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Dec 26

DAComp: Benchmarking Data Agents across the Full Data Intelligence Lifecycle

Real-world enterprise data intelligence workflows encompass data engineering that turns raw sources into analytical-ready tables and data analysis that convert those tables into decision-oriented insights. We introduce DAComp, a benchmark of 210 tasks that mirrors these complex workflows. Data engineering (DE) tasks require repository-level engineering on industrial schemas, including designing and building multi-stage SQL pipelines from scratch and evolving existing systems under evolving requirements. Data analysis (DA) tasks pose open-ended business problems that demand strategic planning, exploratory analysis through iterative coding, interpretation of intermediate results, and the synthesis of actionable recommendations. Engineering tasks are scored through execution-based, multi-metric evaluation. Open-ended tasks are assessed by a reliable, experimentally validated LLM-judge, which is guided by hierarchical, meticulously crafted rubrics. Our experiments reveal that even state-of-the-art agents falter on DAComp. Performance on DE tasks is particularly low, with success rates under 20%, exposing a critical bottleneck in holistic pipeline orchestration, not merely code generation. Scores on DA tasks also average below 40%, highlighting profound deficiencies in open-ended reasoning and demonstrating that engineering and analysis are distinct capabilities. By clearly diagnosing these limitations, DAComp provides a rigorous and realistic testbed to drive the development of truly capable autonomous data agents for enterprise settings. Our data and code are available at https://da-comp.github.io

GenoTEX: A Benchmark for Automated Gene Expression Data Analysis in Alignment with Bioinformaticians

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

  • 4 authors
·
Jun 21, 2024

PublicAgent: Multi-Agent Design Principles From an LLM-Based Open Data Analysis Framework

Open data repositories hold potential for evidence-based decision-making, yet are inaccessible to non-experts lacking expertise in dataset discovery, schema mapping, and statistical analysis. Large language models show promise for individual tasks, but end-to-end analytical workflows expose fundamental limitations: attention dilutes across growing contexts, specialized reasoning patterns interfere, and errors propagate undetected. We present PublicAgent, a multi-agent framework that addresses these limitations through decomposition into specialized agents for intent clarification, dataset discovery, analysis, and reporting. This architecture maintains focused attention within agent contexts and enables validation at each stage. Evaluation across five models and 50 queries derives five design principles for multi-agent LLM systems. First, specialization provides value independent of model strength--even the strongest model shows 97.5% agent win rates, with benefits orthogonal to model scale. Second, agents divide into universal (discovery, analysis) and conditional (report, intent) categories. Universal agents show consistent effectiveness (std dev 12.4%) while conditional agents vary by model (std dev 20.5%). Third, agents mitigate distinct failure modes--removing discovery or analysis causes catastrophic failures (243-280 instances), while removing report or intent causes quality degradation. Fourth, architectural benefits persist across task complexity with stable win rates (86-92% analysis, 84-94% discovery), indicating workflow management value rather than reasoning enhancement. Fifth, wide variance in agent effectiveness across models (42-96% for analysis) requires model-aware architecture design. These principles guide when and why specialization is necessary for complex analytical workflows while enabling broader access to public data through natural language interfaces.

  • 3 authors
·
Nov 4

Scaling Generalist Data-Analytic Agents

Data-analytic agents are emerging as a key catalyst for automated scientific discovery and for the vision of Innovating AI. Current approaches, however, rely heavily on prompt engineering over proprietary models, while open-source models struggle to face diverse-format, large-scale data files and long-horizon, multi-step reasoning that real-world analytics demands. This paper introduces DataMind, a scalable data synthesis and agent training recipe designed to build generalist data-analytic agents. DataMind tackles three key challenges in building open-source data-analytic agents, including insufficient data resources, improper training strategy, and unstable code-based multi-turn rollout. Concretely, DataMind applies 1) a fine-grained task taxonomy and a recursive easy-to-hard task composition mechanism to increase the diversity and difficulty of synthesized queries; 2) a knowledge-augmented trajectory sampling strategy followed by model-based and rule-based filtering; 3) a dynamically adjustable training objective combining both SFT and RL losses; 4) a memory-frugal and stable code-based multi-turn rollout framework. Built on DataMind, we curate DataMind-12K, a high-quality trajectory set spanning diverse domains, task categories, and data file formats for data-analytic tasks. Trained on DataMind-12K, our DataMind-14B achieves state-of-the-art with an average score of 71.16% on multiple data analysis benchmarks, outperforming the strongest proprietary baselines DeepSeek-V3.1 and GPT-5. Our DataMind-7B also performs best among all open-source models with a score of 68.10%. We also incorporate some empirical insights gained from our exploratory trials into the analysis experiments, aiming to provide actionable insights about agentic training for the community. We will release DataMind-12K and DataMind-7B,14B for the community's future research.

Qwen Qwen
·
Sep 29 2

AutoClimDS: Climate Data Science Agentic AI -- A Knowledge Graph is All You Need

Climate data science faces persistent barriers stemming from the fragmented nature of data sources, heterogeneous formats, and the steep technical expertise required to identify, acquire, and process datasets. These challenges limit participation, slow discovery, and reduce the reproducibility of scientific workflows. In this paper, we present a proof of concept for addressing these barriers through the integration of a curated knowledge graph (KG) with AI agents designed for cloud-native scientific workflows. The KG provides a unifying layer that organizes datasets, tools, and workflows, while AI agents -- powered by generative AI services -- enable natural language interaction, automated data access, and streamlined analysis. Together, these components drastically lower the technical threshold for engaging in climate data science, enabling non-specialist users to identify and analyze relevant datasets. By leveraging existing cloud-ready API data portals, we demonstrate that "a knowledge graph is all you need" to unlock scalable and agentic workflows for scientific inquiry. The open-source design of our system further supports community contributions, ensuring that the KG and associated tools can evolve as a shared commons. Our results illustrate a pathway toward democratizing access to climate data and establishing a reproducible, extensible framework for human--AI collaboration in scientific research.

  • 8 authors
·
Sep 25

LAMBDA: A Large Model Based Data Agent

We introduce ``LAMBDA," a novel open-source, code-free multi-agent data analysis system that that harnesses the power of large models. LAMBDA is designed to address data analysis challenges in complex data-driven applications through the use of innovatively designed data agents that operate iteratively and generatively using natural language. At the core of LAMBDA are two key agent roles: the programmer and the inspector, which are engineered to work together seamlessly. Specifically, the programmer generates code based on the user's instructions and domain-specific knowledge, enhanced by advanced models. Meanwhile, the inspector debugs the code when necessary. To ensure robustness and handle adverse scenarios, LAMBDA features a user interface that allows direct user intervention in the operational loop. Additionally, LAMBDA can flexibly integrate external models and algorithms through our knowledge integration mechanism, catering to the needs of customized data analysis. LAMBDA has demonstrated strong performance on various machine learning datasets. It has the potential to enhance data science practice and analysis paradigm by seamlessly integrating human and artificial intelligence, making it more accessible, effective, and efficient for individuals from diverse backgrounds. The strong performance of LAMBDA in solving data science problems is demonstrated in several case studies, which are presented at https://www.polyu.edu.hk/ama/cmfai/lambda.html.

  • 7 authors
·
Jul 24, 2024 2

InsightBench: Evaluating Business Analytics Agents Through Multi-Step Insight Generation

Data analytics is essential for extracting valuable insights from data that can assist organizations in making effective decisions. We introduce InsightBench, a benchmark dataset with three key features. First, it consists of 100 datasets representing diverse business use cases such as finance and incident management, each accompanied by a carefully curated set of insights planted in the datasets. Second, unlike existing benchmarks focusing on answering single queries, InsightBench evaluates agents based on their ability to perform end-to-end data analytics, including formulating questions, interpreting answers, and generating a summary of insights and actionable steps. Third, we conducted comprehensive quality assurance to ensure that each dataset in the benchmark had clear goals and included relevant and meaningful questions and analysis. Furthermore, we implement a two-way evaluation mechanism using LLaMA-3 as an effective, open-source evaluator to assess agents' ability to extract insights. We also propose AgentPoirot, our baseline data analysis agent capable of performing end-to-end data analytics. Our evaluation on InsightBench shows that AgentPoirot outperforms existing approaches (such as Pandas Agent) that focus on resolving single queries. We also compare the performance of open- and closed-source LLMs and various evaluation strategies. Overall, this benchmark serves as a testbed to motivate further development in comprehensive automated data analytics and can be accessed here: https://github.com/ServiceNow/insight-bench.

  • 14 authors
·
Jul 8, 2024

ReplicationBench: Can AI Agents Replicate Astrophysics Research Papers?

Frontier AI agents show increasing promise as scientific research assistants, and may eventually be useful for extended, open-ended research workflows. However, in order to use agents for novel research, we must first assess the underlying faithfulness and correctness of their work. To evaluate agents as research assistants, we introduce ReplicationBench, an evaluation framework that tests whether agents can replicate entire research papers drawn from the astrophysics literature. Astrophysics, where research relies heavily on archival data and computational study while requiring little real-world experimentation, is a particularly useful testbed for AI agents in scientific research. We split each paper into tasks which require agents to replicate the paper's core contributions, including the experimental setup, derivations, data analysis, and codebase. Each task is co-developed with the original paper authors and targets a key scientific result, enabling objective evaluation of both faithfulness (adherence to original methods) and correctness (technical accuracy of results). ReplicationBench is extremely challenging for current frontier language models: even the best-performing language models score under 20%. We analyze ReplicationBench trajectories in collaboration with domain experts and find a rich, diverse set of failure modes for agents in scientific research. ReplicationBench establishes the first benchmark of paper-scale, expert-validated astrophysics research tasks, reveals insights about agent performance generalizable to other domains of data-driven science, and provides a scalable framework for measuring AI agents' reliability in scientific research.

