dataset called METER-ML containing 86,599 georeferenced NAIP, Sentinel-1, and Sentinel-2 images in the U.S. labeled for the presence or absence of methane source facilities including concentrated animal feeding operations, coal mines, landfills, natural gas processing plants, oil refineries and petroleum terminals, and wastewater treatment plants. We experiment with a variety of models that leverage different spatial resolutions, spatial footprints, image products, and spectral bands. We find that our best model achieves an area under the precision recall curve of 0.915 for identifying concentrated animal feeding operations and 0.821 for oil refineries and petroleum terminals on an expert-labeled test set, suggesting the potential for large-scale mapping. We make METER-ML freely available at https://stanfordmlgroup.github.io/projects/meter-ml/ to support future work on automated methane source mapping.

Reader reviews of literary fiction on social media, especially those in persistent, dedicated forums, create and are in turn driven by underlying narrative frameworks. In their comments about a novel, readers generally include only a subset of characters and their relationships, thus offering a limited perspective on that work. Yet in aggregate, these reviews capture an underlying narrative framework comprised of different actants (people, places, things), their roles, and interactions that we label the "consensus narrative framework". We represent this framework in the form of an actant-relationship story graph. Extracting this graph is a challenging computational problem, which we pose as a latent graphical model estimation problem. Posts and reviews are viewed as samples of sub graphs/networks of the hidden narrative framework. Inspired by the qualitative narrative theory of Greimas, we formulate a graphical generative Machine Learning (ML) model where nodes represent actants, and multi-edges and self-loops among nodes capture context-specific relationships. We develop a pipeline of interlocking automated methods to extract key actants and their relationships, and apply it to thousands of reviews and comments posted on Goodreads.com. We manually derive the ground truth narrative framework from SparkNotes, and then use word embedding tools to compare relationships in ground truth networks with our extracted networks. We find that our automated methodology generates highly accurate consensus narrative frameworks: for our four target novels, with approximately 2900 reviews per novel, we report average coverage/recall of important relationships of > 80% and an average edge detection rate of >89\%. These extracted narrative frameworks can generate insight into how people (or classes of people) read and how they recount what they have read to others.

Software engineering (SE) activities have been revolutionized by the advent of pre-trained models (PTMs), defined as large machine learning (ML) models that can be fine-tuned to perform specific SE tasks. However, users with limited expertise may need help to select the appropriate model for their current task. To tackle the issue, the Hugging Face (HF) platform simplifies the use of PTMs by collecting, storing, and curating several models. Nevertheless, the platform currently lacks a comprehensive categorization of PTMs designed specifically for SE, i.e., the existing tags are more suited to generic ML categories. This paper introduces an approach to address this gap by enabling the automatic classification of PTMs for SE tasks. First, we utilize a public dump of HF to extract PTMs information, including model documentation and associated tags. Then, we employ a semi-automated method to identify SE tasks and their corresponding PTMs from existing literature. The approach involves creating an initial mapping between HF tags and specific SE tasks, using a similarity-based strategy to identify PTMs with relevant tags. The evaluation shows that model cards are informative enough to classify PTMs considering the pipeline tag. Moreover, we provide a mapping between SE tasks and stored PTMs by relying on model names.

Summaries generated from medical conversations can improve recall and understanding of care plans for patients and reduce documentation burden for doctors. Recent advancements in automatic speech recognition (ASR) and natural language understanding (NLU) offer potential solutions to generate these summaries automatically, but rigorous quantitative baselines for benchmarking research in this domain are lacking. In this paper, we bridge this gap for two tasks: classifying utterances from medical conversations according to (i) the SOAP section and (ii) the speaker role. Both are fundamental building blocks along the path towards an end-to-end, automated SOAP note for medical conversations. We provide details on a dataset that contains human and ASR transcriptions of medical conversations and corresponding machine learning optimized SOAP notes. We then present a systematic analysis in which we adapt an existing deep learning architecture to the two aforementioned tasks. The results suggest that modelling context in a hierarchical manner, which captures both word and utterance level context, yields substantial improvements on both classification tasks. Additionally, we develop and analyze a modular method for adapting our model to ASR output.

