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Jul 23

AlphaEval: A Comprehensive and Efficient Evaluation Framework for Formula Alpha Mining

Formula alpha mining, which generates predictive signals from financial data, is critical for quantitative investment. Although various algorithmic approaches-such as genetic programming, reinforcement learning, and large language models-have significantly expanded the capacity for alpha discovery, systematic evaluation remains a key challenge. Existing evaluation metrics predominantly include backtesting and correlation-based measures. Backtesting is computationally intensive, inherently sequential, and sensitive to specific strategy parameters. Correlation-based metrics, though efficient, assess only predictive ability and overlook other crucial properties such as temporal stability, robustness, diversity, and interpretability. Additionally, the closed-source nature of most existing alpha mining models hinders reproducibility and slows progress in this field. To address these issues, we propose AlphaEval, a unified, parallelizable, and backtest-free evaluation framework for automated alpha mining models. AlphaEval assesses the overall quality of generated alphas along five complementary dimensions: predictive power, stability, robustness to market perturbations, financial logic, and diversity. Extensive experiments across representative alpha mining algorithms demonstrate that AlphaEval achieves evaluation consistency comparable to comprehensive backtesting, while providing more comprehensive insights and higher efficiency. Furthermore, AlphaEval effectively identifies superior alphas compared to traditional single-metric screening approaches. All implementations and evaluation tools are open-sourced to promote reproducibility and community engagement.

  • 9 authors
·
Aug 10, 2025

EasyNER: A Customizable Easy-to-Use Pipeline for Deep Learning- and Dictionary-based Named Entity Recognition from Medical Text

Medical research generates a large number of publications with the PubMed database already containing >35 million research articles. Integration of the knowledge scattered across this large body of literature could provide key insights into physiological mechanisms and disease processes leading to novel medical interventions. However, it is a great challenge for researchers to utilize this information in full since the scale and complexity of the data greatly surpasses human processing abilities. This becomes especially problematic in cases of extreme urgency like the COVID-19 pandemic. Automated text mining can help extract and connect information from the large body of medical research articles. The first step in text mining is typically the identification of specific classes of keywords (e.g., all protein or disease names), so called Named Entity Recognition (NER). Here we present an end-to-end pipeline for NER of typical entities found in medical research articles, including diseases, cells, chemicals, genes/proteins, and species. The pipeline can access and process large medical research article collections (PubMed, CORD-19) or raw text and incorporates a series of deep learning models fine-tuned on the HUNER corpora collection. In addition, the pipeline can perform dictionary-based NER related to COVID-19 and other medical topics. Users can also load their own NER models and dictionaries to include additional entities. The output consists of publication-ready ranked lists and graphs of detected entities and files containing the annotated texts. An associated script allows rapid inspection of the results for specific entities of interest. As model use cases, the pipeline was deployed on two collections of autophagy-related abstracts from PubMed and on the CORD19 dataset, a collection of 764 398 research article abstracts related to COVID-19.

  • 11 authors
·
Apr 16, 2023

REVEAL: Multi-turn Evaluation of Image-Input Harms for Vision LLM

Vision Large Language Models (VLLMs) represent a significant advancement in artificial intelligence by integrating image-processing capabilities with textual understanding, thereby enhancing user interactions and expanding application domains. However, their increased complexity introduces novel safety and ethical challenges, particularly in multi-modal and multi-turn conversations. Traditional safety evaluation frameworks, designed for text-based, single-turn interactions, are inadequate for addressing these complexities. To bridge this gap, we introduce the REVEAL (Responsible Evaluation of Vision-Enabled AI LLMs) Framework, a scalable and automated pipeline for evaluating image-input harms in VLLMs. REVEAL includes automated image mining, synthetic adversarial data generation, multi-turn conversational expansion using crescendo attack strategies, and comprehensive harm assessment through evaluators like GPT-4o. We extensively evaluated five state-of-the-art VLLMs, GPT-4o, Llama-3.2, Qwen2-VL, Phi3.5V, and Pixtral, across three important harm categories: sexual harm, violence, and misinformation. Our findings reveal that multi-turn interactions result in significantly higher defect rates compared to single-turn evaluations, highlighting deeper vulnerabilities in VLLMs. Notably, GPT-4o demonstrated the most balanced performance as measured by our Safety-Usability Index (SUI) followed closely by Pixtral. Additionally, misinformation emerged as a critical area requiring enhanced contextual defenses. Llama-3.2 exhibited the highest MT defect rate (16.55 %) while Qwen2-VL showed the highest MT refusal rate (19.1 %).

  • 2 authors
·
May 6, 2025

Neural Natural Language Processing for Long Texts: A Survey of the State-of-the-Art

The adoption of Deep Neural Networks (DNNs) has greatly benefited Natural Language Processing (NLP) during the past decade. However, the demands of long document analysis are quite different from those of shorter texts, while the ever increasing size of documents uploaded on-line renders automated understanding of lengthy texts a critical issue. Relevant applications include automated Web mining, legal document review, medical records analysis, financial reports analysis, contract management, environmental impact assessment, news aggregation, etc. Despite the relatively recent development of efficient algorithms for analyzing long documents, practical tools in this field are currently flourishing. This article serves as an entry point into this dynamic domain and aims to achieve two objectives. Firstly, it provides an overview of the relevant neural building blocks, serving as a concise tutorial for the field. Secondly, it offers a brief examination of the current state-of-the-art in long document NLP, with a primary focus on two key tasks: document classification and document summarization. Sentiment analysis for long texts is also covered, since it is typically treated as a particular case of document classification. Consequently, this article presents an introductory exploration of document-level analysis, addressing the primary challenges, concerns, and existing solutions. Finally, the article presents publicly available annotated datasets that can facilitate further research in this area.

  • 4 authors
·
May 25, 2023

WebFAQ: A Multilingual Collection of Natural Q&A Datasets for Dense Retrieval

We present WebFAQ, a large-scale collection of open-domain question answering datasets derived from FAQ-style schema.org annotations. In total, the data collection consists of 96 million natural question-answer (QA) pairs across 75 languages, including 47 million (49%) non-English samples. WebFAQ further serves as the foundation for 20 monolingual retrieval benchmarks with a total size of 11.2 million QA pairs (5.9 million non-English). These datasets are carefully curated through refined filtering and near-duplicate detection, yielding high-quality resources for training and evaluating multilingual dense retrieval models. To empirically confirm WebFAQ's efficacy, we use the collected QAs to fine-tune an in-domain pretrained XLM-RoBERTa model. Through this process of dataset-specific fine-tuning, the model achieves significant retrieval performance gains, which generalize - beyond WebFAQ - to other multilingual retrieval benchmarks evaluated in zero-shot setting. Last but not least, we utilize WebFAQ to construct a set of QA-aligned bilingual corpora spanning over 1000 language pairs using state-of-the-art bitext mining and automated LLM-assessed translation evaluation. Due to our advanced, automated method of bitext dataset generation, the resulting bilingual corpora demonstrate higher translation quality compared to similar datasets. WebFAQ and all associated resources are publicly available on GitHub and HuggingFace.

  • 5 authors
·
Feb 28, 2025

Mining Subscenario Refactoring Opportunities in Behaviour-Driven Software Test Suites: ML Classifiers and LLM-Judge Baselines

Context. Behaviour-Driven Development (BDD) software test suites accumulate duplicated step subsequences. Three published refactoring patterns are available (within-file Background, within-repo reusable-scenario invocation, cross-organisational shared higher-level step), but no prior work automates which recurring subsequences are worth extracting or which mechanism applies. Objective. Rank recurring step subsequences ("slices") by refactoring suitability (extraction-worthy), pre-map each to one of the three patterns, and quantify prevalence across the public BDD ecosystem. Method. Every contiguous L-step window (L in [2, 18]) in a 339-repository / 276-upstream-owner Gherkin corpus is keyed by paraphrase-robust cluster identifiers and counted under three scopes. Sentence-BERT (SBERT) / Uniform Manifold Approximation and Projection (UMAP) / Hierarchical Density-Based Clustering (HDBSCAN) recovers paraphrase-equivalent slices. Three authors label a stratified 200-slice pool against a written rubric. An eXtreme Gradient Boosting (XGBoost) extraction-worthy classifier trained under 5-fold cross-validation is compared with a tuned rule baseline and two open-weight Large Language Model (LLM) judges. Results. The miner produces 5,382,249 slices collapsing to 692,020 recurring patterns. Three-author Fleiss' kappa = 0.56 (extraction-worthy) and 0.79 (mechanism). The classifier reaches out-of-fold F1 = 0.891 (95% CI [0.852, 0.927]), outperforming both the rule baseline (F1 = 0.836, p = 0.017) and the better LLM judge (F1 = 0.728, p < 1e-4). 75.0%, 59.5%, and 11.7% of scenarios carry a within-file Background, within-repo reusable-scenario, or cross-organisational shared-step candidate. Conclusion. Paraphrase-robust subscenario discovery yields a corpus-wide census of BDD refactoring opportunities; pipeline, classifier predictions, labelled pool, and rubric are released under Apache-2.0.

  • 3 authors
·
May 13 1

Mining Legal Arguments to Study Judicial Formalism

Courts must justify their decisions, but systematically analyzing judicial reasoning at scale remains difficult. This study tests claims about formalistic judging in Central and Eastern Europe (CEE) by developing automated methods to detect and classify judicial reasoning in decisions of Czech Supreme Courts using state-of-the-art natural language processing methods. We create the MADON dataset of 272 decisions from two Czech Supreme Courts with expert annotations of 9,183 paragraphs with eight argument types and holistic formalism labels for supervised training and evaluation. Using a corpus of 300,511 Czech court decisions, we adapt transformer LLMs to Czech legal domain through continued pretraining and we experiment with methods to address dataset imbalance including asymmetric loss and class weighting. The best models can detect argumentative paragraphs (82.6% Bal-F1), classify traditional types of legal argument (77.5% Bal-F1), and classify decisions as formalistic/non-formalistic (83.8% Bal-F1). Our three-stage pipeline combining ModernBERT, Llama 3.1, and traditional feature-based machine learning achieves promising results for decision classification while reducing computational costs and increasing explainability. Empirically, we challenge prevailing narratives about CEE formalism. We demonstrate that legal argument mining enables promising judicial philosophy classification and highlight its potential for other important tasks in computational legal studies. Our methodology can be used across jurisdictions, and our entire pipeline, datasets, guidelines, models, and source codes are available at https://github.com/trusthlt/madon.