Can AI Freelancers Compete? Benchmarking Earnings, Reliability, and Task Success at Scale

This study explores Large Language Models (LLMs) as autonomous agents for real-world tasks, including freelance software development. This work presents a new benchmark that evaluates LLMs on freelance programming and data analysis tasks derived from economic data. We construct the benchmark using synthetic tasks created from a Kaggle Freelancer dataset of job postings, with all job prices standardized to USD (median fixed-project price around 250, and an average of 306). Each task is accompanied by structured input-output test cases and an estimated price tag, enabling automated correctness checking and a monetary performance valuation. This approach is inspired by OpenAI's recent SWE-Lancer benchmark (1,400 real Upwork tasks worth 1M total). Still, our framework simplifies evaluation using programmatically testable tasks and predicted price values, making it highly scalable and repeatable. On this benchmark, we evaluate four modern LLMs - Claude 3.5 Haiku, GPT-4o-mini, Qwen 2.5, and Mistral. We report each model's accuracy (task success rate and test-case pass rate) and the total "freelance earnings" it achieves (sum of prices of solved tasks). Our results show that Claude 3.5 Haiku performs best, earning approximately 1.52 million USD, followed closely by GPT-4o-mini at 1.49 million, then Qwen 2.5 (1.33M) and Mistral ($0.70M). We analyze the distribution of errors per task and observe that the strongest models solve the most tasks and rarely fail completely on any project. We discuss the implications of these results for the feasibility of AI as a freelance developer, the advantages and limitations of our automated benchmark approach, and the gap between performance on structured tasks versus the true complexity of real-world freelance jobs.

  • 2 authors
·
May 16 2

A Survey of AI Agent Protocols

The rapid development of large language models (LLMs) has led to the widespread deployment of LLM agents across diverse industries, including customer service, content generation, data analysis, and even healthcare. However, as more LLM agents are deployed, a major issue has emerged: there is no standard way for these agents to communicate with external tools or data sources. This lack of standardized protocols makes it difficult for agents to work together or scale effectively, and it limits their ability to tackle complex, real-world tasks. A unified communication protocol for LLM agents could change this. It would allow agents and tools to interact more smoothly, encourage collaboration, and triggering the formation of collective intelligence. In this paper, we provide the first comprehensive analysis of existing agent protocols, proposing a systematic two-dimensional classification that differentiates context-oriented versus inter-agent protocols and general-purpose versus domain-specific protocols. Additionally, we conduct a comparative performance analysis of these protocols across key dimensions such as security, scalability, and latency. Finally, we explore the future landscape of agent protocols by identifying critical research directions and characteristics necessary for next-generation protocols. These characteristics include adaptability, privacy preservation, and group-based interaction, as well as trends toward layered architectures and collective intelligence infrastructures. We expect this work to serve as a practical reference for both researchers and engineers seeking to design, evaluate, or integrate robust communication infrastructures for intelligent agents.

  • 14 authors
·
Apr 23

BLADE: Benchmarking Language Model Agents for Data-Driven Science

Data-driven scientific discovery requires the iterative integration of scientific domain knowledge, statistical expertise, and an understanding of data semantics to make nuanced analytical decisions, e.g., about which variables, transformations, and statistical models to consider. LM-based agents equipped with planning, memory, and code execution capabilities have the potential to support data-driven science. However, evaluating agents on such open-ended tasks is challenging due to multiple valid approaches, partially correct steps, and different ways to express the same decisions. To address these challenges, we present BLADE, a benchmark to automatically evaluate agents' multifaceted approaches to open-ended research questions. BLADE consists of 12 datasets and research questions drawn from existing scientific literature, with ground truth collected from independent analyses by expert data scientists and researchers. To automatically evaluate agent responses, we developed corresponding computational methods to match different representations of analyses to this ground truth. Though language models possess considerable world knowledge, our evaluation shows that they are often limited to basic analyses. However, agents capable of interacting with the underlying data demonstrate improved, but still non-optimal, diversity in their analytical decision making. Our work enables the evaluation of agents for data-driven science and provides researchers deeper insights into agents' analysis approaches.

  • 16 authors
·
Aug 18, 2024

Data Mixing Agent: Learning to Re-weight Domains for Continual Pre-training

Continual pre-training on small-scale task-specific data is an effective method for improving large language models in new target fields, yet it risks catastrophic forgetting of their original capabilities. A common solution is to re-weight training data mixtures from source and target fields on a domain space to achieve balanced performance. Previous domain reweighting strategies rely on manual designation with certain heuristics based on human intuition or empirical results. In this work, we prove that more general heuristics can be parameterized by proposing Data Mixing Agent, the first model-based, end-to-end framework that learns to re-weight domains. The agent learns generalizable heuristics through reinforcement learning on large quantities of data mixing trajectories with corresponding feedback from an evaluation environment. Experiments in continual pre-training on math reasoning show that Data Mixing Agent outperforms strong baselines in achieving balanced performance across source and target field benchmarks. Furthermore, it generalizes well across unseen source fields, target models, and domain spaces without retraining. Direct application to the code generation field also indicates its adaptability across target domains. Further analysis showcases the agents' well-aligned heuristics with human intuitions and their efficiency in achieving superior model performance with less source-field data.

  • 7 authors
·
Jul 21 1

A Survey of Data Agents: Emerging Paradigm or Overstated Hype?

The rapid advancement of large language models (LLMs) has spurred the emergence of data agents--autonomous systems designed to orchestrate Data + AI ecosystems for tackling complex data-related tasks. However, the term "data agent" currently suffers from terminological ambiguity and inconsistent adoption, conflating simple query responders with sophisticated autonomous architectures. This terminological ambiguity fosters mismatched user expectations, accountability challenges, and barriers to industry growth. Inspired by the SAE J3016 standard for driving automation, this survey introduces the first systematic hierarchical taxonomy for data agents, comprising six levels that delineate and trace progressive shifts in autonomy, from manual operations (L0) to a vision of generative, fully autonomous data agents (L5), thereby clarifying capability boundaries and responsibility allocation. Through this lens, we offer a structured review of existing research arranged by increasing autonomy, encompassing specialized data agents for data management, preparation, and analysis, alongside emerging efforts toward versatile, comprehensive systems with enhanced autonomy. We further analyze critical evolutionary leaps and technical gaps for advancing data agents, especially the ongoing L2-to-L3 transition, where data agents evolve from procedural execution to autonomous orchestration. Finally, we conclude with a forward-looking roadmap, envisioning the advent of proactive, generative data agents.

Mind the Goal: Data-Efficient Goal-Oriented Evaluation of Conversational Agents and Chatbots using Teacher Models

Evaluating the quality of multi-turn chatbot interactions remains challenging, as most existing methods assess interactions at the turn level without addressing whether a user's overarching goal was fulfilled. A ``goal'' here refers to an information need or task, such as asking for policy information or applying for leave. We propose a comprehensive framework for goal-oriented evaluation of multi-agent systems (MAS), introducing the Goal Success Rate (GSR) to measure the percentage of fulfilled goals, and a Root Cause of Failure (RCOF) taxonomy to identify reasons for failure in multi-agent chatbots. Our method segments conversations by user goals and evaluates success using all relevant turns. We present a model-based evaluation system combining teacher LLMs, where domain experts define goals, set quality standards serving as a guidance for the LLMs. The LLMs use ``thinking tokens'' to produce interpretable rationales, enabling explainable, data-efficient evaluations. In an enterprise setting, we apply our framework to evaluate AIDA, a zero-to-one employee conversational agent system built as a ground-up multi-agent conversational agent, and observe GSR improvement from 63\% to 79\% over six months since its inception. Our framework is generic and offers actionable insights through a detailed defect taxonomy based on analysis of failure points in multi-agent chatbots, diagnosing overall success, identifying key failure modes, and informing system improvements.

FinDeepResearch: Evaluating Deep Research Agents in Rigorous Financial Analysis

Deep Research (DR) agents, powered by advanced Large Language Models (LLMs), have recently garnered increasing attention for their capability in conducting complex research tasks. However, existing literature lacks a rigorous and systematic evaluation of DR Agent's capabilities in critical research analysis. To address this gap, we first propose HisRubric, a novel evaluation framework with a hierarchical analytical structure and a fine-grained grading rubric for rigorously assessing DR agents' capabilities in corporate financial analysis. This framework mirrors the professional analyst's workflow, progressing from data recognition to metric calculation, and finally to strategic summarization and interpretation. Built on this framework, we construct a FinDeepResearch benchmark that comprises 64 listed companies from 8 financial markets across 4 languages, encompassing a total of 15,808 grading items. We further conduct extensive experiments on the FinDeepResearch using 16 representative methods, including 6 DR agents, 5 LLMs equipped with both deep reasoning and search capabilities, and 5 LLMs with deep reasoning capabilities only. The results reveal the strengths and limitations of these approaches across diverse capabilities, financial markets, and languages, offering valuable insights for future research and development. The benchmark and evaluation code will be made publicly available.

  • 22 authors
·
Oct 15

FLAMES: Improving LLM Math Reasoning via a Fine-Grained Analysis of the Data Synthesis Pipeline

Recent works improving LLM math reasoning with synthetic data have used unique setups, making comparison of data synthesis strategies impractical. This leaves many unanswered questions about the roles of different factors in the synthetic data pipeline, such as the impact of filtering low-quality problems. To address this gap, we introduce FLAMES, a Framework for LLM Assessment of Math rEasoning Data Synthesis, and perform a systematic study of 10 existing data synthesis strategies and multiple other factors impacting the performance of synthetic math reasoning data. Our FLAMES experiments provide several valuable insights about the optimal balance of difficulty and diversity of synthetic data. First, data agents designed to increase problem complexity lead to best improvements on most math metrics. Second, with a fixed data generation budget, keeping higher problem coverage is more important than keeping only problems with reliable solutions. Third, GSM8K- and MATH-based synthetic data can lead to improvements on competition-level benchmarks, showcasing easy-to-hard generalization. Leveraging insights from our FLAMES experiments, we design two novel data synthesis strategies for improving out-of-domain generalization and robustness. Further, we develop the FLAMES dataset, an effective blend of our novel and existing data synthesis strategies, outperforming public datasets on OlympiadBench (+15.7), CollegeMath (+4.5), GSMPlus (+6.5), and MATH (+3.1). Fine-tuning Qwen2.5-Math-7B on the FLAMES dataset achieves 81.4% on MATH, surpassing larger Llama3 405B, GPT-4o and Claude 3.5 Sonnet.

amazon Amazon
·
Aug 22 1

On the Effects of Data Scale on Computer Control Agents

Autonomous agents that control computer interfaces to accomplish human tasks are emerging. Leveraging LLMs to power such agents has been of special interest, but unless fine-tuned on human-collected task demonstrations, performance is still relatively low. In this work we study whether fine-tuning alone is a viable approach for building real-world computer control agents. %In particularly, we investigate how performance measured on both high and low-level tasks in domain and out of domain scales as more training data is collected. To this end we collect and release a new dataset, AndroidControl, consisting of 15,283 demonstrations of everyday tasks with Android apps. Compared to existing datasets, each AndroidControl task instance includes both high and low-level human-generated instructions, allowing us to explore the level of task complexity an agent can handle. Moreover, AndroidControl is the most diverse computer control dataset to date, including 15,283 unique tasks over 833 Android apps, thus allowing us to conduct in-depth analysis of the model performance in and out of the domain of the training data. Using the dataset, we find that when tested in domain fine-tuned models outperform zero and few-shot baselines and scale in such a way that robust performance might feasibly be obtained simply by collecting more data. Out of domain, performance scales significantly more slowly and suggests that in particular for high-level tasks, fine-tuning on more data alone may be insufficient for achieving robust out-of-domain performance.