Systematic literature reviews (SLRs) play an essential role in summarising, synthesising and validating scientific evidence. In recent years, there has been a growing interest in using machine learning techniques to automate the identification of relevant studies for SLRs. However, the lack of standardised evaluation datasets makes comparing the performance of such automated literature screening systems difficult. In this paper, we analyse the citation screening evaluation datasets, revealing that many of the available datasets are either too small, suffer from data leakage or have limited applicability to systems treating automated literature screening as a classification task, as opposed to, for example, a retrieval or question-answering task. To address these challenges, we introduce CSMeD, a meta-dataset consolidating nine publicly released collections, providing unified access to 325 SLRs from the fields of medicine and computer science. CSMeD serves as a comprehensive resource for training and evaluating the performance of automated citation screening models. Additionally, we introduce CSMeD-FT, a new dataset designed explicitly for evaluating the full text publication screening task. To demonstrate the utility of CSMeD, we conduct experiments and establish baselines on new datasets.

Privacy policies serve as the primary conduit through which online service providers inform users about their data collection and usage procedures. However, in a bid to be comprehensive and mitigate legal risks, these policy documents are often quite verbose. In practical use, users tend to click the Agree button directly rather than reading them carefully. This practice exposes users to risks of privacy leakage and legal issues. Recently, the advent of Large Language Models (LLM) such as ChatGPT and GPT-4 has opened new possibilities for text analysis, especially for lengthy documents like privacy policies. In this study, we investigate a privacy policy text analysis framework PolicyGPT based on the LLM. This framework was tested using two datasets. The first dataset comprises of privacy policies from 115 websites, which were meticulously annotated by legal experts, categorizing each segment into one of 10 classes. The second dataset consists of privacy policies from 304 popular mobile applications, with each sentence manually annotated and classified into one of another 10 categories. Under zero-shot learning conditions, PolicyGPT demonstrated robust performance. For the first dataset, it achieved an accuracy rate of 97%, while for the second dataset, it attained an 87% accuracy rate, surpassing that of the baseline machine learning and neural network models.

The automation of scientific discovery has been a long-standing goal within the research community, driven by the potential to accelerate knowledge creation. While significant progress has been made using commercial large language models (LLMs) as research assistants or idea generators, the possibility of automating the entire research process with open-source LLMs remains largely unexplored. This paper explores the feasibility of using open-source post-trained LLMs as autonomous agents capable of performing the full cycle of automated research and review, from literature review and manuscript preparation to peer review and paper revision. Our iterative preference training framework consists of CycleResearcher, which conducts research tasks, and CycleReviewer, which simulates the peer review process, providing iterative feedback via reinforcement learning. To train these models, we develop two new datasets, Review-5k and Research-14k, reflecting real-world machine learning research and peer review dynamics. Our results demonstrate that CycleReviewer achieves a 26.89\% improvement in mean absolute error (MAE) over individual human reviewers in predicting paper scores, indicating that LLMs can surpass expert-level performance in research evaluation. In research, the papers generated by the CycleResearcher model achieved a score of 5.36 in simulated peer reviews, surpassing the preprint level of 5.24 from human experts and approaching the accepted paper level of 5.69. This work represents a significant step toward fully automated scientific inquiry, providing ethical safeguards and advancing AI-driven research capabilities. The code, dataset and model weight are released at http://github/minjun-zhu/Researcher.

Nailfold capillaroscopy is a well-established method for assessing health conditions, but the untapped potential of automated medical image analysis using machine learning remains despite recent advancements. In this groundbreaking study, we present a pioneering effort in constructing a comprehensive dataset-321 images, 219 videos, 68 clinic reports, with expert annotations-that serves as a crucial resource for training deep-learning models. Leveraging this dataset, we propose an end-to-end nailfold capillary analysis pipeline capable of automatically detecting and measuring diverse morphological and dynamic features. Experimental results demonstrate sub-pixel measurement accuracy and 90% accuracy in predicting abnormality portions, highlighting its potential for advancing quantitative medical research and enabling pervasive computing in healthcare. We've shared our open-source codes and data (available at https://github.com/THU-CS-PI-LAB/ANFC-Automated-Nailfold-Capillary) to contribute to transformative progress in computational medical image analysis.