  • 6 authors
·
Dec 12, 2025

NoHumansRequired: Autonomous High-Quality Image Editing Triplet Mining

Recent advances in generative modeling enable image editing assistants that follow natural language instructions without additional user input. Their supervised training requires millions of triplets: original image, instruction, edited image. Yet mining pixel-accurate examples is hard. Each edit must affect only prompt-specified regions, preserve stylistic coherence, respect physical plausibility, and retain visual appeal. The lack of robust automated edit-quality metrics hinders reliable automation at scale. We present an automated, modular pipeline that mines high-fidelity triplets across domains, resolutions, instruction complexities, and styles. Built on public generative models and running without human intervention, our system uses a task-tuned Gemini validator to score instruction adherence and aesthetics directly, removing any need for segmentation or grounding models. Inversion and compositional bootstrapping enlarge the mined set by approximately 2.2x, enabling large-scale high-fidelity training data. By automating the most repetitive annotation steps, the approach allows a new scale of training without human labeling effort. To democratize research in this resource-intensive area, we release NHR-Edit: an open dataset of 358k high-quality triplets. In the largest cross-dataset evaluation, it surpasses all public alternatives. We also release Bagel-NHR-Edit, an open-source fine-tuned Bagel model, which achieves state-of-the-art metrics in our experiments.

  • 7 authors
·
Jul 18, 2025 1

SynDARin: Synthesising Datasets for Automated Reasoning in Low-Resource Languages

Question Answering (QA) datasets have been instrumental in developing and evaluating Large Language Model (LLM) capabilities. However, such datasets are scarce for languages other than English due to the cost and difficulties of collection and manual annotation. This means that producing novel models and measuring the performance of multilingual LLMs in low-resource languages is challenging. To mitigate this, we propose SynDARin, a method for generating and validating QA datasets for low-resource languages. We utilize parallel content mining to obtain human-curated paragraphs between English and the target language. We use the English data as context to generate synthetic multiple-choice (MC) question-answer pairs, which are automatically translated and further validated for quality. Combining these with their designated non-English human-curated paragraphs form the final QA dataset. The method allows to maintain the content quality, reduces the likelihood of factual errors, and circumvents the need for costly annotation. To test the method, we created a QA dataset with 1.2K samples for the Armenian language. The human evaluation shows that 98% of the generated English data maintains quality and diversity in the question types and topics, while the translation validation pipeline can filter out sim70% of data with poor quality. We use the dataset to benchmark state-of-the-art LLMs, showing their inability to achieve human accuracy with some model performances closer to random chance. This shows that the generated dataset is non-trivial and can be used to evaluate reasoning capabilities in low-resource language.

  • 4 authors
·
Jun 20, 2024

ArkEval: Benchmarking and Evaluating Automated CodeRepair for ArkTS

Large language models have transformed code generation, enabling unprecedented automation in software development. As mobile ecosystems evolve, HarmonyOS has emerged as a critical platform requiring robust development tools. Software development for the HarmonyOS ecosystem relies heavily on ArkTS, a statically typed extension of TypeScript. Despite its growing importance, the ecosystem lacks robust tools for automated code repair, primarily due to the absence of a high-quality benchmark for evaluation. To address this gap, we present ArkEval, a unified framework for ArkTS automated repair workflow evaluation and benchmark construction. It provides the first comprehensive benchmark specifically designed for ArkTS automated program repair. We constructed this benchmark by mining issues from a large-scale official Huawei repository containing over 400 independent ArkTS applications. Through a rigorous multi-stage filtering process, we curated 502 reproducible issues. To ensure testability, we employed a novel LLM-based test generation and voting mechanism involving Claude and other models. Furthermore, we standardized problem statements to facilitate fair evaluation. Finally, we evaluated four state-of-the-art Large Language Models (LLMs) on our benchmark using a retrieval-augmented repair workflow. Our results highlight the current capabilities and limitations of LLMs in repairing ArkTS code, paving the way for future research in this low-resource language domain.

  • 6 authors
·
Feb 8

AutoOD: Automated Outlier Detection via Curiosity-guided Search and Self-imitation Learning

Outlier detection is an important data mining task with numerous practical applications such as intrusion detection, credit card fraud detection, and video surveillance. However, given a specific complicated task with big data, the process of building a powerful deep learning based system for outlier detection still highly relies on human expertise and laboring trials. Although Neural Architecture Search (NAS) has shown its promise in discovering effective deep architectures in various domains, such as image classification, object detection, and semantic segmentation, contemporary NAS methods are not suitable for outlier detection due to the lack of intrinsic search space, unstable search process, and low sample efficiency. To bridge the gap, in this paper, we propose AutoOD, an automated outlier detection framework, which aims to search for an optimal neural network model within a predefined search space. Specifically, we firstly design a curiosity-guided search strategy to overcome the curse of local optimality. A controller, which acts as a search agent, is encouraged to take actions to maximize the information gain about the controller's internal belief. We further introduce an experience replay mechanism based on self-imitation learning to improve the sample efficiency. Experimental results on various real-world benchmark datasets demonstrate that the deep model identified by AutoOD achieves the best performance, comparing with existing handcrafted models and traditional search methods.

  • 7 authors
·
Jun 19, 2020

Automated Feedback in Math Education: A Comparative Analysis of LLMs for Open-Ended Responses

The effectiveness of feedback in enhancing learning outcomes is well documented within Educational Data Mining (EDM). Various prior research has explored methodologies to enhance the effectiveness of feedback. Recent developments in Large Language Models (LLMs) have extended their utility in enhancing automated feedback systems. This study aims to explore the potential of LLMs in facilitating automated feedback in math education. We examine the effectiveness of LLMs in evaluating student responses by comparing 3 different models: Llama, SBERT-Canberra, and GPT4 model. The evaluation requires the model to provide both a quantitative score and qualitative feedback on the student's responses to open-ended math problems. We employ Mistral, a version of Llama catered to math, and fine-tune this model for evaluating student responses by leveraging a dataset of student responses and teacher-written feedback for middle-school math problems. A similar approach was taken for training the SBERT model as well, while the GPT4 model used a zero-shot learning approach. We evaluate the model's performance in scoring accuracy and the quality of feedback by utilizing judgments from 2 teachers. The teachers utilized a shared rubric in assessing the accuracy and relevance of the generated feedback. We conduct both quantitative and qualitative analyses of the model performance. By offering a detailed comparison of these methods, this study aims to further the ongoing development of automated feedback systems and outlines potential future directions for leveraging generative LLMs to create more personalized learning experiences.

  • 7 authors
·
Oct 29, 2024

How2Everything: Mining the Web for How-To Procedures to Evaluate and Improve LLMs

Generating step-by-step "how-to" procedures is a key LLM capability: how-to advice is commonly requested in chatbots, and step-by-step planning is critical for reasoning over complex tasks. Yet, measuring and improving procedural validity at scale on real-world tasks remains challenging and understudied. To address this, we introduce How2Everything, a scalable framework to evaluate and improve goal-conditioned procedure generation. Our framework includes How2Mine, which mines 351K procedures from 980K web pages across 14 topics and readily scales to larger corpora. From this pool we build How2Bench, a 7K-example evaluation set balanced across topics. To reliably score model outputs, we develop How2Score, an evaluation protocol that uses an LLM judge to detect whether a generation contains any critical failure that would prevent achieving the goal. For low-cost, reproducible evaluation, we distill a frontier model into an open 8B model, achieving 80.5% agreement with human annotators. How2Bench reveals clear scaling trends across model sizes and training stages, providing signal early in pretraining. Finally, RL using How2Score as a reward improves performance on How2Bench by >10 points across three models without systematic regressions on standard benchmarks, with gains robust to superficial source-document memorization or format compliance. Taken together, How2Everything shows how pretraining web data can support a closed loop of capability evaluation and improvement at scale.

allenai Ai2
·
Feb 9 2

Cognitive Alpha Mining via LLM-Driven Code-Based Evolution

Discovering effective predictive signals, or ``alphas,'' from financial data with high dimensionality and extremely low signal-to-noise ratio remains a difficult open problem. Despite progress in deep learning, genetic programming, and, more recently, large language model (LLM)--based factor generation, existing approaches still explore only a narrow region of the vast alpha search space. Neural models tend to produce opaque and fragile patterns, while symbolic or formula-based methods often yield redundant or economically ungrounded expressions that generalize poorly. Although different in form, these paradigms share a key limitation: none can conduct broad, structured, and human-like exploration that balances logical consistency with creative leaps. To address this gap, we introduce the Cognitive Alpha Mining Framework (CogAlpha), which combines code-level alpha representation with LLM-driven reasoning and evolutionary search. Treating LLMs as adaptive cognitive agents, our framework iteratively refines, mutates, and recombines alpha candidates through multi-stage prompts and financial feedback. This synergistic design enables deeper thinking, richer structural diversity, and economically interpretable alpha discovery, while greatly expanding the effective search space. Experiments on A-share equities demonstrate that CogAlpha consistently discovers alphas with superior predictive accuracy, robustness, and generalization over existing methods. Our results highlight the promise of aligning evolutionary optimization with LLM-based reasoning for automated and explainable alpha discovery. All source code will be released.

  • 9 authors
·
Nov 24, 2025

Navigating the Alpha Jungle: An LLM-Powered MCTS Framework for Formulaic Factor Mining

Alpha factor mining is pivotal in quantitative investment for identifying predictive signals from complex financial data. While traditional formulaic alpha mining relies on human expertise, contemporary automated methods, such as those based on genetic programming or reinforcement learning, often struggle with search inefficiency or yield alpha factors that are difficult to interpret. This paper introduces a novel framework that integrates Large Language Models (LLMs) with Monte Carlo Tree Search (MCTS) to overcome these limitations. Our framework leverages the LLM's instruction-following and reasoning capability to iteratively generate and refine symbolic alpha formulas within an MCTS-driven exploration. A key innovation is the guidance of MCTS exploration by rich, quantitative feedback from financial backtesting of each candidate factor, enabling efficient navigation of the vast search space. Furthermore, a frequent subtree avoidance mechanism is introduced to enhance search diversity and prevent formulaic homogenization, further improving performance. Experimental results on real-world stock market data demonstrate that our LLM-based framework outperforms existing methods by mining alphas with superior predictive accuracy and trading performance. The resulting formulas are also more amenable to human interpretation, establishing a more effective and efficient paradigm for formulaic alpha mining.