  • 7 authors
·
Jun 5, 2024

GraphMaster: Automated Graph Synthesis via LLM Agents in Data-Limited Environments

The era of foundation models has revolutionized AI research, yet Graph Foundation Models (GFMs) remain constrained by the scarcity of large-scale graph corpora. Traditional graph data synthesis techniques primarily focus on simplistic structural operations, lacking the capacity to generate semantically rich nodes with meaningful textual attributes: a critical limitation for real-world applications. While large language models (LLMs) demonstrate exceptional text generation capabilities, their direct application to graph synthesis is impeded by context window limitations, hallucination phenomena, and structural consistency challenges. To address these issues, we introduce GraphMaster, the first multi-agent framework specifically designed for graph data synthesis in data-limited environments. GraphMaster orchestrates four specialized LLM agents (Manager, Perception, Enhancement, and Evaluation) that collaboratively optimize the synthesis process through iterative refinement, ensuring both semantic coherence and structural integrity. To rigorously evaluate our approach, we create new data-limited "Sub" variants of six standard graph benchmarks, specifically designed to test synthesis capabilities under realistic constraints. Additionally, we develop a novel interpretability assessment framework that combines human evaluation with a principled Grassmannian manifold-based analysis, providing both qualitative and quantitative measures of semantic coherence. Experimental results demonstrate that GraphMaster significantly outperforms traditional synthesis methods across multiple datasets, establishing a strong foundation for advancing GFMs in data-scarce environments.

  • 6 authors
·
Apr 1

OmniJARVIS: Unified Vision-Language-Action Tokenization Enables Open-World Instruction Following Agents

We present OmniJARVIS, a novel Vision-Language-Action (VLA) model for open-world instruction-following agents in open-world Minecraft. Compared to prior works that either emit textual goals to separate controllers or produce the control command directly, OmniJARVIS seeks a different path to ensure both strong reasoning and efficient decision-making capabilities via unified tokenization of multimodal interaction data. First, we introduce a self-supervised approach to learn a behavior encoder that produces discretized tokens for behavior trajectories tau = {o_0, a_0, dots} and an imitation learning (IL) policy decoder conditioned on these tokens. These additional behavior tokens will be augmented to the vocabulary of pretrained Multimodal Language Models (MLMs). With this encoder, we then pack long-term multimodal interactions involving task instructions, memories, thoughts, observations, textual responses, behavior trajectories, etc. into unified token sequences and model them with autoregressive transformers. Thanks to the semantically meaningful behavior tokens, the resulting VLA model, OmniJARVIS, can reason (by producing chain-of-thoughts), plan, answer questions, and act (by producing behavior tokens for the IL policy decoder). OmniJARVIS demonstrates excellent performances on a comprehensive collection of atomic, programmatic, and open-ended tasks in open-world Minecraft. Our analysis further unveils the crucial design principles in interaction data formation, unified tokenization, and its scaling potentials.

  • 10 authors
·
Jun 27, 2024 5

TradingGroup: A Multi-Agent Trading System with Self-Reflection and Data-Synthesis

Recent advancements in large language models (LLMs) have enabled powerful agent-based applications in finance, particularly for sentiment analysis, financial report comprehension, and stock forecasting. However, existing systems often lack inter-agent coordination, structured self-reflection, and access to high-quality, domain-specific post-training data such as data from trading activities including both market conditions and agent decisions. These data are crucial for agents to understand the market dynamics, improve the quality of decision-making and promote effective coordination. We introduce TradingGroup, a multi-agent trading system designed to address these limitations through a self-reflective architecture and an end-to-end data-synthesis pipeline. TradingGroup consists of specialized agents for news sentiment analysis, financial report interpretation, stock trend forecasting, trading style adaptation, and a trading decision making agent that merges all signals and style preferences to produce buy, sell or hold decisions. Specifically, we design self-reflection mechanisms for the stock forecasting, style, and decision-making agents to distill past successes and failures for similar reasoning in analogous future scenarios and a dynamic risk-management model to offer configurable dynamic stop-loss and take-profit mechanisms. In addition, TradingGroup embeds an automated data-synthesis and annotation pipeline that generates high-quality post-training data for further improving the agent performance through post-training. Our backtesting experiments across five real-world stock datasets demonstrate TradingGroup's superior performance over rule-based, machine learning, reinforcement learning, and existing LLM-based trading strategies.

  • 3 authors
·
Aug 24

TimeSeriesScientist: A General-Purpose AI Agent for Time Series Analysis

Time series forecasting is central to decision-making in domains as diverse as energy, finance, climate, and public health. In practice, forecasters face thousands of short, noisy series that vary in frequency, quality, and horizon, where the dominant cost lies not in model fitting, but in the labor-intensive preprocessing, validation, and ensembling required to obtain reliable predictions. Prevailing statistical and deep learning models are tailored to specific datasets or domains and generalize poorly. A general, domain-agnostic framework that minimizes human intervention is urgently in demand. In this paper, we introduce TimeSeriesScientist (TSci), the first LLM-driven agentic framework for general time series forecasting. The framework comprises four specialized agents: Curator performs LLM-guided diagnostics augmented by external tools that reason over data statistics to choose targeted preprocessing; Planner narrows the hypothesis space of model choice by leveraging multi-modal diagnostics and self-planning over the input; Forecaster performs model fitting and validation and, based on the results, adaptively selects the best model configuration as well as ensemble strategy to make final predictions; and Reporter synthesizes the whole process into a comprehensive, transparent report. With transparent natural-language rationales and comprehensive reports, TSci transforms the forecasting workflow into a white-box system that is both interpretable and extensible across tasks. Empirical results on eight established benchmarks demonstrate that TSci consistently outperforms both statistical and LLM-based baselines, reducing forecast error by an average of 10.4% and 38.2%, respectively. Moreover, TSci produces a clear and rigorous report that makes the forecasting workflow more transparent and interpretable.

  • 7 authors
·
Oct 1 2

Windows Agent Arena: Evaluating Multi-Modal OS Agents at Scale

Large language models (LLMs) show remarkable potential to act as computer agents, enhancing human productivity and software accessibility in multi-modal tasks that require planning and reasoning. However, measuring agent performance in realistic environments remains a challenge since: (i) most benchmarks are limited to specific modalities or domains (e.g. text-only, web navigation, Q&A, coding) and (ii) full benchmark evaluations are slow (on order of magnitude of days) given the multi-step sequential nature of tasks. To address these challenges, we introduce the Windows Agent Arena: a reproducible, general environment focusing exclusively on the Windows operating system (OS) where agents can operate freely within a real Windows OS and use the same wide range of applications, tools, and web browsers available to human users when solving tasks. We adapt the OSWorld framework (Xie et al., 2024) to create 150+ diverse Windows tasks across representative domains that require agent abilities in planning, screen understanding, and tool usage. Our benchmark is scalable and can be seamlessly parallelized in Azure for a full benchmark evaluation in as little as 20 minutes. To demonstrate Windows Agent Arena's capabilities, we also introduce a new multi-modal agent, Navi. Our agent achieves a success rate of 19.5% in the Windows domain, compared to 74.5% performance of an unassisted human. Navi also demonstrates strong performance on another popular web-based benchmark, Mind2Web. We offer extensive quantitative and qualitative analysis of Navi's performance, and provide insights into the opportunities for future research in agent development and data generation using Windows Agent Arena. Webpage: https://microsoft.github.io/WindowsAgentArena Code: https://github.com/microsoft/WindowsAgentArena

  • 11 authors
·
Sep 12, 2024 2

Repurposing Synthetic Data for Fine-grained Search Agent Supervision

LLM-based search agents are increasingly trained on entity-centric synthetic data to solve complex, knowledge-intensive tasks. However, prevailing training methods like Group Relative Policy Optimization (GRPO) discard this rich entity information, relying instead on sparse, outcome-based rewards. This critical limitation renders them unable to distinguish informative "near-miss" samples-those with substantially correct reasoning but a flawed final answer-from complete failures, thus discarding valuable learning signals. We address this by leveraging the very entities discarded during training. Our empirical analysis reveals a strong positive correlation between the number of ground-truth entities identified during an agent's reasoning process and final answer accuracy. Building on this insight, we introduce Entity-aware Group Relative Policy Optimization (E-GRPO), a novel framework that formulates a dense entity-aware reward function. E-GRPO assigns partial rewards to incorrect samples proportional to their entity match rate, enabling the model to effectively learn from these "near-misses". Experiments on diverse question-answering (QA) and deep research benchmarks show that E-GRPO consistently and significantly outperforms the GRPO baseline. Furthermore, our analysis reveals that E-GRPO not only achieves superior accuracy but also induces more efficient reasoning policies that require fewer tool calls, demonstrating a more effective and sample-efficient approach to aligning search agents.

AlibabaTongyiLab TongyiLab
·
Oct 28 2

RE-Bench: Evaluating frontier AI R&D capabilities of language model agents against human experts

Frontier AI safety policies highlight automation of AI research and development (R&D) by AI agents as an important capability to anticipate. However, there exist few evaluations for AI R&D capabilities, and none that are highly realistic and have a direct comparison to human performance. We introduce RE-Bench (Research Engineering Benchmark, v1), which consists of 7 challenging, open-ended ML research engineering environments and data from 71 8-hour attempts by 61 distinct human experts. We confirm that our experts make progress in the environments given 8 hours, with 82% of expert attempts achieving a non-zero score and 24% matching or exceeding our strong reference solutions. We compare humans to several public frontier models through best-of-k with varying time budgets and agent designs, and find that the best AI agents achieve a score 4x higher than human experts when both are given a total time budget of 2 hours per environment. However, humans currently display better returns to increasing time budgets, narrowly exceeding the top AI agent scores given an 8-hour budget, and achieving 2x the score of the top AI agent when both are given 32 total hours (across different attempts). Qualitatively, we find that modern AI agents possess significant expertise in many ML topics -- e.g. an agent wrote a faster custom Triton kernel than any of our human experts' -- and can generate and test solutions over ten times faster than humans, at much lower cost. We open-source the evaluation environments, human expert data, analysis code and agent trajectories to facilitate future research.