Speech patterns have been identified as potential diagnostic markers for neuropsychiatric conditions. However, most studies only compare a single clinical group to healthy controls, whereas clinical practice often requires differentiating between multiple potential diagnoses (multiclass settings). To address this, we assembled a dataset of repeated recordings from 420 participants (67 with major depressive disorder, 106 with schizophrenia and 46 with autism, as well as matched controls), and tested the performance of a range of conventional machine learning models and advanced Transformer models on both binary and multiclass classification, based on voice and text features. While binary models performed comparably to previous research (F1 scores between 0.54-0.75 for autism spectrum disorder, ASD; 0.67-0.92 for major depressive disorder, MDD; and 0.71-0.83 for schizophrenia); when differentiating between multiple diagnostic groups performance decreased markedly (F1 scores between 0.35-0.44 for ASD, 0.57-0.75 for MDD, 0.15-0.66 for schizophrenia, and 0.38-0.52 macro F1). Combining voice and text-based models yielded increased performance, suggesting that they capture complementary diagnostic information. Our results indicate that models trained on binary classification may learn to rely on markers of generic differences between clinical and non-clinical populations, or markers of clinical features that overlap across conditions, rather than identifying markers specific to individual conditions. We provide recommendations for future research in the field, suggesting increased focus on developing larger transdiagnostic datasets that include more fine-grained clinical features, and that can support the development of models that better capture the complexity of neuropsychiatric conditions and naturalistic diagnostic assessment.

Many computer scientists use the aggregated answers of online workers to represent ground truth. Prior work has shown that aggregation methods such as majority voting are effective for measuring relatively objective features. For subjective features such as semantic connotation, online workers, known for optimizing their hourly earnings, tend to deteriorate in the quality of their responses as they work longer. In this paper, we aim to address this issue by proposing a quality-aware semantic data annotation system. We observe that with timely feedback on workers' performance quantified by quality scores, better informed online workers can maintain the quality of their labeling throughout an extended period of time. We validate the effectiveness of the proposed annotation system through i) evaluating performance based on an expert-labeled dataset, and ii) demonstrating machine learning tasks that can lead to consistent learning behavior with 70%-80% accuracy. Our results suggest that with our system, researchers can collect high-quality answers of subjective semantic features at a large scale.

Logs are imperative in the development and maintenance process of many software systems. They record detailed runtime information that allows developers and support engineers to monitor their systems and dissect anomalous behaviors and errors. The increasing scale and complexity of modern software systems, however, make the volume of logs explodes. In many cases, the traditional way of manual log inspection becomes impractical. Many recent studies, as well as industrial tools, resort to powerful text search and machine learning-based analytics solutions. Due to the unstructured nature of logs, a first crucial step is to parse log messages into structured data for subsequent analysis. In recent years, automated log parsing has been widely studied in both academia and industry, producing a series of log parsers by different techniques. To better understand the characteristics of these log parsers, in this paper, we present a comprehensive evaluation study on automated log parsing and further release the tools and benchmarks for easy reuse. More specifically, we evaluate 13 log parsers on a total of 16 log datasets spanning distributed systems, supercomputers, operating systems, mobile systems, server applications, and standalone software. We report the benchmarking results in terms of accuracy, robustness, and efficiency, which are of practical importance when deploying automated log parsing in production. We also share the success stories and lessons learned in an industrial application at Huawei. We believe that our work could serve as the basis and provide valuable guidance to future research and deployment of automated log parsing.

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

AI is increasingly playing a pivotal role in transforming how scientific discoveries are made. We introduce The AI Scientist-v2, an end-to-end agentic system capable of producing the first entirely AI generated peer-review-accepted workshop paper. This system iteratively formulates scientific hypotheses, designs and executes experiments, analyzes and visualizes data, and autonomously authors scientific manuscripts. Compared to its predecessor (v1, Lu et al., 2024 arXiv:2408.06292), The AI Scientist-v2 eliminates the reliance on human-authored code templates, generalizes effectively across diverse machine learning domains, and leverages a novel progressive agentic tree-search methodology managed by a dedicated experiment manager agent. Additionally, we enhance the AI reviewer component by integrating a Vision-Language Model (VLM) feedback loop for iterative refinement of content and aesthetics of the figures. We evaluated The AI Scientist-v2 by submitting three fully autonomous manuscripts to a peer-reviewed ICLR workshop. Notably, one manuscript achieved high enough scores to exceed the average human acceptance threshold, marking the first instance of a fully AI-generated paper successfully navigating a peer review. This accomplishment highlights the growing capability of AI in conducting all aspects of scientific research. We anticipate that further advancements in autonomous scientific discovery technologies will profoundly impact human knowledge generation, enabling unprecedented scalability in research productivity and significantly accelerating scientific breakthroughs, greatly benefiting society at large. We have open-sourced the code at https://github.com/SakanaAI/AI-Scientist-v2 to foster the future development of this transformative technology. We also discuss the role of AI in science, including AI safety.