  • 3 authors
·
May 16, 2025

FALCON: Autonomous Cyber Threat Intelligence Mining with LLMs for IDS Rule Generation

Signature-based Intrusion Detection Systems (IDS) detect malicious activities by matching network or host activity against predefined rules. These rules are derived from extensive Cyber Threat Intelligence (CTI), which includes attack signatures and behavioral patterns obtained through automated tools and manual threat analysis, such as sandboxing. The CTI is then transformed into actionable rules for the IDS engine, enabling real-time detection and prevention. However, the constant evolution of cyber threats necessitates frequent rule updates, which delay deployment time and weaken overall security readiness. Recent advancements in agentic systems powered by Large Language Models (LLMs) offer the potential for autonomous IDS rule generation with internal evaluation. We introduce FALCON, an autonomous agentic framework that generates deployable IDS rules from CTI data in real-time and evaluates them using built-in multi-phased validators. To demonstrate versatility, we target both network (Snort) and host-based (YARA) mediums and construct a comprehensive dataset of IDS rules with their corresponding CTIs. Our evaluations indicate FALCON excels in automatic rule generation, with an average of 95% accuracy validated by qualitative evaluation with 84% inter-rater agreement among multiple cybersecurity analysts across all metrics. These results underscore the feasibility and effectiveness of LLM-driven data mining for real-time cyber threat mitigation.

  • 8 authors
·
Aug 25, 2025

BioRED: A Rich Biomedical Relation Extraction Dataset

Automated relation extraction (RE) from biomedical literature is critical for many downstream text mining applications in both research and real-world settings. However, most existing benchmarking datasets for bio-medical RE only focus on relations of a single type (e.g., protein-protein interactions) at the sentence level, greatly limiting the development of RE systems in biomedicine. In this work, we first review commonly used named entity recognition (NER) and RE datasets. Then we present BioRED, a first-of-its-kind biomedical RE corpus with multiple entity types (e.g., gene/protein, disease, chemical) and relation pairs (e.g., gene-disease; chemical-chemical) at the document level, on a set of 600 PubMed abstracts. Further, we label each relation as describing either a novel finding or previously known background knowledge, enabling automated algorithms to differentiate between novel and background information. We assess the utility of BioRED by benchmarking several existing state-of-the-art methods, including BERT-based models, on the NER and RE tasks. Our results show that while existing approaches can reach high performance on the NER task (F-score of 89.3%), there is much room for improvement for the RE task, especially when extracting novel relations (F-score of 47.7%). Our experiments also demonstrate that such a rich dataset can successfully facilitate the development of more accurate, efficient, and robust RE systems for biomedicine. The BioRED dataset and annotation guideline are freely available at https://ftp.ncbi.nlm.nih.gov/pub/lu/BioRED/.

  • 5 authors
·
Apr 8, 2022

Improving Clinical Document Understanding on COVID-19 Research with Spark NLP

Following the global COVID-19 pandemic, the number of scientific papers studying the virus has grown massively, leading to increased interest in automated literate review. We present a clinical text mining system that improves on previous efforts in three ways. First, it can recognize over 100 different entity types including social determinants of health, anatomy, risk factors, and adverse events in addition to other commonly used clinical and biomedical entities. Second, the text processing pipeline includes assertion status detection, to distinguish between clinical facts that are present, absent, conditional, or about someone other than the patient. Third, the deep learning models used are more accurate than previously available, leveraging an integrated pipeline of state-of-the-art pretrained named entity recognition models, and improving on the previous best performing benchmarks for assertion status detection. We illustrate extracting trends and insights, e.g. most frequent disorders and symptoms, and most common vital signs and EKG findings, from the COVID-19 Open Research Dataset (CORD-19). The system is built using the Spark NLP library which natively supports scaling to use distributed clusters, leveraging GPUs, configurable and reusable NLP pipelines, healthcare specific embeddings, and the ability to train models to support new entity types or human languages with no code changes.

  • 2 authors
·
Dec 6, 2020

PRISM: A Multi-Dimensional Benchmark for Evaluating LLM Peer Reviewers

The rapid growth in submissions to machine learning venues has strained the scientific peer-review system and intensified interest in LLM-based automated peer reviewers. However, how good these systems are actually, especially compared to human reviewers at catching scientific gaps, remains poorly understood. In this work, we introduce PRISM (Peer Review Intelligence via Structured Multi-dimensional assessment), a benchmarking framework that evaluates review quality across four dimensions: Depth of Analysis, Novelty Assessment,Flaw Identification & Major Issues Prioritization, and Multi-dimensional Constructiveness. Unlike most existing evaluations based on surface-level metrics like ROUGE and BLEU, or unconstrained LLM-as-a-judge prompting that conflates fluency with rigor, PRISM grounds each dimension in argument mining, retrieval-augmented verification, and consensus-based scoring. We apply PRISM to benchmark five leading automated reviewer systems and human reviewers on a stratified corpus of reviews from ICLR, ICML, and NeurIPS. The results reveal that LLMs can match or beat human reviewers on individual dimensions: comparable depth of analysis, stronger novelty verification, and highly accurate critique prioritization. However, no single system consistently matches the balanced performance of the human baseline across all dimensions at once. Each exhibits a distinct specialization profile with characteristic blind spots -- failure modes that aggregate metrics miss entirely. The implication is that LLM reviewers are best understood as targeted supplements to human review, effective within specific dimensions, but unreliable as standalone replacements. Our demo and key results can be found at https://khanhthanhdev.github.io/prism-page/.

VinUniversity VinUniversity
·
May 26 2

Perovskite-R1: A Domain-Specialized LLM for Intelligent Discovery of Precursor Additives and Experimental Design

Perovskite solar cells (PSCs) have rapidly emerged as a leading contender in next-generation photovoltaic technologies, owing to their exceptional power conversion efficiencies and advantageous material properties. Despite these advances, challenges such as long-term stability, environmental sustainability, and scalable manufacturing continue to hinder their commercialization. Precursor additive engineering has shown promise in addressing these issues by enhancing both the performance and durability of PSCs. However, the explosive growth of scientific literature and the complex interplay of materials, processes, and device architectures make it increasingly difficult for researchers to efficiently access, organize, and utilize domain knowledge in this rapidly evolving field. To address this gap, we introduce Perovskite-R1, a specialized large language model (LLM) with advanced reasoning capabilities tailored for the discovery and design of PSC precursor additives. By systematically mining and curating 1,232 high-quality scientific publications and integrating a comprehensive library of 33,269 candidate materials, we constructed a domain-specific instruction-tuning dataset using automated question-answer generation and chain-of-thought reasoning. Fine-tuning the QwQ-32B model on this dataset resulted in Perovskite-R1, which can intelligently synthesize literature insights and generate innovative and practical solutions for defect passivation and the selection of precursor additives. Experimental validation of several model-proposed strategies confirms their effectiveness in improving material stability and performance. Our work demonstrates the potential of domain-adapted LLMs in accelerating materials discovery and provides a closed-loop framework for intelligent, data-driven advancements in perovskite photovoltaic research.

  • 6 authors
·
Jul 22, 2025

A Semantically Consistent Dataset for Data-Efficient Query-Based Universal Sound Separation

Query-based universal sound separation is fundamental to intelligent auditory systems, aiming to isolate specific sources from mixtures. Despite recent advances, existing methods continue to suffer from residual interference in complex acoustic scenes. This performance limitation stems largely from a data bottleneck: in-the-wild datasets contain weak labels and severe co-occurrence of events. These flaws induce models to learn spurious correlations between background noise and target categories instead of robust acoustic features. To address this, we propose an automated pipeline that eliminates co-occurrence of events by mining high-purity single-event segments from in-the-wild datasets via a semantically consistent synthesis protocol. Utilizing this pipeline, we constructed Hive, a high-quality synthetic dataset comprising 2.4k hours of raw audio. Experimental results demonstrate that, compared with the state-of-the-art model SAM-Audio which was trained on a huge dataset sim500 times larger than Hive, certain open-source models trained on Hive achieve competitive separation accuracy and perceptual quality. Moreover, these models exhibited remarkable zero-shot generalization on out-of-distribution evaluation benchmarks. These findings highlight that prioritizing purity of supervised signals enables significant data efficiency, offering a new paradigm for training robust auditory foundation models with reduced computational costs. Code and dataset are available at https://shandaai.github.io/Hive.

AlayaLab Alaya Lab
·
Jan 30 2

Beyond Text and Tables: Vision-Language Model Integration in ComProScanner for Extracting Materials Data from Scientific Figures with High Accuracy

Automated extraction of materials composition-property data from scientific literature has advanced considerably with the development of large language model-based pipelines; however, existing frameworks remain limited to textual and tabular content, overlooking the substantial proportion of quantitative property data reported exclusively in scientific figures. Here, we extend ComProScanner, a fully end-to-end multi-agent framework for automated composition-property database construction, with a native vision-language model (VLM) based figure extraction capability. The extension introduces a FigureExtractor utility for caption-keyword-based figure filtering across all supported publishers, and a GraphExtractorTool agent that passes extracted figures to a configurable VLM to recover composition-property pairs from scientific charts and plots. Four VLMs are selected for evaluation on the basis of the LMArena Diagram leaderboard with an input cost criterion of less than \1.50 per million tokens. Benchmarking on 50 piezoelectric ceramic articles from the established d_{33}$ test corpus demonstrates that Gemini-3-Flash-Preview achieves the highest performance with a composition accuracy of 0.97 and a normalised F1 score of 0.97, whilst remaining the most cost-effective model among the four evaluated. We additionally introduce a range-based value error threshold parameter into the evaluation framework, providing a more physically meaningful assessment of numeric property values extracted from figures than exact value matching. These contributions establish VLM-integrated ComProScanner as the first materials-specific, fully automated, multimodal literature mining platform capable of extracting structured composition-property data from text, tables, and figures within a single unified pipeline.