  • 22 authors
·
Nov 22, 2024

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

CellAgent: An LLM-driven Multi-Agent Framework for Automated Single-cell Data Analysis

Single-cell RNA sequencing (scRNA-seq) data analysis is crucial for biological research, as it enables the precise characterization of cellular heterogeneity. However, manual manipulation of various tools to achieve desired outcomes can be labor-intensive for researchers. To address this, we introduce CellAgent (http://cell.agent4science.cn/), an LLM-driven multi-agent framework, specifically designed for the automatic processing and execution of scRNA-seq data analysis tasks, providing high-quality results with no human intervention. Firstly, to adapt general LLMs to the biological field, CellAgent constructs LLM-driven biological expert roles - planner, executor, and evaluator - each with specific responsibilities. Then, CellAgent introduces a hierarchical decision-making mechanism to coordinate these biological experts, effectively driving the planning and step-by-step execution of complex data analysis tasks. Furthermore, we propose a self-iterative optimization mechanism, enabling CellAgent to autonomously evaluate and optimize solutions, thereby guaranteeing output quality. We evaluate CellAgent on a comprehensive benchmark dataset encompassing dozens of tissues and hundreds of distinct cell types. Evaluation results consistently show that CellAgent effectively identifies the most suitable tools and hyperparameters for single-cell analysis tasks, achieving optimal performance. This automated framework dramatically reduces the workload for science data analyses, bringing us into the "Agent for Science" era.

  • 12 authors
·
Jul 13, 2024

Datarus-R1: An Adaptive Multi-Step Reasoning LLM for Automated Data Analysis

We present Datarus-R1-14B, a 14 B-parameter open-weights language model fine-tuned from Qwen 2.5-14B-Instruct to act as a virtual data analyst and graduate-level problem solver. Datarus is trained not on isolated question-answer pairs but on full analytical trajectories including reasoning steps, code execution, error traces, self-corrections, and final conclusions, all captured in a ReAct-style notebook format spanning finance, medicine, numerical analysis, and other quantitative domains. Our training pipeline combines (i) a trajectory-centric synthetic data generator that yielded 144 000 tagged notebook episodes, (ii) a dual-reward framework blending a lightweight tag-based structural signal with a Hierarchical Reward Model (HRM) that scores both single-step soundness and end-to-end coherence, and (iii) a memory-optimized implementation of Group Relative Policy Optimization (GRPO) featuring KV-cache reuse, sequential generation, and reference-model sharding. A cosine curriculum smoothly shifts emphasis from structural fidelity to semantic depth, reducing the format collapse and verbosity that often plague RL-aligned LLMs. A central design choice in Datarus is it dual reasoning interface. In agentic mode the model produces ReAct-tagged steps that invoke Python tools to execute real code; in reflection mode it outputs compact Chain-of-Thought (CoT) traces delimited by <think> and <answer> tags. On demanding postgraduate-level problems, Datarus exhibits an "AHA-moment" pattern: it sketches hypotheses, revises them once or twice, and converges avoiding the circular, token-inflating loops common to contemporary systems. Across standard public benchmarks Datarus surpasses similar size models and even reaches the level of larger reasoning models such as QwQ-32B achieving up to 30% higher accuracy on AIME 2024/2025 and LiveCodeBench while emitting 18-49% fewer tokens per solution.

  • 2 authors
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Aug 18

Causal-Copilot: An Autonomous Causal Analysis Agent

Causal analysis plays a foundational role in scientific discovery and reliable decision-making, yet it remains largely inaccessible to domain experts due to its conceptual and algorithmic complexity. This disconnect between causal methodology and practical usability presents a dual challenge: domain experts are unable to leverage recent advances in causal learning, while causal researchers lack broad, real-world deployment to test and refine their methods. To address this, we introduce Causal-Copilot, an autonomous agent that operationalizes expert-level causal analysis within a large language model framework. Causal-Copilot automates the full pipeline of causal analysis for both tabular and time-series data -- including causal discovery, causal inference, algorithm selection, hyperparameter optimization, result interpretation, and generation of actionable insights. It supports interactive refinement through natural language, lowering the barrier for non-specialists while preserving methodological rigor. By integrating over 20 state-of-the-art causal analysis techniques, our system fosters a virtuous cycle -- expanding access to advanced causal methods for domain experts while generating rich, real-world applications that inform and advance causal theory. Empirical evaluations demonstrate that Causal-Copilot achieves superior performance compared to existing baselines, offering a reliable, scalable, and extensible solution that bridges the gap between theoretical sophistication and real-world applicability in causal analysis. A live interactive demo of Causal-Copilot is available at https://causalcopilot.com/.

  • 13 authors
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Apr 17 2

Learn-by-interact: A Data-Centric Framework for Self-Adaptive Agents in Realistic Environments

Autonomous agents powered by large language models (LLMs) have the potential to enhance human capabilities, assisting with digital tasks from sending emails to performing data analysis. The abilities of existing LLMs at such tasks are often hindered by the lack of high-quality agent data from the corresponding environments they interact with. We propose Learn-by-interact, a data-centric framework to adapt LLM agents to any given environments without human annotations. Learn-by-interact synthesizes trajectories of agent-environment interactions based on documentations, and constructs instructions by summarizing or abstracting the interaction histories, a process called backward construction. We assess the quality of our synthetic data by using them in both training-based scenarios and training-free in-context learning (ICL), where we craft innovative retrieval approaches optimized for agents. Extensive experiments on SWE-bench, WebArena, OSWorld and Spider2-V spanning across realistic coding, web, and desktop environments show the effectiveness of Learn-by-interact in various downstream agentic tasks -- baseline results are improved by up to 12.2\% for ICL with Claude-3.5 and 19.5\% for training with Codestral-22B. We further demonstrate the critical role of backward construction, which provides up to 14.0\% improvement for training. Our ablation studies demonstrate the efficiency provided by our synthesized data in ICL and the superiority of our retrieval pipeline over alternative approaches like conventional retrieval-augmented generation (RAG). We expect that Learn-by-interact will serve as a foundation for agent data synthesis as LLMs are increasingly deployed at real-world environments.

  • 6 authors
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Jan 18 2

Spider2-V: How Far Are Multimodal Agents From Automating Data Science and Engineering Workflows?

Data science and engineering workflows often span multiple stages, from warehousing to orchestration, using tools like BigQuery, dbt, and Airbyte. As vision language models (VLMs) advance in multimodal understanding and code generation, VLM-based agents could potentially automate these workflows by generating SQL queries, Python code, and GUI operations. This automation can improve the productivity of experts while democratizing access to large-scale data analysis. In this paper, we introduce Spider2-V, the first multimodal agent benchmark focusing on professional data science and engineering workflows, featuring 494 real-world tasks in authentic computer environments and incorporating 20 enterprise-level professional applications. These tasks, derived from real-world use cases, evaluate the ability of a multimodal agent to perform data-related tasks by writing code and managing the GUI in enterprise data software systems. To balance realistic simulation with evaluation simplicity, we devote significant effort to developing automatic configurations for task setup and carefully crafting evaluation metrics for each task. Furthermore, we supplement multimodal agents with comprehensive documents of these enterprise data software systems. Our empirical evaluation reveals that existing state-of-the-art LLM/VLM-based agents do not reliably automate full data workflows (14.0% success). Even with step-by-step guidance, these agents still underperform in tasks that require fine-grained, knowledge-intensive GUI actions (16.2%) and involve remote cloud-hosted workspaces (10.6%). We hope that Spider2-V paves the way for autonomous multimodal agents to transform the automation of data science and engineering workflow. Our code and data are available at https://spider2-v.github.io.

  • 23 authors
·
Jul 15, 2024 2

FDABench: A Benchmark for Data Agents on Analytical Queries over Heterogeneous Data

The growing demand for data-driven decision-making has created an urgent need for data agents that can integrate structured and unstructured data for analysis. While data agents show promise for enabling users to perform complex analytics tasks, this field still suffers from three critical limitations: first, comprehensive data agent benchmarks remain absent due to the difficulty of designing test cases that evaluate agents' abilities across multi-source analytical tasks; second, constructing reliable test cases that combine structured and unstructured data remains costly and prohibitively complex; third, existing benchmarks exhibit limited adaptability and generalizability, resulting in narrow evaluation scope. To address these challenges, we present FDABench, the first data agent benchmark specifically designed for evaluating agents in multi-source data analytical scenarios. Our contributions include: (i) we construct a standardized benchmark with 2,007 diverse tasks across different data sources, domains, difficulty levels, and task types to comprehensively evaluate data agent performance; (ii) we design an agent-expert collaboration framework ensuring reliable and efficient benchmark construction over heterogeneous data; (iii) we equip FDABench with robust generalization capabilities across diverse target systems and frameworks. We use FDABench to evaluate various data agent systems, revealing that each system exhibits distinct advantages and limitations regarding response quality, accuracy, latency, and token cost.

  • 7 authors
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Sep 2

ShapefileGPT: A Multi-Agent Large Language Model Framework for Automated Shapefile Processing

Vector data is one of the two core data structures in geographic information science (GIS), essential for accurately storing and representing geospatial information. Shapefile, the most widely used vector data format, has become the industry standard supported by all major geographic information systems. However, processing this data typically requires specialized GIS knowledge and skills, creating a barrier for researchers from other fields and impeding interdisciplinary research in spatial data analysis. Moreover, while large language models (LLMs) have made significant advancements in natural language processing and task automation, they still face challenges in handling the complex spatial and topological relationships inherent in GIS vector data. To address these challenges, we propose ShapefileGPT, an innovative framework powered by LLMs, specifically designed to automate Shapefile tasks. ShapefileGPT utilizes a multi-agent architecture, in which the planner agent is responsible for task decomposition and supervision, while the worker agent executes the tasks. We developed a specialized function library for handling Shapefiles and provided comprehensive API documentation, enabling the worker agent to operate Shapefiles efficiently through function calling. For evaluation, we developed a benchmark dataset based on authoritative textbooks, encompassing tasks in categories such as geometric operations and spatial queries. ShapefileGPT achieved a task success rate of 95.24%, outperforming the GPT series models. In comparison to traditional LLMs, ShapefileGPT effectively handles complex vector data analysis tasks, overcoming the limitations of traditional LLMs in spatial analysis. This breakthrough opens new pathways for advancing automation and intelligence in the GIS field, with significant potential in interdisciplinary data analysis and application contexts.