Codification of free-text clinical narratives have long been recognised to be beneficial for secondary uses such as funding, insurance claim processing and research. The current scenario of assigning codes is a manual process which is very expensive, time-consuming and error prone. In recent years, many researchers have studied the use of Natural Language Processing (NLP), related Machine Learning (ML) and Deep Learning (DL) methods and techniques to resolve the problem of manual coding of clinical narratives and to assist human coders to assign clinical codes more accurately and efficiently. This systematic literature review provides a comprehensive overview of automated clinical coding systems that utilises appropriate NLP, ML and DL methods and techniques to assign ICD codes to discharge summaries. We have followed the Preferred Reporting Items for Systematic Reviews and Meta-Analyses(PRISMA) guidelines and conducted a comprehensive search of publications from January, 2010 to December 2020 in four academic databases- PubMed, ScienceDirect, Association for Computing Machinery(ACM) Digital Library, and the Association for Computational Linguistics(ACL) Anthology. We reviewed 7,556 publications; 38 met the inclusion criteria. This review identified: datasets having discharge summaries; NLP techniques along with some other data extraction processes, different feature extraction and embedding techniques. To measure the performance of classification methods, different evaluation metrics are used. Lastly, future research directions are provided to scholars who are interested in automated ICD code assignment. Efforts are still required to improve ICD code prediction accuracy, availability of large-scale de-identified clinical corpora with the latest version of the classification system. This can be a platform to guide and share knowledge with the less experienced coders and researchers.

In recent times, there is an increased interest in the identification and re-identification of people at long distances, such as from rooftop cameras, UAV cameras, street cams, and others. Such recognition needs to go beyond face and use whole-body markers such as gait. However, datasets to train and test such recognition algorithms are not widely prevalent, and fewer are labeled. This paper introduces DIOR -- a framework for data collection, semi-automated annotation, and also provides a dataset with 14 subjects and 1.649 million RGB frames with 3D/2D skeleton gait labels, including 200 thousands frames from a long range camera. Our approach leverages advanced 3D computer vision techniques to attain pixel-level accuracy in indoor settings with motion capture systems. Additionally, for outdoor long-range settings, we remove the dependency on motion capture systems and adopt a low-cost, hybrid 3D computer vision and learning pipeline with only 4 low-cost RGB cameras, successfully achieving precise skeleton labeling on far-away subjects, even when their height is limited to a mere 20-25 pixels within an RGB frame. On publication, we will make our pipeline open for others to use.

Closed large language models (LLMs) such as GPT-4 have set state-of-the-art results across a number of NLP tasks and have become central to NLP and machine learning (ML)-driven solutions. Closed LLMs' performance and wide adoption has sparked considerable debate about their accessibility in terms of availability, cost, and transparency. In this study, we perform a rigorous comparative analysis of nine leading LLMs, spanning closed, open, and open-source LLM ecosystems, across text assessment and generation tasks related to automated essay scoring. Our findings reveal that for few-shot learning-based assessment of human generated essays, open LLMs such as Llama 3 and Qwen2.5 perform comparably to GPT-4 in terms of predictive performance, with no significant differences in disparate impact scores when considering age- or race-related fairness. Moreover, Llama 3 offers a substantial cost advantage, being up to 37 times more cost-efficient than GPT-4. For generative tasks, we find that essays generated by top open LLMs are comparable to closed LLMs in terms of their semantic composition/embeddings and ML assessed scores. Our findings challenge the dominance of closed LLMs and highlight the democratizing potential of open LLMs, suggesting they can effectively bridge accessibility divides while maintaining competitive performance and fairness.