  • 4 authors
·
May 18

Which Side Are You On? A Multi-task Dataset for End-to-End Argument Summarisation and Evaluation

With the recent advances of large language models (LLMs), it is no longer infeasible to build an automated debate system that helps people to synthesise persuasive arguments. Previous work attempted this task by integrating multiple components. In our work, we introduce an argument mining dataset that captures the end-to-end process of preparing an argumentative essay for a debate, which covers the tasks of claim and evidence identification (Task 1 ED), evidence convincingness ranking (Task 2 ECR), argumentative essay summarisation and human preference ranking (Task 3 ASR) and metric learning for automated evaluation of resulting essays, based on human feedback along argument quality dimensions (Task 4 SQE). Our dataset contains 14k examples of claims that are fully annotated with the various properties supporting the aforementioned tasks. We evaluate multiple generative baselines for each of these tasks, including representative LLMs. We find, that while they show promising results on individual tasks in our benchmark, their end-to-end performance on all four tasks in succession deteriorates significantly, both in automated measures as well as in human-centred evaluation. This challenge presented by our proposed dataset motivates future research on end-to-end argument mining and summarisation. The repository of this project is available at https://github.com/HarrywillDr/ArgSum-Datatset

  • 11 authors
·
Jun 5, 2024

PyGlove: Symbolic Programming for Automated Machine Learning

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.

  • 10 authors
·
Jan 21, 2021

Smart Timing for Mining: A Deep Learning Framework for Bitcoin Hardware ROI Prediction

Bitcoin mining hardware acquisition requires strategic timing due to volatile markets, rapid technological obsolescence, and protocol-driven revenue cycles. Despite mining's evolution into a capital-intensive industry, there is little guidance on when to purchase new Application-Specific Integrated Circuit (ASIC) hardware, and no prior computational frameworks address this decision problem. We address this gap by formulating hardware acquisition as a time series classification task, predicting whether purchasing ASIC machines yields profitable (Return on Investment (ROI) >= 1), marginal (0 < ROI < 1), or unprofitable (ROI <= 0) returns within one year. We propose MineROI-Net, an open source Transformer-based architecture designed to capture multi-scale temporal patterns in mining profitability. Evaluated on data from 20 ASIC miners released between 2015 and 2024 across diverse market regimes, MineROI-Net outperforms LSTM-based and TSLANet baselines, achieving 83.7% accuracy and 83.1% macro F1-score. The model demonstrates strong economic relevance, achieving 93.6% precision in detecting unprofitable periods and 98.5% precision for profitable ones, while avoiding misclassification of profitable scenarios as unprofitable and vice versa. These results indicate that MineROI-Net offers a practical, data-driven tool for timing mining hardware acquisitions, potentially reducing financial risk in capital-intensive mining operations. The model is available through: https://github.com/AMAAI-Lab/MineROI-Net.

MINES: Explainable Anomaly Detection through Web API Invariant Inference

Detecting the anomalies of web applications, important infrastructures for running modern companies and governments, is crucial for providing reliable web services. Many modern web applications operate on web APIs (e.g., RESTful, SOAP, and WebSockets), their exposure invites intended attacks or unintended illegal visits, causing abnormal system behaviors. However, such anomalies can share very similar logs with normal logs, missing crucial information (which could be in database) for log discrimination. Further, log instances can be also noisy, which can further mislead the state-of-the-art log learning solutions to learn spurious correlation, resulting superficial models and rules for anomaly detection. In this work, we propose MINES which infers explainable API invariants for anomaly detection from the schema level instead of detailed raw log instances, which can (1) significantly discriminate noise in logs to identify precise normalities and (2) detect abnormal behaviors beyond the instrumented logs. Technically, MINES (1) converts API signatures into table schema to enhance the original database shema; and (2) infers the potential database constraints on the enhanced database schema to capture the potential relationships between APIs and database tables. MINES uses LLM for extracting potential relationship based on two given table structures; and use normal log instances to reject and accept LLM-generated invariants. Finally, MINES translates the inferred constraints into invariants to generate Python code for verifying the runtime logs. We extensively evaluate MINES on web-tamper attacks on the benchmarks of TrainTicket, NiceFish, Gitea, Mastodon, and NextCloud against baselines such as LogRobust, LogFormer, and WebNorm. The results show that MINES achieves high recall for the anomalies while introducing almost zero false positives, indicating a new state-of-the-art.

  • 8 authors
·
Dec 6, 2025

AutoMMLab: Automatically Generating Deployable Models from Language Instructions for Computer Vision Tasks

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.

  • 6 authors
·
Feb 23, 2024

AutoML-Agent: A Multi-Agent LLM Framework for Full-Pipeline AutoML

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.

  • 3 authors
·
Oct 3, 2024

QuantaAlpha: An Evolutionary Framework for LLM-Driven Alpha Mining

Financial markets are noisy and non-stationary, making alpha mining highly sensitive to noise in backtesting results and sudden market regime shifts. While recent agentic frameworks improve alpha mining automation, they often lack controllable multi-round search and reliable reuse of validated experience. To address these challenges, we propose QuantaAlpha, an evolutionary alpha mining framework that treats each end-to-end mining run as a trajectory and improves factors through trajectory-level mutation and crossover operations. QuantaAlpha localizes suboptimal steps in each trajectory for targeted revision and recombines complementary high-reward segments to reuse effective patterns, enabling structured exploration and refinement across mining iterations. During factor generation, QuantaAlpha enforces semantic consistency across the hypothesis, factor expression, and executable code, while constraining the complexity and redundancy of the generated factor to mitigate crowding. Extensive experiments on the China Securities Index 300 (CSI 300) demonstrate consistent gains over strong baseline models and prior agentic systems. When utilizing GPT-5.2, QuantaAlpha achieves an Information Coefficient (IC) of 0.1501, with an Annualized Rate of Return (ARR) of 27.75% and a Maximum Drawdown (MDD) of 7.98%. Moreover, factors mined on CSI 300 transfer effectively to the China Securities Index 500 (CSI 500) and the Standard & Poor's 500 Index (S&P 500), delivering 160% and 137% cumulative excess return over four years, respectively, which indicates strong robustness of QuantaAlpha under market distribution shifts.

QuantaAlpha QuantaAlpha
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Feb 6 3

The Technological Emergence of AutoML: A Survey of Performant Software and Applications in the Context of Industry

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.

  • 4 authors
·
Nov 8, 2022

AutoResearchClaw: Self-Reinforcing Autonomous Research with Human-AI Collaboration

Automating scientific discovery requires more than generating papers from ideas. Real research is iterative: hypotheses are challenged from multiple perspectives, experiments fail and inform the next attempt, and lessons accumulate across cycles. Existing autonomous research systems often model this process as a linear pipeline: they rely on single-agent reasoning, stop when execution fails, and do not carry experience across runs. We present AutoResearchClaw, a multi-agent autonomous research pipeline built on five mechanisms: structured multi-agent debate for hypothesis generation and result analysis, a self-healing executor with a Pivot/Refine decision loop that transforms failures into information, verifiable result reporting that prevents fabricated numbers and hallucinated citations, human-in-the-loop collaboration with seven intervention modes spanning full autonomy to step-by-step oversight, and cross-run evolution that converts past mistakes into future safeguards. On ARC-Bench, a 25-topic experiment-stage benchmark, AutoResearchClaw outperforms AI Scientist v2 by 54.7%. A human-in-the-loop ablation across seven intervention modes reveals that precise, targeted collaboration at high-leverage decision points consistently outperforms both full autonomy and exhaustive step-by-step oversight. We position AutoResearchClaw as a research amplifier that augments rather than replaces human scientific judgment. Code is available at https://github.com/aiming-lab/AutoResearchClaw.

  • 35 authors
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May 18 1

Agentic Design of Compositional Descriptors via Autoresearch for Materials Science Applications

Autoresearch offers a flexible paradigm for automating scientific tasks, in which an AI agent proposes, implements, evaluates, and refines candidate solutions against a quantitative objective. Here, we use composition-based materials-property prediction to test whether such agents can perform a task beyond model selection and hyperparameter optimization: the design of input descriptors. We introduce Automat, an autoresearch framework where a coding agent based on a large language model generates composition-only descriptors for chemical compounds and evaluates them using a random forest workflow. The agent is restricted to information derivable from chemical formulas and iteratively proposes, implements, and tests chemically motivated descriptor strategies. We apply Automat, with OpenAI Codex using GPT-5.5 as the coding agent, to the prediction of experimental band gaps in inorganic materials and Curie temperatures in ferromagnetic compounds. In both tasks, Automat improves over fractional-composition, Magpie, and combined fractional-composition/Magpie baselines, while producing descriptor families that are chemically interpretable. These results provide a demonstration that autoresearch agents can generate competitive, task-specific materials descriptors without manual feature engineering during the run. They also reveal current limitations, including descriptor redundancy, sensitivity to greedy feature expansion, and the need for explicit complexity control, descriptor pruning, and more sophisticated search strategies.

  • 2 authors
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May 13

Peregrine: A Pattern-Aware Graph Mining System

Graph mining workloads aim to extract structural properties of a graph by exploring its subgraph structures. General purpose graph mining systems provide a generic runtime to explore subgraph structures of interest with the help of user-defined functions that guide the overall exploration process. However, the state-of-the-art graph mining systems remain largely oblivious to the shape (or pattern) of the subgraphs that they mine. This causes them to: (a) explore unnecessary subgraphs; (b) perform expensive computations on the explored subgraphs; and, (c) hold intermediate partial subgraphs in memory; all of which affect their overall performance. Furthermore, their programming models are often tied to their underlying exploration strategies, which makes it difficult for domain users to express complex mining tasks. In this paper, we develop Peregrine, a pattern-aware graph mining system that directly explores the subgraphs of interest while avoiding exploration of unnecessary subgraphs, and simultaneously bypassing expensive computations throughout the mining process. We design a pattern-based programming model that treats "graph patterns" as first class constructs and enables Peregrine to extract the semantics of patterns, which it uses to guide its exploration. Our evaluation shows that Peregrine outperforms state-of-the-art distributed and single machine graph mining systems, and scales to complex mining tasks on larger graphs, while retaining simplicity and expressivity with its "pattern-first" programming approach.