  • 9 authors
·
Oct 16, 2024

AgentOrchestra: A Hierarchical Multi-Agent Framework for General-Purpose Task Solving

Recent advances in agent systems have demonstrated remarkable capabilities in solving both general-purpose and highly complex tasks. However, most current models lack mechanisms for coordinating specialized agents and have limited ability to generalize to new or diverse domains. To this end, we introduce AgentOrchestra, a hierarchical multi-agent framework for general-purpose task solving that integrates high-level planning with modular agent collaboration. Drawing inspiration from a conductor orchestrating a symphony, and grounded in the principles of extensibility, multimodality, modularity, and coordination, it features a central planning agent that decomposes complex objectives and delegates sub-tasks to a team of specialized agents. Each sub-agent is equipped with general programming tools, as well as abilities to tackle a wide range of real-world specific tasks, including data analysis, file operations, web navigation, and interactive reasoning in dynamic multimodal environments. Notably, AgentOrchestra introduces an MCP Manager Agent that enables intelligent evolution through dynamic tool creation, retrieval, and reuse mechanisms, significantly enhancing the system's adaptability and scalability. AgentOrchestra supports flexible orchestration through explicit sub-goal formulation, inter-agent communication, and adaptive role allocation. We evaluate the framework on three widely used benchmarks for assessing LLM-based agent systems. Experimental results show that AgentOrchestra consistently outperforms flat-agent and monolithic baselines in terms of task success rate and adaptability. On the GAIA benchmark testing dataset, AgentOrchestra achieves an average score of 83.39\%, ranking among the top general-purpose agents. These results highlight the effectiveness of hierarchical organization and role specialization in building scalable and general-purpose LLM-based agent systems.

  • 8 authors
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Jun 14

PyBench: Evaluating LLM Agent on various real-world coding tasks

The LLM Agent, equipped with a code interpreter, is capable of automatically solving real-world coding tasks, such as data analysis and image editing. However, existing benchmarks primarily focus on either simplistic tasks, such as completing a few lines of code, or on extremely complex and specific tasks at the repository level, neither of which are representative of various daily coding tasks. To address this gap, we introduce PyBench, a benchmark encompassing five main categories of real-world tasks, covering more than 10 types of files. Given a high-level user query and related files, the LLM Agent needs to reason and execute Python code via a code interpreter for a few turns before making a formal response to fulfill the user's requirements. Successfully addressing tasks in PyBench demands a robust understanding of various Python packages, superior reasoning capabilities, and the ability to incorporate feedback from executed code. Our evaluations indicate that current open-source LLMs are struggling with these tasks. Hence, we conduct analysis and experiments on four kinds of datasets proving that comprehensive abilities are needed for PyBench. Our fine-tuned 8B size model: PyLlama3 achieves an exciting performance on PyBench which surpasses many 33B and 70B size models. Our Benchmark, Training Dataset, and Model are available at: https://github.com/Mercury7353/PyBench{https://github.com/Mercury7353/PyBench}

  • 7 authors
·
Jul 23, 2024

Securing AI Agents: Implementing Role-Based Access Control for Industrial Applications

The emergence of Large Language Models (LLMs) has significantly advanced solutions across various domains, from political science to software development. However, these models are constrained by their training data, which is static and limited to information available up to a specific date. Additionally, their generalized nature often necessitates fine-tuning -- whether for classification or instructional purposes -- to effectively perform specific downstream tasks. AI agents, leveraging LLMs as their core, mitigate some of these limitations by accessing external tools and real-time data, enabling applications such as live weather reporting and data analysis. In industrial settings, AI agents are transforming operations by enhancing decision-making, predictive maintenance, and process optimization. For example, in manufacturing, AI agents enable near-autonomous systems that boost productivity and support real-time decision-making. Despite these advancements, AI agents remain vulnerable to security threats, including prompt injection attacks, which pose significant risks to their integrity and reliability. To address these challenges, this paper proposes a framework for integrating Role-Based Access Control (RBAC) into AI agents, providing a robust security guardrail. This framework aims to support the effective and scalable deployment of AI agents, with a focus on on-premises implementations.

  • 1 authors
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Sep 14

Operationalizing Serendipity: Multi-Agent AI Workflows for Enhanced Materials Characterization with Theory-in-the-Loop

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing, their optimization for efficiency risks overlooking these crucial, unplanned findings. To address this gap, we introduce SciLink, an open-source, multi-agent artificial intelligence framework designed to operationalize serendipity in materials research by creating a direct, automated link between experimental observation, novelty assessment, and theoretical simulations. The framework employs a hybrid AI strategy where specialized machine learning models perform quantitative analysis of experimental data, while large language models handle higher-level reasoning. These agents autonomously convert raw data from materials characterization techniques into falsifiable scientific claims, which are then quantitatively scored for novelty against the published literature. We demonstrate the framework's versatility across diverse research scenarios, showcasing its application to atomic-resolution and hyperspectral data, its capacity to integrate real-time human expert guidance, and its ability to close the research loop by proposing targeted follow-up experiments. By systematically analyzing all observations and contextualizing them, SciLink provides a practical framework for AI-driven materials research that not only enhances efficiency but also actively cultivates an environment ripe for serendipitous discoveries, thereby bridging the gap between automated experimentation and open-ended scientific exploration.

  • 7 authors
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Aug 7

ProtAgents: Protein discovery via large language model multi-agent collaborations combining physics and machine learning

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

  • 2 authors
·
Jan 27, 2024

A Survey of LLM $\times$ DATA

The integration of large language model (LLM) and data management (DATA) is rapidly redefining both domains. In this survey, we comprehensively review the bidirectional relationships. On the one hand, DATA4LLM, spanning large-scale data processing, storage, and serving, feeds LLMs with high quality, diversity, and timeliness of data required for stages like pre-training, post-training, retrieval-augmented generation, and agentic workflows: (i) Data processing for LLMs includes scalable acquisition, deduplication, filtering, selection, domain mixing, and synthetic augmentation; (ii) Data Storage for LLMs focuses on efficient data and model formats, distributed and heterogeneous storage hierarchies, KV-cache management, and fault-tolerant checkpointing; (iii) Data serving for LLMs tackles challenges in RAG (e.g., knowledge post-processing), LLM inference (e.g., prompt compression, data provenance), and training strategies (e.g., data packing and shuffling). On the other hand, in LLM4DATA, LLMs are emerging as general-purpose engines for data management. We review recent advances in (i) data manipulation, including automatic data cleaning, integration, discovery; (ii) data analysis, covering reasoning over structured, semi-structured, and unstructured data, and (iii) system optimization (e.g., configuration tuning, query rewriting, anomaly diagnosis), powered by LLM techniques like retrieval-augmented prompting, task-specialized fine-tuning, and multi-agent collaboration.

  • 17 authors
·
May 23

DeepAnalyze: Agentic Large Language Models for Autonomous Data Science

Autonomous data science, from raw data sources to analyst-grade deep research reports, has been a long-standing challenge, and is now becoming feasible with the emergence of powerful large language models (LLMs). Recent workflow-based data agents have shown promising results on specific data tasks but remain fundamentally limited in achieving fully autonomous data science due to their reliance on predefined workflows. In this paper, we introduce DeepAnalyze-8B, the first agentic LLM designed for autonomous data science, capable of automatically completing the end-toend pipeline from data sources to analyst-grade deep research reports. To tackle high-complexity data science tasks, we propose a curriculum-based agentic training paradigm that emulates the learning trajectory of human data scientists, enabling LLMs to progressively acquire and integrate multiple capabilities in real-world environments. We also introduce a data-grounded trajectory synthesis framework that constructs high-quality training data. Through agentic training, DeepAnalyze learns to perform a broad spectrum of data tasks, ranging from data question answering and specialized analytical tasks to open-ended data research. Experiments demonstrate that, with only 8B parameters, DeepAnalyze outperforms previous workflow-based agents built on most advanced proprietary LLMs. The model, code, and training data of DeepAnalyze are open-sourced, paving the way toward autonomous data science.

RUC-DataLab RUC-DataLab
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Oct 19 4

DS-STAR: Data Science Agent via Iterative Planning and Verification

Data science, which transforms raw data into actionable insights, is critical for data-driven decision-making. However, these tasks are often complex, involving steps for exploring multiple data sources and synthesizing findings to deliver insightful answers. While large language models (LLMs) show significant promise in automating this process, they often struggle with heterogeneous data formats and generate sub-optimal analysis plans, as verifying plan sufficiency is inherently difficult without ground-truth labels for such open-ended tasks. To overcome these limitations, we introduce DS-STAR, a novel data science agent. Specifically, DS-STAR makes three key contributions: (1) a data file analysis module that automatically explores and extracts context from diverse data formats, including unstructured types; (2) a verification step where an LLM-based judge evaluates the sufficiency of the analysis plan at each stage; and (3) a sequential planning mechanism that starts with a simple, executable plan and iteratively refines it based on the DS-STAR's feedback until its sufficiency is verified. This iterative refinement allows DS-STAR to reliably navigate complex analyses involving diverse data sources. Our experiments show that DS-STAR achieves state-of-the-art performance across three challenging benchmarks: DABStep, KramaBench, and DA-Code. Moreover, DS-STAR particularly outperforms baselines on hard tasks that require processing multiple data files with heterogeneous formats.