  • 3 authors
·
Apr 5, 2020

CycleResearcher: Improving Automated Research via Automated Review

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.

  • 7 authors
·
Oct 28, 2024

AlphaAgent: LLM-Driven Alpha Mining with Regularized Exploration to Counteract Alpha Decay

Alpha mining, a critical component in quantitative investment, focuses on discovering predictive signals for future asset returns in increasingly complex financial markets. However, the pervasive issue of alpha decay, where factors lose their predictive power over time, poses a significant challenge for alpha mining. Traditional methods like genetic programming face rapid alpha decay from overfitting and complexity, while approaches driven by Large Language Models (LLMs), despite their promise, often rely too heavily on existing knowledge, creating homogeneous factors that worsen crowding and accelerate decay. To address this challenge, we propose AlphaAgent, an autonomous framework that effectively integrates LLM agents with ad hoc regularizations for mining decay-resistant alpha factors. AlphaAgent employs three key mechanisms: (i) originality enforcement through a similarity measure based on abstract syntax trees (ASTs) against existing alphas, (ii) hypothesis-factor alignment via LLM-evaluated semantic consistency between market hypotheses and generated factors, and (iii) complexity control via AST-based structural constraints, preventing over-engineered constructions that are prone to overfitting. These mechanisms collectively guide the alpha generation process to balance originality, financial rationale, and adaptability to evolving market conditions, mitigating the risk of alpha decay. Extensive evaluations show that AlphaAgent outperforms traditional and LLM-based methods in mitigating alpha decay across bull and bear markets, consistently delivering significant alpha in Chinese CSI 500 and US S&P 500 markets over the past four years. Notably, AlphaAgent showcases remarkable resistance to alpha decay, elevating the potential for yielding powerful factors.

  • 8 authors
·
Jun 8, 2025

AutoResearchBench: Benchmarking AI Agents on Complex Scientific Literature Discovery

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to acquire evidence for verifying assumptions and supporting claims. To assess AI agents' capability in driving this process, we present AutoResearchBench, a dedicated benchmark for autonomous scientific literature discovery. AutoResearchBench consists of two complementary task types: (1) Deep Research, which requires tracking down a specific target paper through a progressive, multi-step probing process, and (2) Wide Research, which requires comprehensively collecting a set of papers satisfying given conditions. Compared to previous benchmarks on agentic web browsing, AutoResearchBench is distinguished along three dimensions: it is research-oriented, calling for in-depth comprehension of scientific concepts; literature-focused, demanding fine-grained utilization of detailed information; and open-ended, involving an unknown number of qualified papers and thus requiring deliberate reasoning and search throughout. These properties make AutoResearchBench uniquely suited for evaluating autonomous research capabilities, and extraordinarily challenging. Even the most powerful LLMs, despite having largely conquered general agentic web-browsing benchmarks such as BrowseComp, achieve only 9.39% accuracy on Deep Research and 9.31% IoU on Wide Research, while many other strong baselines fall below 5%. We publicly release the dataset and evaluation pipeline to facilitate future research in this direction. We publicly release the dataset, evaluation pipeline, and code at https://github.com/CherYou/AutoResearchBench.

Towards Execution-Grounded Automated AI Research

Automated AI research holds great potential to accelerate scientific discovery. However, current LLMs often generate plausible-looking but ineffective ideas. Execution grounding may help, but it is unclear whether automated execution is feasible and whether LLMs can learn from the execution feedback. To investigate these, we first build an automated executor to implement ideas and launch large-scale parallel GPU experiments to verify their effectiveness. We then convert two realistic research problems - LLM pre-training and post-training - into execution environments and demonstrate that our automated executor can implement a large fraction of the ideas sampled from frontier LLMs. We analyze two methods to learn from the execution feedback: evolutionary search and reinforcement learning. Execution-guided evolutionary search is sample-efficient: it finds a method that significantly outperforms the GRPO baseline (69.4% vs 48.0%) on post-training, and finds a pre-training recipe that outperforms the nanoGPT baseline (19.7 minutes vs 35.9 minutes) on pre-training, all within just ten search epochs. Frontier LLMs often generate meaningful algorithmic ideas during search, but they tend to saturate early and only occasionally exhibit scaling trends. Reinforcement learning from execution reward, on the other hand, suffers from mode collapse. It successfully improves the average reward of the ideator model but not the upper-bound, due to models converging on simple ideas. We thoroughly analyze the executed ideas and training dynamics to facilitate future efforts towards execution-grounded automated AI research.

  • 6 authors
·
Jan 20

Toward Generalist Autonomous Research via Hypothesis-Tree Refinement

Scientific progress depends on a repeated loop of exploration, experimentation, and abstraction. Researchers test candidate directions, interpret the evidence, and carry the resulting lessons into later attempts. We study how an AI agent can run this loop autonomously over long horizons. We introduce Arbor, a general framework for autonomous research that combines a long-lived coordinator, short-lived executors, and Hypothesis Tree Refinement (HTR), a persistent tree that links hypotheses, artifacts, evidence, and distilled insights across time. The coordinator manages global research strategy over the tree, while executors implement and test individual hypotheses in isolated worktrees. As results return, Arbor updates the tree, propagates reusable lessons, refines the search frontier, and admits verified improvements. This design turns autonomous research from a sequence of local attempts into a cumulative process in which strategy, execution, and evidence are carried across time. We evaluate Arbor under Autonomous Optimization (AO), an operational setting where an agent improves an initial research artifact through iterative experimentation without step-level human supervision. Across six real research tasks in model training, harness engineering, and data synthesis, Arbor achieves the best held-out result on all six tasks, attaining more than 2.5x the average relative held-out gain of Codex and Claude Code under the same task interface and resource budget. On MLE-Bench Lite, Arbor reaches 86.36% Any Medal with GPT-5.5, the strongest result in our comparison.

Evaluating the Ability of LLMs to Solve Semantics-Aware Process Mining Tasks

The process mining community has recently recognized the potential of large language models (LLMs) for tackling various process mining tasks. Initial studies report the capability of LLMs to support process analysis and even, to some extent, that they are able to reason about how processes work. This latter property suggests that LLMs could also be used to tackle process mining tasks that benefit from an understanding of process behavior. Examples of such tasks include (semantic) anomaly detection and next activity prediction, which both involve considerations of the meaning of activities and their inter-relations. In this paper, we investigate the capabilities of LLMs to tackle such semantics-aware process mining tasks. Furthermore, whereas most works on the intersection of LLMs and process mining only focus on testing these models out of the box, we provide a more principled investigation of the utility of LLMs for process mining, including their ability to obtain process mining knowledge post-hoc by means of in-context learning and supervised fine-tuning. Concretely, we define three process mining tasks that benefit from an understanding of process semantics and provide extensive benchmarking datasets for each of them. Our evaluation experiments reveal that (1) LLMs fail to solve challenging process mining tasks out of the box and when provided only a handful of in-context examples, (2) but they yield strong performance when fine-tuned for these tasks, consistently surpassing smaller, encoder-based language models.

  • 4 authors
·
Jul 2, 2024

AutoManual: Constructing Instruction Manuals by LLM Agents via Interactive Environmental Learning

Large Language Models (LLM) based agents have shown promise in autonomously completing tasks across various domains, e.g., robotics, games, and web navigation. However, these agents typically require elaborate design and expert prompts to solve tasks in specific domains, which limits their adaptability. We introduce AutoManual, a framework enabling LLM agents to autonomously build their understanding through interaction and adapt to new environments. AutoManual categorizes environmental knowledge into diverse rules and optimizes them in an online fashion by two agents: 1) The Planner codes actionable plans based on current rules for interacting with the environment. 2) The Builder updates the rules through a well-structured rule system that facilitates online rule management and essential detail retention. To mitigate hallucinations in managing rules, we introduce a *case-conditioned prompting* strategy for the Builder. Finally, the Formulator agent compiles these rules into a comprehensive manual. The self-generated manual can not only improve the adaptability but also guide the planning of smaller LLMs while being human-readable. Given only one simple demonstration, AutoManual significantly improves task success rates, achieving 97.4\% with GPT-4-turbo and 86.2\% with GPT-3.5-turbo on ALFWorld benchmark tasks. The code is available at https://github.com/minghchen/automanual.

  • 6 authors
·
May 25, 2024

ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery

The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about the true capabilities of such agents. In this work, we argue that for an agent to fully automate scientific discovery, it must be able to complete all essential tasks in the workflow. Thus, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. These results underscore the limited capacities of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research.

  • 20 authors
·
Oct 7, 2024 2

AutoSOTA: An End-to-End Automated Research System for State-of-the-Art AI Model Discovery

Artificial intelligence research increasingly depends on prolonged cycles of reproduction, debugging, and iterative refinement to achieve State-Of-The-Art (SOTA) performance, creating a growing need for systems that can accelerate the full pipeline of empirical model optimization. In this work, we introduce AutoSOTA, an end-to-end automated research system that advances the latest SOTA models published in top-tier AI papers to reproducible and empirically improved new SOTA models. We formulate this problem through three tightly coupled stages: resource preparation and goal setting; experiment evaluation; and reflection and ideation. To tackle this problem, AutoSOTA adopts a multi-agent architecture with eight specialized agents that collaboratively ground papers to code and dependencies, initialize and repair execution environments, track long-horizon experiments, generate and schedule optimization ideas, and supervise validity to avoid spurious gains. We evaluate AutoSOTA on recent research papers collected from eight top-tier AI conferences under filters for code availability and execution cost. Across these papers, AutoSOTA achieves strong end-to-end performance in both automated replication and subsequent optimization. Specifically, it successfully discovers 105 new SOTA models that surpass the original reported methods, averaging approximately five hours per paper. Case studies spanning LLM, NLP, computer vision, time series, and optimization further show that the system can move beyond routine hyperparameter tuning to identify architectural innovation, algorithmic redesigns, and workflow-level improvements. These results suggest that end-to-end research automation can serve not only as a performance optimizer, but also as a new form of research infrastructure that reduces repetitive experimental burden and helps redirect human attention toward higher-level scientific creativity.

  • 16 authors
·
Apr 6

Kosmos: An AI Scientist for Autonomous Discovery

Data-driven scientific discovery requires iterative cycles of literature search, hypothesis generation, and data analysis. Substantial progress has been made towards AI agents that can automate scientific research, but all such agents remain limited in the number of actions they can take before losing coherence, thus limiting the depth of their findings. Here we present Kosmos, an AI scientist that automates data-driven discovery. Given an open-ended objective and a dataset, Kosmos runs for up to 12 hours performing cycles of parallel data analysis, literature search, and hypothesis generation before synthesizing discoveries into scientific reports. Unlike prior systems, Kosmos uses a structured world model to share information between a data analysis agent and a literature search agent. The world model enables Kosmos to coherently pursue the specified objective over 200 agent rollouts, collectively executing an average of 42,000 lines of code and reading 1,500 papers per run. Kosmos cites all statements in its reports with code or primary literature, ensuring its reasoning is traceable. Independent scientists found 79.4% of statements in Kosmos reports to be accurate, and collaborators reported that a single 20-cycle Kosmos run performed the equivalent of 6 months of their own research time on average. Furthermore, collaborators reported that the number of valuable scientific findings generated scales linearly with Kosmos cycles (tested up to 20 cycles). We highlight seven discoveries made by Kosmos that span metabolomics, materials science, neuroscience, and statistical genetics. Three discoveries independently reproduce findings from preprinted or unpublished manuscripts that were not accessed by Kosmos at runtime, while four make novel contributions to the scientific literature.

  • 37 authors
·
Nov 4, 2025

The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery

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

  • 6 authors
·
Aug 12, 2024 11

AutoResearch AI: Towards AI-Powered Research Automation for Scientific Discovery

Scientific research is being reshaped by AI systems that move beyond isolated assistance toward longer-horizon workflows spanning literature grounding, hypothesis generation, experimentation, validation, reporting, and revision. This shift marks a transition from task-level AI for science to workflow-level research automation. Yet current systems remain fragmented, differing in autonomy, domain scope, execution environment, validation mechanism, and human oversight, while still struggling with evidence preservation, reproducibility, weak-direction rejection, provenance tracking, cross-domain robustness, and accountable scientific closure. This survey examines these developments through AutoResearch, defined as the developmental spectrum of AI-powered scientific workflow automation. Within it, Vibe Research denotes the human-steered region of prompt-based assistance and human-verified execution, whereas emerging AI-led systems coordinate larger portions of the discovery loop without achieving robust autonomy. We analyze how research systems redistribute control, evidence, execution, validation, and accountability across workflows and organize the field around five workflow conditions: literature and research grounding; hypothesis formation and planning; experimentation and tool use; feedback, validation, and review; and reporting and knowledge communication. We further synthesize AI scientist systems, mixed-initiative co-research frameworks, benchmarks, domain deployments, and open-source infrastructures. Finally, we propose five evaluation dimensions--novelty, validity, impact, reliability, and provenance--and show that AutoResearch autonomy is domain-conditioned, being more credible in structured, executable, and rapidly verifiable settings but limited in embodied, delayed, heterogeneous, ethical, or institutionally accountable contexts.

  • 23 authors
·
May 21 4

Spacer: Towards Engineered Scientific Inspiration

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

  • 16 authors
·
Aug 25, 2025 2

Idea2Story: An Automated Pipeline for Transforming Research Concepts into Complete Scientific Narratives

Autonomous scientific discovery with large language model (LLM)-based agents has recently made substantial progress, demonstrating the ability to automate end-to-end research workflows. However, existing systems largely rely on runtime-centric execution paradigms, repeatedly reading, summarizing, and reasoning over large volumes of scientific literature online. This on-the-spot computation strategy incurs high computational cost, suffers from context window limitations, and often leads to brittle reasoning and hallucination. We propose Idea2Story, a pre-computation-driven framework for autonomous scientific discovery that shifts literature understanding from online reasoning to offline knowledge construction. Idea2Story continuously collects peer-reviewed papers together with their review feedback, extracts core methodological units, composes reusable research patterns, and organizes them into a structured methodological knowledge graph. At runtime, underspecified user research intents are aligned to established research paradigms, enabling efficient retrieval and reuse of high-quality research patterns instead of open-ended generation and trial-and-error. By grounding research planning and execution in a pre-built knowledge graph, Idea2Story alleviates the context window bottleneck of LLMs and substantially reduces repeated runtime reasoning over literature. We conduct qualitative analyses and preliminary empirical studies demonstrating that Idea2Story can generate coherent, methodologically grounded, and novel research patterns, and can produce several high-quality research demonstrations in an end-to-end setting. These results suggest that offline knowledge construction provides a practical and scalable foundation for reliable autonomous scientific discovery.

AgentAlphaAGI AgentAlpha
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Jan 28 2

Assessing the Use of AutoML for Data-Driven Software Engineering

Background. Due to the widespread adoption of Artificial Intelligence (AI) and Machine Learning (ML) for building software applications, companies are struggling to recruit employees with a deep understanding of such technologies. In this scenario, AutoML is soaring as a promising solution to fill the AI/ML skills gap since it promises to automate the building of end-to-end AI/ML pipelines that would normally be engineered by specialized team members. Aims. Despite the growing interest and high expectations, there is a dearth of information about the extent to which AutoML is currently adopted by teams developing AI/ML-enabled systems and how it is perceived by practitioners and researchers. Method. To fill these gaps, in this paper, we present a mixed-method study comprising a benchmark of 12 end-to-end AutoML tools on two SE datasets and a user survey with follow-up interviews to further our understanding of AutoML adoption and perception. Results. We found that AutoML solutions can generate models that outperform those trained and optimized by researchers to perform classification tasks in the SE domain. Also, our findings show that the currently available AutoML solutions do not live up to their names as they do not equally support automation across the stages of the ML development workflow and for all the team members. Conclusions. We derive insights to inform the SE research community on how AutoML can facilitate their activities and tool builders on how to design the next generation of AutoML technologies.

  • 4 authors
·
Jul 20, 2023

Autonomous Scientific Discovery via Iterative Meta-Reflection

Autonomous scientific discovery systems offer the potential to accelerate research by automating the process of hypothesis generation and validation. However, current systems operate within constrained search spaces or require predefined research questions, limiting their capacity for true open-ended inquiry. Furthermore, while they generate hypotheses iteratively, they largely lack the ability to explicitly synthesize their own accumulated findings to uncover complex, interconnected phenomena. We introduce DiscoPER, an autonomous large language model-powered framework that conducts open-ended research by dynamically generating and executing code to explore datasets without pre-specified research objectives. To ensure rigorous scientific validity, every proposed discovery must pass statistical testing. To overcome the limitations of isolated search, our framework introduces a second-order reasoning mechanism that periodically analyzes its own accumulated discoveries. By treating prior discoveries as empirical data, DiscoPER identifies structural patterns, confounds, and epistemic gaps, actively redirecting hypothesis exploration toward uncharted regions of the search space. The search space is further expanded by incorporating tool use, enabling the system to explore hypotheses beyond structured metadata by seamlessly processing and extracting useful information from multimodal sources like images. Evaluated on iNatDisco, a new multimodal ecological knowledge benchmark with pattern-level ground truth obtained from peer-reviewed literature, DiscoPER recovers 8 of 9 known patterns with a 72.7% hypothesis support rate, outperforming both classical causal discovery and LLM-guided baselines. Ablations show that DiscoPER scales with more data, and confirms the benefits of second-order meta-reflection.

  • 3 authors
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Jun 30 2

NanoResearch: Co-Evolving Skills, Memory, and Policy for Personalized Research Automation

LLM-powered multi-agent systems can now automate the full research pipeline from ideation to paper writing, but a fundamental question remains: automation for whom? Researchers operate under different resource configurations, hold different methodological preferences, and target different output formats. A system that produces uniform outputs regardless of these differences will systematically under-serve every individual user, making personalization a precondition for research automation to be genuinely usable. However, achieving it requires three capabilities that current systems lack: accumulating reusable procedural knowledge across projects, retaining user-specific experience across sessions, and internalizing implicit preferences that resist explicit formalization. We propose NanoResearch, a multi-agent framework that addresses these gaps through tri-level co-evolution. A skill bank distills recurring operations into compact procedural rules reusable across projects. A memory module maintains user- and project-specific experience that grounds planning decisions in each user's research history. A label-free policy learning converts free-form feedback into persistent parameter updates of the planner, reshaping subsequent coordination. These three layers co-evolve: reliable skills produce richer memory, richer memory informs better planning, and preference internalization continuously realigns the loop to each user. Extensive experiments demonstrate that NanoResearch delivers substantial gains over state-of-the-art AI research systems, and progressively refines itself to produce better research at lower cost over successive cycles.