  • 4 authors
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Sep 25

GraphTeam: Facilitating Large Language Model-based Graph Analysis via Multi-Agent Collaboration

Graphs are widely used for modeling relational data in real-world scenarios, such as social networks and urban computing. Existing LLM-based graph analysis approaches either integrate graph neural networks (GNNs) for specific machine learning tasks, limiting their transferability, or rely solely on LLMs' internal reasoning ability, resulting in suboptimal performance. To address these limitations, we take advantage of recent advances in LLM-based agents, which have shown capabilities of utilizing external knowledge or tools for problem solving. By simulating human problem-solving strategies such as analogy and collaboration, we propose a multi-agent system based on LLMs named GraphTeam, for graph analysis. GraphTeam consists of five LLM-based agents from three modules, and the agents with different specialities can collaborate with each other to address complex problems. Specifically, (1) input-output normalization module: the question agent extracts and refines four key arguments from the original question, facilitating the problem understanding, and the answer agent organizes the results to meet the output requirement; (2) external knowledge retrieval module: we first build a knowledge base consisting of relevant documentation and experience information, and then the search agent retrieves the most relevant entries for each question. (3) problem-solving module: given the retrieved information from search agent, the coding agent uses established algorithms via programming to generate solutions, and in case the coding agent does not work, the reasoning agent will directly compute the results without programming. Extensive experiments on six graph analysis benchmarks demonstrate that GraphTeam achieves state-of-the-art performance with an average 25.85% improvement over the best baseline in terms of accuracy. The code and data are available at https://github.com/BUPT-GAMMA/GraphTeam.

  • 10 authors
·
Oct 23, 2024

ResearchCodeAgent: An LLM Multi-Agent System for Automated Codification of Research Methodologies

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

  • 5 authors
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Apr 28

ScienceBoard: Evaluating Multimodal Autonomous Agents in Realistic Scientific Workflows

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific discovery progress across multiple aspects and domains. Among these, computer-using agents, capable of interacting with operating systems as humans do, are paving the way to automated scientific problem-solving and addressing routines in researchers' workflows. Recognizing the transformative potential of these agents, we introduce ScienceBoard, which encompasses two complementary contributions: (i) a realistic, multi-domain environment featuring dynamic and visually rich scientific workflows with integrated professional software, where agents can autonomously interact via different interfaces to accelerate complex research tasks and experiments; and (ii) a challenging benchmark of 169 high-quality, rigorously validated real-world tasks curated by humans, spanning scientific-discovery workflows in domains such as biochemistry, astronomy, and geoinformatics. Extensive evaluations of agents with state-of-the-art backbones (e.g., GPT-4o, Claude 3.7, UI-TARS) show that, despite some promising results, they still fall short of reliably assisting scientists in complex workflows, achieving only a 15% overall success rate. In-depth analysis further provides valuable insights for addressing current agent limitations and more effective design principles, paving the way to build more capable agents for scientific discovery. Our code, environment, and benchmark are at https://qiushisun.github.io/ScienceBoard-Home/.

  • 21 authors
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May 26 3

AstaBench: Rigorous Benchmarking of AI Agents with a Scientific Research Suite

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging from general-purpose "deep research" systems to specialized science-specific agents, such as AI Scientist and AIGS. Rigorous evaluation of these agents is critical for progress. Yet existing benchmarks fall short on several fronts: they (1) fail to provide holistic, product-informed measures of real-world use cases such as science research; (2) lack reproducible agent tools necessary for a controlled comparison of core agentic capabilities; (3) do not account for confounding variables such as model cost and tool access; (4) do not provide standardized interfaces for quick agent prototyping and evaluation; and (5) lack comprehensive baseline agents necessary to identify true advances. In response, we define principles and tooling for more rigorously benchmarking agents. Using these, we present AstaBench, a suite that provides the first holistic measure of agentic ability to perform scientific research, comprising 2400+ problems spanning the entire scientific discovery process and multiple scientific domains, and including many problems inspired by actual user requests to deployed Asta agents. Our suite comes with the first scientific research environment with production-grade search tools that enable controlled, reproducible evaluation, better accounting for confounders. Alongside, we provide a comprehensive suite of nine science-optimized classes of Asta agents and numerous baselines. Our extensive evaluation of 57 agents across 22 agent classes reveals several interesting findings, most importantly that despite meaningful progress on certain individual aspects, AI remains far from solving the challenge of science research assistance.

DatasetResearch: Benchmarking Agent Systems for Demand-Driven Dataset Discovery

The rapid advancement of large language models has fundamentally shifted the bottleneck in AI development from computational power to data availability-with countless valuable datasets remaining hidden across specialized repositories, research appendices, and domain platforms. As reasoning capabilities and deep research methodologies continue to evolve, a critical question emerges: can AI agents transcend conventional search to systematically discover any dataset that meets specific user requirements, enabling truly autonomous demand-driven data curation? We introduce DatasetResearch, the first comprehensive benchmark evaluating AI agents' ability to discover and synthesize datasets from 208 real-world demands across knowledge-intensive and reasoning-intensive tasks. Our tri-dimensional evaluation framework reveals a stark reality: even advanced deep research systems achieve only 22% score on our challenging DatasetResearch-pro subset, exposing the vast gap between current capabilities and perfect dataset discovery. Our analysis uncovers a fundamental dichotomy-search agents excel at knowledge tasks through retrieval breadth, while synthesis agents dominate reasoning challenges via structured generation-yet both catastrophically fail on "corner cases" outside existing distributions. These findings establish the first rigorous baseline for dataset discovery agents and illuminate the path toward AI systems capable of finding any dataset in the digital universe. Our benchmark and comprehensive analysis provide the foundation for the next generation of self-improving AI systems and are publicly available at https://github.com/GAIR-NLP/DatasetResearch.

  • 7 authors
·
Aug 9

MAG-V: A Multi-Agent Framework for Synthetic Data Generation and Verification

Extending the capabilities of Large Language Models (LLMs) with functions or tools for environment interaction has led to the emergence of the agent paradigm. In industry, training an LLM is not always feasible because of the scarcity of domain data, legal holds on proprietary customer data, rapidly changing business requirements, and the need to prototype new assistants. Agents provide an elegant solution to the above by relying on the zero-shot reasoning abilities of the underlying LLM and utilizing tools to explore and reason over customer data and respond to user requests. However, there are two concerns here: (I) acquiring large scale customer queries for agent testing is time-consuming, and (II) high reliance on the tool call sequence (or trajectory) followed by the agent to respond to user queries may lead to unexpected or incorrect behavior. To address this, we propose MAG-V, a multi-agent framework to first generate a dataset of questions that mimic customer queries; and second, reverse-engineer alternate questions from the responses for trajectory verification. Initial results indicate that our synthetic data can improve agent performance on actual customer queries. Furthermore, our trajectory verification methodology, inspired by distant supervision and using traditional machine learning (ML) models, outperforms a GPT-4o judge baseline by 11% accuracy and matches the performance of a GPT-4 judge on our constructed dataset. Overall, our approach is a step towards unifying diverse task agents into a cohesive framework for achieving an aligned objective.

  • 6 authors
·
Nov 28, 2024

Deep Research Agents: A Systematic Examination And Roadmap

The rapid progress of Large Language Models (LLMs) has given rise to a new category of autonomous AI systems, referred to as Deep Research (DR) agents. These agents are designed to tackle complex, multi-turn informational research tasks by leveraging a combination of dynamic reasoning, adaptive long-horizon planning, multi-hop information retrieval, iterative tool use, and the generation of structured analytical reports. In this paper, we conduct a detailed analysis of the foundational technologies and architectural components that constitute Deep Research agents. We begin by reviewing information acquisition strategies, contrasting API-based retrieval methods with browser-based exploration. We then examine modular tool-use frameworks, including code execution, multimodal input processing, and the integration of Model Context Protocols (MCPs) to support extensibility and ecosystem development. To systematize existing approaches, we propose a taxonomy that differentiates between static and dynamic workflows, and we classify agent architectures based on planning strategies and agent composition, including single-agent and multi-agent configurations. We also provide a critical evaluation of current benchmarks, highlighting key limitations such as restricted access to external knowledge, sequential execution inefficiencies, and misalignment between evaluation metrics and the practical objectives of DR agents. Finally, we outline open challenges and promising directions for future research. A curated and continuously updated repository of DR agent research is available at: {https://github.com/ai-agents-2030/awesome-deep-research-agent}.

ELT-Bench: An End-to-End Benchmark for Evaluating AI Agents on ELT Pipelines

Practitioners are increasingly turning to Extract-Load-Transform (ELT) pipelines with the widespread adoption of cloud data warehouses. However, designing these pipelines often involves significant manual work to ensure correctness. Recent advances in AI-based methods, which have shown strong capabilities in data tasks, such as text-to-SQL, present an opportunity to alleviate manual efforts in developing ELT pipelines. Unfortunately, current benchmarks in data engineering only evaluate isolated tasks, such as using data tools and writing data transformation queries, leaving a significant gap in evaluating AI agents for generating end-to-end ELT pipelines. To fill this gap, we introduce ELT-Bench, an end-to-end benchmark designed to assess the capabilities of AI agents to build ELT pipelines. ELT-Bench consists of 100 pipelines, including 835 source tables and 203 data models across various domains. By simulating realistic scenarios involving the integration of diverse data sources and the use of popular data tools, ELT-Bench evaluates AI agents' abilities in handling complex data engineering workflows. AI agents must interact with databases and data tools, write code and SQL queries, and orchestrate every pipeline stage. We evaluate two representative code agent frameworks, Spider-Agent and SWE-Agent, using six popular Large Language Models (LLMs) on ELT-Bench. The highest-performing agent, Spider-Agent Claude-3.7-Sonnet with extended thinking, correctly generates only 3.9% of data models, with an average cost of $4.30 and 89.3 steps per pipeline. Our experimental results demonstrate the challenges of ELT-Bench and highlight the need for a more advanced AI agent to reduce manual effort in ELT workflows. Our code and data are available at https://github.com/uiuc-kang-lab/ELT-Bench.