  • 15 authors
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May 10 1

AICC: Parse HTML Finer, Make Models Better -- A 7.3T AI-Ready Corpus Built by a Model-Based HTML Parser

While web data quality is crucial for large language models, most curation efforts focus on filtering and deduplication,treating HTML-to-text extraction as a fixed pre-processing step. Existing web corpora rely on heuristic-based extractors like Trafilatura, which struggle to preserve document structure and frequently corrupt structured elements such as formulas, codes, and tables. We hypothesize that improving extraction quality can be as impactful as aggressive filtering strategies for downstream performance. We introduce MinerU-HTML, a novel extraction pipeline that reformulates content extraction as a sequence labeling problem solved by a 0.6B-parameter language model. Unlike text-density heuristics, MinerU-HTML leverages semantic understanding and employs a two-stage formatting pipeline that explicitly categorizes semantic elements before converting to Markdown. Crucially, its model-based approach is inherently scalable, whereas heuristic methods offer limited improvement pathways. On MainWebBench, our benchmark of 7,887 annotated web pages, MinerU-HTML achieves 81.8\% ROUGE-N F1 compared to Trafilatura's 63.6\%, with exceptional structured element preservation (90.9\% for code blocks, 94.0\% for formulas). Using MinerU-HTML, we construct AICC (AI-ready Common Crawl), a 7.3-trillion token multilingual corpus from two Common Crawl snapshots. In controlled pretraining experiments where AICC and Trafilatura-extracted TfCC undergo identical filtering, models trained on AICC (62B tokens) achieve 50.8\% average accuracy across 13 benchmarks, outperforming TfCC by 1.08pp-providing direct evidence that extraction quality significantly impacts model capabilities. AICC also surpasses RefinedWeb and FineWeb on key benchmarks. We publicly release MainWebBench, MinerU-HTML, and AICC, demonstrating that HTML extraction is a critical, often underestimated component of web corpus construction.

opendatalab OpenDataLab
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Nov 20, 2025 2

EurekAgent: Agent Environment Engineering is All You Need For Autonomous Scientific Discovery

LLM-based agents have shown increasing potential in automating scientific discovery. Given an optimizable metric and an execution environment, they can propose, validate, and iterate scientific solutions, and have produced results that outperform human-designed approaches. As model capabilities continue to improve, we argue that the bottleneck for autonomous scientific discovery is shifting from prescribing agent workflows to designing agent environments: the resources, constraints, and interfaces that shape agent behavior. We frame this as environment engineering: building environments that amplify productive behaviors, such as open-ended exploration, systematic artifact management, and inter-agent collaboration, while suppressing harmful behaviors, such as reward hacking and high-friction human oversight. We present EurekAgent, an environment-engineered agent system for metric-driven autonomous scientific discovery. EurekAgent engineers the environment along four dimensions: permissions engineering for bounded agent execution and isolated evaluation; artifact engineering for filesystem and Git-based collaboration; budget engineering for budget-aware exploration; and human-in-the-loop engineering for easy human supervision and intervention. EurekAgent sets new state-of-the-art results on multiple mathematics, kernel engineering, and machine learning tasks, including new state-of-the-art 26-circle packing results discovered with less than $11 in total API cost. We open-source our code and results, and call for environment engineering as a core research direction for developing reliable autonomous research agents.

AI Act Evaluation Benchmark: An Open, Transparent, and Reproducible Evaluation Dataset for NLP and RAG Systems

The rapid rollout of AI in heterogeneous public and societal sectors has subsequently escalated the need for compliance with regulatory standards and frameworks. The EU AI Act has emerged as a landmark in the regulatory landscape. The development of solutions that elicit the level of AI systems' compliance with such standards is often limited by the lack of resources, hindering the semi-automated or automated evaluation of their performance. This generates the need for manual work, which is often error-prone, resource-limited or limited to cases not clearly described by the regulation. This paper presents an open, transparent, and reproducible method of creating a resource that facilitates the evaluation of NLP models with a strong focus on RAG systems. We have developed a dataset that contain the tasks of risk-level classification, article retrieval, obligation generation, and question-answering for the EU AI Act. The dataset files are in a machine-to-machine appropriate format. To generate the files, we utilise domain knowledge as an exegetical basis, combining with the processing and reasoning power of large language models to generate scenarios along with the respective tasks. Our methodology demonstrates a way to harness language models for grounded generation with high document relevancy. Besides, we overcome limitations such as navigating the decision boundaries of risk-levels that are not explicitly defined within the EU AI Act, such as limited and minimal cases. Finally, we demonstrate our dataset's effectiveness by evaluating a RAG-based solution that reaches 0.87 and 0.85 F1-score for prohibited and high-risk scenarios.

  • 4 authors
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Mar 9

AutoData: A Multi-Agent System for Open Web Data Collection

The exponential growth of data-driven systems and AI technologies has intensified the demand for high-quality web-sourced datasets. While existing datasets have proven valuable, conventional web data collection approaches face significant limitations in terms of human effort and scalability. Current data-collecting solutions fall into two categories: wrapper-based methods that struggle with adaptability and reproducibility, and large language model (LLM)-based approaches that incur substantial computational and financial costs. To address these challenges, we propose AutoData, a novel multi-agent system for Automated web Data collection, that requires minimal human intervention, i.e., only necessitating a natural language instruction specifying the desired dataset. In addition, AutoData is designed with a robust multi-agent architecture, featuring a novel oriented message hypergraph coordinated by a central task manager, to efficiently organize agents across research and development squads. Besides, we introduce a novel hypergraph cache system to advance the multi-agent collaboration process that enables efficient automated data collection and mitigates the token cost issues prevalent in existing LLM-based systems. Moreover, we introduce Instruct2DS, a new benchmark dataset supporting live data collection from web sources across three domains: academic, finance, and sports. Comprehensive evaluations over Instruct2DS and three existing benchmark datasets demonstrate AutoData's superior performance compared to baseline methods. Case studies on challenging tasks such as picture book collection and paper extraction from surveys further validate its applicability. Our source code and dataset are available at https://github.com/GraphResearcher/AutoData.

  • 12 authors
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May 21, 2025

BlazingAML: High-Throughput Anti-Money Laundering (AML) via Multi-Stage Graph Mining

Money laundering detection faces challenges due to excessive false positives and inadequate adaptation to sophisticated multi-stage schemes that exploit modern financial networks. Graph analytics and AI are promising tools, but they struggle with the fuzziness of laundering patterns, which exhibit structural and temporal variations. Conventional data mining techniques require the detailed enumeration of pattern variants, which not only complicates the analyst's task to specify them, but also leads to large run-time overheads and difficulty training accurate AI models. The paper presents BlazingAML, a scalable AML system design that introduces: 1. A novel multi-stage framework for expressing fuzzy money laundering patterns 2. A domain-specific compiler that transforms high-level pattern descriptions into high-performance code for CPU and GPU back-ends The multi-stage abstraction decomposes complex laundering schemes into logical stages connected by graph operations, enabling diverse patterns to be expressed using unified primitives while capturing structural and temporal fuzziness. The compiler applies sophisticated optimizations, eliminating manual parallel programming requirements for financial analysts. Evaluation on IBM AML datasets shows BlazingAML achieves the same F1 score as state-of-the-art approaches while delivering 210x and 333x higher speedup on CPU and GPU respectively, with superior scalability.

  • 5 authors
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Apr 13

AutoIOT: LLM-Driven Automated Natural Language Programming for AIoT Applications

The advent of Large Language Models (LLMs) has profoundly transformed our lives, revolutionizing interactions with AI and lowering the barrier to AI usage. While LLMs are primarily designed for natural language interaction, the extensive embedded knowledge empowers them to comprehend digital sensor data. This capability enables LLMs to engage with the physical world through IoT sensors and actuators, performing a myriad of AIoT tasks. Consequently, this evolution triggers a paradigm shift in conventional AIoT application development, democratizing its accessibility to all by facilitating the design and development of AIoT applications via natural language. However, some limitations need to be addressed to unlock the full potential of LLMs in AIoT application development. First, existing solutions often require transferring raw sensor data to LLM servers, which raises privacy concerns, incurs high query fees, and is limited by token size. Moreover, the reasoning processes of LLMs are opaque to users, making it difficult to verify the robustness and correctness of inference results. This paper introduces AutoIOT, an LLM-based automated program generator for AIoT applications. AutoIOT enables users to specify their requirements using natural language (input) and automatically synthesizes interpretable programs with documentation (output). AutoIOT automates the iterative optimization to enhance the quality of generated code with minimum user involvement. AutoIOT not only makes the execution of AIoT tasks more explainable but also mitigates privacy concerns and reduces token costs with local execution of synthesized programs. Extensive experiments and user studies demonstrate AutoIOT's remarkable capability in program synthesis for various AIoT tasks. The synthesized programs can match and even outperform some representative baselines.

  • 4 authors
·
Mar 7, 2025

CADAQUES: A Cost-Aware Dual Architecture for Query-Efficient Autonomous Discovery

Autonomous discovery systems couple a resource that answers queries (a simulator, instrument, or analytic model) to an algorithm that selects what to query next. Most software frameworks for this loop inherit the control structure of numerical optimization: campaigns run for a fixed number of iterations, query costs are absent from the programming interface, and decision-making is treated as free. In practice, queries may differ in cost by orders of magnitude, and planners built on large language models or expensive surrogates consume resources of their own. Here we present CADAQUES, an open-source Python framework built on one architectural principle: cost is a first-class primitive of the discovery loop. CADAQUES separates the loop into two structural protocols, an Oracle that answers queries and a Driver that proposes them, and charges both evaluations and decisions against a common vector-valued budget spanning wall time, CPU hours, monetary cost, and language model tokens. An append-only ledger records, for each transaction, the cost declared before execution and the cost settled afterwards, making their discrepancy an observable property of the campaign. We evaluate the architecture by locating the critical temperature of the two-dimensional Ising model from noisy finite-size estimates against the exact thermodynamic-limit reference. In this noisy setting, strategies that concentrate around the best observed result can be misled by noise-induced peaks, whereas a schedule that explores with cheap low-fidelity queries and refines with higher-fidelity ones yields lower and less variable errors than high fidelity throughout, at the studied budget scale. Metering adds tens of microseconds per iteration, three orders of magnitude below the cheapest oracle query. The framework is MIT-licensed and archived at Zenodo (doi:10.5281/zenodo.21293589).

  • 1 authors
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Jul 16

Agent-based Learning of Materials Datasets from Scientific Literature

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and rich resource of such data. However, manual dataset creation from these resources is challenging due to issues in maintaining quality and consistency, scalability limitations, and the risk of human error and bias. Therefore, in this work, we develop a chemist AI agent, powered by large language models (LLMs), to overcome these challenges by autonomously creating structured datasets from natural language text, ranging from sentences and paragraphs to extensive scientific research articles. Our chemist AI agent, Eunomia, can plan and execute actions by leveraging the existing knowledge from decades of scientific research articles, scientists, the Internet and other tools altogether. We benchmark the performance of our approach in three different information extraction tasks with various levels of complexity, including solid-state impurity doping, metal-organic framework (MOF) chemical formula, and property relations. Our results demonstrate that our zero-shot agent, with the appropriate tools, is capable of attaining performance that is either superior or comparable to the state-of-the-art fine-tuned materials information extraction methods. This approach simplifies compilation of machine learning-ready datasets for various materials discovery applications, and significantly ease the accessibility of advanced natural language processing tools for novice users in natural language. The methodology in this work is developed as an open-source software on https://github.com/AI4ChemS/Eunomia.