  • 3 authors
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Apr 7

DataFlow: An LLM-Driven Framework for Unified Data Preparation and Workflow Automation in the Era of Data-Centric AI

The rapidly growing demand for high-quality data in Large Language Models (LLMs) has intensified the need for scalable, reliable, and semantically rich data preparation pipelines. However, current practices remain dominated by ad-hoc scripts and loosely specified workflows, which lack principled abstractions, hinder reproducibility, and offer limited support for model-in-the-loop data generation. To address these challenges, we present DataFlow, a unified and extensible LLM-driven data preparation framework. DataFlow is designed with system-level abstractions that enable modular, reusable, and composable data transformations, and provides a PyTorch-style pipeline construction API for building debuggable and optimizable dataflows. The framework consists of nearly 200 reusable operators and six domain-general pipelines spanning text, mathematical reasoning, code, Text-to-SQL, agentic RAG, and large-scale knowledge extraction. To further improve usability, we introduce DataFlow-Agent, which automatically translates natural-language specifications into executable pipelines via operator synthesis, pipeline planning, and iterative verification. Across six representative use cases, DataFlow consistently improves downstream LLM performance. Our math, code, and text pipelines outperform curated human datasets and specialized synthetic baselines, achieving up to +3\% execution accuracy in Text-to-SQL over SynSQL, +7\% average improvements on code benchmarks, and 1--3 point gains on MATH, GSM8K, and AIME. Moreover, a unified 10K-sample dataset produced by DataFlow enables base models to surpass counterparts trained on 1M Infinity-Instruct data. These results demonstrate that DataFlow provides a practical and high-performance substrate for reliable, reproducible, and scalable LLM data preparation, and establishes a system-level foundation for future data-centric AI development.

Agent Data Protocol: Unifying Datasets for Diverse, Effective Fine-tuning of LLM Agents

Public research results on large-scale supervised finetuning of AI agents remain relatively rare, since the collection of agent training data presents unique challenges. In this work, we argue that the bottleneck is not a lack of underlying data sources, but that a large variety of data is fragmented across heterogeneous formats, tools, and interfaces. To this end, we introduce the agent data protocol (ADP), a light-weight representation language that serves as an "interlingua" between agent datasets in diverse formats and unified agent training pipelines downstream. The design of ADP is expressive enough to capture a large variety of tasks, including API/tool use, browsing, coding, software engineering, and general agentic workflows, while remaining simple to parse and train on without engineering at a per-dataset level. In experiments, we unified a broad collection of 13 existing agent training datasets into ADP format, and converted the standardized ADP data into training-ready formats for multiple agent frameworks. We performed SFT on these data, and demonstrated an average performance gain of ~20% over corresponding base models, and delivers state-of-the-art or near-SOTA performance on standard coding, browsing, tool use, and research benchmarks, without domain-specific tuning. All code and data are released publicly, in the hope that ADP could help lower the barrier to standardized, scalable, and reproducible agent training.

DCA-Bench: A Benchmark for Dataset Curation Agents

The quality of datasets plays an increasingly crucial role in the research and development of modern artificial intelligence (AI). Despite the proliferation of open dataset platforms nowadays, data quality issues, such as insufficient documentation, inaccurate annotations, and ethical concerns, remain common in datasets widely used in AI. Furthermore, these issues are often subtle and difficult to be detected by rule-based scripts, requiring expensive manual identification and verification by dataset users or maintainers. With the increasing capability of large language models (LLMs), it is promising to streamline the curation of datasets with LLM agents. In this work, as the initial step towards this goal, we propose a dataset curation agent benchmark, DCA-Bench, to measure LLM agents' capability of detecting hidden dataset quality issues. Specifically, we collect diverse real-world dataset quality issues from eight open dataset platforms as a testbed. Additionally, to establish an automatic pipeline for evaluating the success of LLM agents, which requires a nuanced understanding of the agent outputs, we implement a dedicated Evaluator using another LLM agent. We demonstrate that the LLM-based Evaluator empirically aligns well with human evaluation, allowing reliable automatic evaluation on the proposed benchmark. We further conduct experiments on several baseline LLM agents on the proposed benchmark and demonstrate the complexity of the task, indicating that applying LLMs to real-world dataset curation still requires further in-depth exploration and innovation. Finally, the proposed benchmark can also serve as a testbed for measuring the capability of LLMs in problem discovery rather than just problem-solving. The benchmark suite is available at https://github.com/TRAIS-Lab/dca-bench.

  • 5 authors
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Jun 11, 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
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Oct 7, 2024 2

FML-bench: A Benchmark for Automatic ML Research Agents Highlighting the Importance of Exploration Breadth

Large language models (LLMs) have sparked growing interest in automatic machine learning research agents. Among them, agents capable of autonomously proposing ideas and conducting machine learning experiments are particularly promising, as they maximize research automation and accelerate scientific progress by iteratively refining ideas based on experimental results. However, comprehensively evaluating such agents remains challenging. Existing benchmarks tend to overemphasize engineering aspects while neglecting academic rigor, creating barriers that obscure a clear assessment of an agent's scientific capabilities in machine learning research. They also suffer from limited task diversity, an overemphasis on application-oriented tasks over fundamental research problems, and limited scalability to realistic research settings. To address these limitations, we introduce FML-bench, a benchmark designed to evaluate automatic machine learning research agents on 8 diverse and fundamental machine learning research problems. It reduces coding burden, emphasizes fundamental problems rather than specific use cases, offers high task diversity, and is extensible to real-world machine learning GitHub repositories. Furthermore, we present a unified evaluation framework with five complementary metrics, designed to comprehensively assess agent performance on our benchmark. We evaluate state-of-the-art automatic research agents on FML-bench, and find that agents employing broad research exploration strategies outperform those focusing on narrow but deep exploration. These findings suggest that emphasizing the breadth of exploration may lead to more effective research outcomes than focusing solely on incremental refinement. Our benchmark is available at https://github.com/qrzou/FML-bench.

A Comprehensive Survey in LLM(-Agent) Full Stack Safety: Data, Training and Deployment

The remarkable success of Large Language Models (LLMs) has illuminated a promising pathway toward achieving Artificial General Intelligence for both academic and industrial communities, owing to their unprecedented performance across various applications. As LLMs continue to gain prominence in both research and commercial domains, their security and safety implications have become a growing concern, not only for researchers and corporations but also for every nation. Currently, existing surveys on LLM safety primarily focus on specific stages of the LLM lifecycle, e.g., deployment phase or fine-tuning phase, lacking a comprehensive understanding of the entire "lifechain" of LLMs. To address this gap, this paper introduces, for the first time, the concept of "full-stack" safety to systematically consider safety issues throughout the entire process of LLM training, deployment, and eventual commercialization. Compared to the off-the-shelf LLM safety surveys, our work demonstrates several distinctive advantages: (I) Comprehensive Perspective. We define the complete LLM lifecycle as encompassing data preparation, pre-training, post-training, deployment and final commercialization. To our knowledge, this represents the first safety survey to encompass the entire lifecycle of LLMs. (II) Extensive Literature Support. Our research is grounded in an exhaustive review of over 800+ papers, ensuring comprehensive coverage and systematic organization of security issues within a more holistic understanding. (III) Unique Insights. Through systematic literature analysis, we have developed reliable roadmaps and perspectives for each chapter. Our work identifies promising research directions, including safety in data generation, alignment techniques, model editing, and LLM-based agent systems. These insights provide valuable guidance for researchers pursuing future work in this field.

  • 82 authors
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Apr 22 2

GenoMAS: A Multi-Agent Framework for Scientific Discovery via Code-Driven Gene Expression Analysis

Gene expression analysis holds the key to many biomedical discoveries, yet extracting insights from raw transcriptomic data remains formidable due to the complexity of multiple large, semi-structured files and the need for extensive domain expertise. Current automation approaches are often limited by either inflexible workflows that break down in edge cases or by fully autonomous agents that lack the necessary precision for rigorous scientific inquiry. GenoMAS charts a different course by presenting a team of LLM-based scientists that integrates the reliability of structured workflows with the adaptability of autonomous agents. GenoMAS orchestrates six specialized LLM agents through typed message-passing protocols, each contributing complementary strengths to a shared analytic canvas. At the heart of GenoMAS lies a guided-planning framework: programming agents unfold high-level task guidelines into Action Units and, at each juncture, elect to advance, revise, bypass, or backtrack, thereby maintaining logical coherence while bending gracefully to the idiosyncrasies of genomic data. On the GenoTEX benchmark, GenoMAS reaches a Composite Similarity Correlation of 89.13% for data preprocessing and an F_1 of 60.48% for gene identification, surpassing the best prior art by 10.61% and 16.85% respectively. Beyond metrics, GenoMAS surfaces biologically plausible gene-phenotype associations corroborated by the literature, all while adjusting for latent confounders. Code is available at https://github.com/Liu-Hy/GenoMAS.

  • 3 authors
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Jul 28 2

Anyprefer: An Agentic Framework for Preference Data Synthesis

High-quality preference data is essential for aligning foundation models with human values through preference learning. However, manual annotation of such data is often time-consuming and costly. Recent methods often adopt a self-rewarding approach, where the target model generates and annotates its own preference data, but this can lead to inaccuracies since the reward model shares weights with the target model, thereby amplifying inherent biases. To address these issues, we propose Anyprefer, a framework designed to synthesize high-quality preference data for aligning the target model. Anyprefer frames the data synthesis process as a cooperative two-player Markov Game, where the target model and the judge model collaborate together. Here, a series of external tools are introduced to assist the judge model in accurately rewarding the target model's responses, mitigating biases in the rewarding process. In addition, a feedback mechanism is introduced to optimize prompts for both models, enhancing collaboration and improving data quality. The synthesized data is compiled into a new preference dataset, Anyprefer-V1, consisting of 58K high-quality preference pairs. Extensive experiments show that Anyprefer significantly improves model alignment performance across four main applications, covering 21 datasets, achieving average improvements of 18.55% in five natural language generation datasets, 3.66% in nine vision-language understanding datasets, 30.05% in three medical image analysis datasets, and 16.00% in four visuo-motor control tasks.

  • 16 authors
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Apr 27

A Survey of Scientific Large Language Models: From Data Foundations to Agent Frontiers

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the complex nature of scientific data. This survey presents a comprehensive, data-centric synthesis that reframes the development of Sci-LLMs as a co-evolution between models and their underlying data substrate. We formulate a unified taxonomy of scientific data and a hierarchical model of scientific knowledge, emphasizing the multimodal, cross-scale, and domain-specific challenges that differentiate scientific corpora from general natural language processing datasets. We systematically review recent Sci-LLMs, from general-purpose foundations to specialized models across diverse scientific disciplines, alongside an extensive analysis of over 270 pre-/post-training datasets, showing why Sci-LLMs pose distinct demands -- heterogeneous, multi-scale, uncertainty-laden corpora that require representations preserving domain invariance and enabling cross-modal reasoning. On evaluation, we examine over 190 benchmark datasets and trace a shift from static exams toward process- and discovery-oriented assessments with advanced evaluation protocols. These data-centric analyses highlight persistent issues in scientific data development and discuss emerging solutions involving semi-automated annotation pipelines and expert validation. Finally, we outline a paradigm shift toward closed-loop systems where autonomous agents based on Sci-LLMs actively experiment, validate, and contribute to a living, evolving knowledge base. Collectively, this work provides a roadmap for building trustworthy, continually evolving artificial intelligence (AI) systems that function as a true partner in accelerating scientific discovery.