  • 2 authors
·
Dec 18, 2023

AI for Auto-Research: Roadmap & User Guide

AI-assisted research is crossing a threshold: fully automated systems can now generate research papers for as little as $15, while long-horizon agents can execute experiments, draft manuscripts, and simulate critique with minimal human input. Yet this productivity frontier exposes a deeper integrity problem: under scientific pressure, even frontier LLMs still fabricate results, miss hidden errors, and fail to judge novelty reliably. Studying developments through April 2026, we present an end-to-end analysis of AI across the complete research lifecycle, organized into four epistemological phases: Creation (idea generation, literature review, coding & experiments, tables & figures), Writing (paper writing), Validation (peer review, rebuttal & revision), and Dissemination (posters, slides, videos, social media, project pages, and interactive agents). We identify a sharp, stage-dependent boundary between reliable assistance and unreliable autonomy: AI excels at structured, retrieval-grounded, and tool-mediated tasks, but remains fragile for genuinely novel ideas, research-level experiments, and scientific judgment. Generated ideas often degrade after implementation, research code lags far behind pattern-matching benchmarks, and end-to-end autonomous systems have not yet consistently reached major-venue acceptance standards. We further show that greater automation can obscure rather than eliminate failure modes, making human-governed collaboration the most credible deployment paradigm. Finally, we provide a structured taxonomy, benchmark suite, and tool inventory, cross-stage design principles, and a practitioner-oriented playbook, with resources maintained at our project page.

  • 20 authors
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May 17 1

An Interdisciplinary Comparison of Sequence Modeling Methods for Next-Element Prediction

Data of sequential nature arise in many application domains in forms of, e.g. textual data, DNA sequences, and software execution traces. Different research disciplines have developed methods to learn sequence models from such datasets: (i) in the machine learning field methods such as (hidden) Markov models and recurrent neural networks have been developed and successfully applied to a wide-range of tasks, (ii) in process mining process discovery techniques aim to generate human-interpretable descriptive models, and (iii) in the grammar inference field the focus is on finding descriptive models in the form of formal grammars. Despite their different focuses, these fields share a common goal - learning a model that accurately describes the behavior in the underlying data. Those sequence models are generative, i.e, they can predict what elements are likely to occur after a given unfinished sequence. So far, these fields have developed mainly in isolation from each other and no comparison exists. This paper presents an interdisciplinary experimental evaluation that compares sequence modeling techniques on the task of next-element prediction on four real-life sequence datasets. The results indicate that machine learning techniques that generally have no aim at interpretability in terms of accuracy outperform techniques from the process mining and grammar inference fields that aim to yield interpretable models.

  • 3 authors
·
Oct 31, 2018

Can Coding Agents Reproduce Findings in Computational Materials Science?

Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is unclear whether such success transfers to computational scientific workflows, where tasks require not only strong coding ability, but also the ability to navigate complex, domain-specific procedures and to interpret results in the context of scientific claims. To address this question, we present AutoMat, a benchmark for evaluating LLM-based agents' ability to reproduce claims from computational materials science. AutoMat poses three interrelated challenges: recovering underspecified computational procedures, navigating specialized toolchains, and determining whether the resulting evidence supports a claim. By working closely with subject matter experts, we curate a set of claims from real materials science papers to test whether coding agents can recover and execute the end-to-end workflow needed to support (or undermine) such claims. We then evaluate multiple representative coding agent settings across several foundation models. Our results show that current LLM-based agents obtain low overall success rates on AutoMat, with the best-performing setting achieving a success rate of only 54.1%. Error analysis further reveals that agents perform worst when workflows must be reconstructed from paper text alone and that they fail primarily due to incomplete procedures, methodological deviations, and execution fragility. Taken together, these findings position AutoMat as both a benchmark for computational scientific reproducibility and a tool for diagnosing the current limitations of agentic systems in AI-for-science settings.

  • 18 authors
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Apr 30

OmniForce: On Human-Centered, Large Model Empowered and Cloud-Edge Collaborative AutoML System

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.

  • 28 authors
·
Mar 1, 2023

The Agentic Researcher: A Practical Guide to AI-Assisted Research in Mathematics and Machine Learning

AI tools and agents are reshaping how researchers work, from proving theorems to training neural networks. Yet for many, it remains unclear how these tools fit into everyday research practice. This paper is a practical guide to AI-assisted research in mathematics and machine learning: We discuss how researchers can use modern AI systems productively, where these systems help most, and what kinds of guardrails are needed to use them responsibly. It is organized into three parts: (I) a five-level taxonomy of AI integration, (II) an open-source framework that, through a set of methodological rules formulated as agent prompts, turns CLI coding agents (e.g., Claude Code, Codex CLI, OpenCode) into autonomous research assistants, and (III) case studies from deep learning and mathematics. The framework runs inside a sandboxed container, works with any frontier LLM through existing CLI agents, is simple enough to install and use within minutes, and scales from personal-laptop prototyping to multi-node, multi-GPU experimentation across compute clusters. In practice, our longest autonomous session ran for over 20 hours, dispatching independent experiments across multiple nodes without human intervention. We stress that our framework is not intended to replace the researcher in the loop, but to augment them. Our code is publicly available at https://github.com/ZIB-IOL/The-Agentic-Researcher.

  • 4 authors
·
Mar 15

OutRank: Speeding up AutoML-based Model Search for Large Sparse Data sets with Cardinality-aware Feature Ranking

The design of modern recommender systems relies on understanding which parts of the feature space are relevant for solving a given recommendation task. However, real-world data sets in this domain are often characterized by their large size, sparsity, and noise, making it challenging to identify meaningful signals. Feature ranking represents an efficient branch of algorithms that can help address these challenges by identifying the most informative features and facilitating the automated search for more compact and better-performing models (AutoML). We introduce OutRank, a system for versatile feature ranking and data quality-related anomaly detection. OutRank was built with categorical data in mind, utilizing a variant of mutual information that is normalized with regard to the noise produced by features of the same cardinality. We further extend the similarity measure by incorporating information on feature similarity and combined relevance. The proposed approach's feasibility is demonstrated by speeding up the state-of-the-art AutoML system on a synthetic data set with no performance loss. Furthermore, we considered a real-life click-through-rate prediction data set where it outperformed strong baselines such as random forest-based approaches. The proposed approach enables exploration of up to 300% larger feature spaces compared to AutoML-only approaches, enabling faster search for better models on off-the-shelf hardware.

  • 2 authors
·
Sep 4, 2023

GUIDE: Graphical User Interface Data for Execution

In this paper, we introduce GUIDE, a novel dataset tailored for the advancement of Multimodal Large Language Model (MLLM) applications, particularly focusing on Robotic Process Automation (RPA) use cases. Our dataset encompasses diverse data from various websites including Apollo(62.67\%), Gmail(3.43\%), Calendar(10.98\%) and Canva(22.92\%). Each data entry includes an image, a task description, the last action taken, CoT and the next action to be performed along with grounding information of where the action needs to be executed. The data is collected using our in-house advanced annotation tool NEXTAG (Next Action Grounding and Annotation Tool). The data is adapted for multiple OS, browsers and display types. It is collected by multiple annotators to capture the variation of design and the way person uses a website. Through this dataset, we aim to facilitate research and development in the realm of LLMs for graphical user interfaces, particularly in tasks related to RPA. The dataset's multi-platform nature and coverage of diverse websites enable the exploration of cross-interface capabilities in automation tasks. We believe that our dataset will serve as a valuable resource for advancing the capabilities of multi-platform LLMs in practical applications, fostering innovation in the field of automation and natural language understanding. Using GUIDE, we build V-Zen, the first RPA model to automate multiple websites using our in-House Automation tool AUTONODE

  • 5 authors
·
Apr 9, 2024

Generating Synergistic Formulaic Alpha Collections via Reinforcement Learning

In the field of quantitative trading, it is common practice to transform raw historical stock data into indicative signals for the market trend. Such signals are called alpha factors. Alphas in formula forms are more interpretable and thus favored by practitioners concerned with risk. In practice, a set of formulaic alphas is often used together for better modeling precision, so we need to find synergistic formulaic alpha sets that work well together. However, most traditional alpha generators mine alphas one by one separately, overlooking the fact that the alphas would be combined later. In this paper, we propose a new alpha-mining framework that prioritizes mining a synergistic set of alphas, i.e., it directly uses the performance of the downstream combination model to optimize the alpha generator. Our framework also leverages the strong exploratory capabilities of reinforcement learning~(RL) to better explore the vast search space of formulaic alphas. The contribution to the combination models' performance is assigned to be the return used in the RL process, driving the alpha generator to find better alphas that improve upon the current set. Experimental evaluations on real-world stock market data demonstrate both the effectiveness and the efficiency of our framework for stock trend forecasting. The investment simulation results show that our framework is able to achieve higher returns compared to previous approaches.

  • 7 authors
·
May 25, 2023

Large Language Models for Automated Data Science: Introducing CAAFE for Context-Aware Automated Feature Engineering

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}.

  • 3 authors
·
May 5, 2023

Self-Evolving Recommendation System: End-To-End Autonomous Model Optimization With LLM Agents

Optimizing large-scale machine learning systems, such as recommendation models for global video platforms, requires navigating a massive hyperparameter search space and, more critically, designing sophisticated optimizers, architectures, and reward functions to capture nuanced user behaviors. Achieving substantial improvements in these areas is a non-trivial task, traditionally relying on extensive manual iterations to test new hypotheses. We propose a self-evolving system that leverages Large Language Models (LLMs), specifically those from Google's Gemini family, to autonomously generate, train, and deploy high-performing, complex model changes within an end-to-end automated workflow. The self-evolving system is comprised of an Offline Agent (Inner Loop) that performs high-throughput hypothesis generation using proxy metrics, and an Online Agent (Outer Loop) that validates candidates against delayed north star business metrics in live production. Our agents act as specialized Machine Learning Engineers (MLEs): they exhibit deep reasoning capabilities, discovering novel improvements in optimization algorithms and model architecture, and formulating innovative reward functions that target long-term user engagement. The effectiveness of this approach is demonstrated through several successful production launches at YouTube, confirming that autonomous, LLM-driven evolution can surpass traditional engineering workflows in both development velocity and model performance.

  • 5 authors
·
Feb 10