  • 103 authors
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Aug 28 4

CMDBench: A Benchmark for Coarse-to-fine Multimodal Data Discovery in Compound AI Systems

Compound AI systems (CASs) that employ LLMs as agents to accomplish knowledge-intensive tasks via interactions with tools and data retrievers have garnered significant interest within database and AI communities. While these systems have the potential to supplement typical analysis workflows of data analysts in enterprise data platforms, unfortunately, CASs are subject to the same data discovery challenges that analysts have encountered over the years -- silos of multimodal data sources, created across teams and departments within an organization, make it difficult to identify appropriate data sources for accomplishing the task at hand. Existing data discovery benchmarks do not model such multimodality and multiplicity of data sources. Moreover, benchmarks of CASs prioritize only evaluating end-to-end task performance. To catalyze research on evaluating the data discovery performance of multimodal data retrievers in CASs within a real-world setting, we propose CMDBench, a benchmark modeling the complexity of enterprise data platforms. We adapt existing datasets and benchmarks in open-domain -- from question answering and complex reasoning tasks to natural language querying over structured data -- to evaluate coarse- and fine-grained data discovery and task execution performance. Our experiments reveal the impact of data retriever design on downstream task performance -- a 46% drop in task accuracy on average -- across various modalities, data sources, and task difficulty. The results indicate the need to develop optimization strategies to identify appropriate LLM agents and retrievers for efficient execution of CASs over enterprise data.

  • 5 authors
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Jun 1, 2024

KramaBench: A Benchmark for AI Systems on Data-to-Insight Pipelines over Data Lakes

Constructing real-world data-to-insight pipelines often involves data extraction from data lakes, data integration across heterogeneous data sources, and diverse operations from data cleaning to analysis. The design and implementation of data science pipelines require domain knowledge, technical expertise, and even project-specific insights. AI systems have shown remarkable reasoning, coding, and understanding capabilities. However, it remains unclear to what extent these capabilities translate into successful design and execution of such complex pipelines. We introduce KRAMABENCH: a benchmark composed of 104 manually-curated real-world data science pipelines spanning 1700 data files from 24 data sources in 6 different domains. We show that these pipelines test the end-to-end capabilities of AI systems on data processing, requiring data discovery, wrangling and cleaning, efficient processing, statistical reasoning, and orchestrating data processing steps given a high-level task. Our evaluation tests 5 general models and 3 code generation models using our reference framework, DS-GURU, which instructs the AI model to decompose a question into a sequence of subtasks, reason through each step, and synthesize Python code that implements the proposed design. Our results on KRAMABENCH show that, although the models are sufficiently capable of solving well-specified data science code generation tasks, when extensive data processing and domain knowledge are required to construct real-world data science pipelines, existing out-of-box models fall short. Progress on KramaBench represents crucial steps towards developing autonomous data science agents for real-world applications. Our code, reference framework, and data are available at https://github.com/mitdbg/KramaBench.

  • 19 authors
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Jun 6

AgentRxiv: Towards Collaborative Autonomous Research

Progress in scientific discovery is rarely the result of a single "Eureka" moment, but is rather the product of hundreds of scientists incrementally working together toward a common goal. While existing agent workflows are capable of producing research autonomously, they do so in isolation, without the ability to continuously improve upon prior research results. To address these challenges, we introduce AgentRxiv-a framework that lets LLM agent laboratories upload and retrieve reports from a shared preprint server in order to collaborate, share insights, and iteratively build on each other's research. We task agent laboratories to develop new reasoning and prompting techniques and find that agents with access to their prior research achieve higher performance improvements compared to agents operating in isolation (11.4% relative improvement over baseline on MATH-500). We find that the best performing strategy generalizes to benchmarks in other domains (improving on average by 3.3%). Multiple agent laboratories sharing research through AgentRxiv are able to work together towards a common goal, progressing more rapidly than isolated laboratories, achieving higher overall accuracy (13.7% relative improvement over baseline on MATH-500). These findings suggest that autonomous agents may play a role in designing future AI systems alongside humans. We hope that AgentRxiv allows agents to collaborate toward research goals and enables researchers to accelerate discovery.

  • 2 authors
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Mar 23 2

Defining and Detecting the Defects of the Large Language Model-based Autonomous Agents

AI agents are systems capable of perceiving their environment, autonomously planning and executing tasks. Recent advancements in LLM have introduced a transformative paradigm for AI agents, enabling them to interact with external resources and tools through prompts. In such agents, the workflow integrates developer-written code, which manages framework construction and logic control, with LLM-generated natural language that enhances dynamic decision-making and interaction. However, discrepancies between developer-implemented logic and the dynamically generated content of LLMs in terms of behavior and expected outcomes can lead to defects, such as tool invocation failures and task execution errors. These issues introduce specific risks, leading to various defects in LLM-based AI Agents, such as service interruptions. Despite the importance of these issues, there is a lack of systematic work that focuses on analyzing LLM-based AI Agents to uncover defects in their code. In this paper, we present the first study focused on identifying and detecting defects in LLM Agents. We collected and analyzed 6,854 relevant posts from StackOverflow to define 8 types of agent defects. For each type, we provided detailed descriptions with an example. Then, we designed a static analysis tool, named Agentable, to detect the defects. Agentable leverages Code Property Graphs and LLMs to analyze Agent workflows by efficiently identifying specific code patterns and analyzing natural language descriptions. To evaluate Agentable, we constructed two datasets: AgentSet, consists of 84 real-world Agents, and AgentTest, which contains 78 Agents specifically designed to include various types of defects. Our results show that Agentable achieved an overall accuracy of 88.79% and a recall rate of 91.03%. Furthermore, our analysis reveals the 889 defects of the AgentSet, highlighting the prevalence of these defects.

  • 8 authors
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Dec 24, 2024

Large Language Models Orchestrating Structured Reasoning Achieve Kaggle Grandmaster Level

We introduce Agent K v1.0, an end-to-end autonomous data science agent designed to automate, optimise, and generalise across diverse data science tasks. Fully automated, Agent K v1.0 manages the entire data science life cycle by learning from experience. It leverages a highly flexible structured reasoning framework to enable it to dynamically process memory in a nested structure, effectively learning from accumulated experience stored to handle complex reasoning tasks. It optimises long- and short-term memory by selectively storing and retrieving key information, guiding future decisions based on environmental rewards. This iterative approach allows it to refine decisions without fine-tuning or backpropagation, achieving continuous improvement through experiential learning. We evaluate our agent's apabilities using Kaggle competitions as a case study. Following a fully automated protocol, Agent K v1.0 systematically addresses complex and multimodal data science tasks, employing Bayesian optimisation for hyperparameter tuning and feature engineering. Our new evaluation framework rigorously assesses Agent K v1.0's end-to-end capabilities to generate and send submissions starting from a Kaggle competition URL. Results demonstrate that Agent K v1.0 achieves a 92.5\% success rate across tasks, spanning tabular, computer vision, NLP, and multimodal domains. When benchmarking against 5,856 human Kaggle competitors by calculating Elo-MMR scores for each, Agent K v1.0 ranks in the top 38\%, demonstrating an overall skill level comparable to Expert-level users. Notably, its Elo-MMR score falls between the first and third quartiles of scores achieved by human Grandmasters. Furthermore, our results indicate that Agent K v1.0 has reached a performance level equivalent to Kaggle Grandmaster, with a record of 6 gold, 3 silver, and 7 bronze medals, as defined by Kaggle's progression system.

  • 18 authors
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Nov 5, 2024 6

CORE-Bench: Fostering the Credibility of Published Research Through a Computational Reproducibility Agent Benchmark

AI agents have the potential to aid users on a variety of consequential tasks, including conducting scientific research. To spur the development of useful agents, we need benchmarks that are challenging, but more crucially, directly correspond to real-world tasks of interest. This paper introduces such a benchmark, designed to measure the accuracy of AI agents in tackling a crucial yet surprisingly challenging aspect of scientific research: computational reproducibility. This task, fundamental to the scientific process, involves reproducing the results of a study using the provided code and data. We introduce CORE-Bench (Computational Reproducibility Agent Benchmark), a benchmark consisting of 270 tasks based on 90 scientific papers across three disciplines (computer science, social science, and medicine). Tasks in CORE-Bench consist of three difficulty levels and include both language-only and vision-language tasks. We provide an evaluation system to measure the accuracy of agents in a fast and parallelizable way, saving days of evaluation time for each run compared to a sequential implementation. We evaluated two baseline agents: the general-purpose AutoGPT and a task-specific agent called CORE-Agent. We tested both variants using two underlying language models: GPT-4o and GPT-4o-mini. The best agent achieved an accuracy of 21% on the hardest task, showing the vast scope for improvement in automating routine scientific tasks. Having agents that can reproduce existing work is a necessary step towards building agents that can conduct novel research and could verify and improve the performance of other research agents. We hope that CORE-Bench can improve the state of reproducibility and spur the development of future research agents.

  • 5 authors
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Sep 17, 2024 2

FinRobot: AI Agent for Equity Research and Valuation with Large Language Models

As financial markets grow increasingly complex, there is a rising need for automated tools that can effectively assist human analysts in equity research, particularly within sell-side research. While Generative AI (GenAI) has attracted significant attention in this field, existing AI solutions often fall short due to their narrow focus on technical factors and limited capacity for discretionary judgment. These limitations hinder their ability to adapt to new data in real-time and accurately assess risks, which diminishes their practical value for investors. This paper presents FinRobot, the first AI agent framework specifically designed for equity research. FinRobot employs a multi-agent Chain of Thought (CoT) system, integrating both quantitative and qualitative analyses to emulate the comprehensive reasoning of a human analyst. The system is structured around three specialized agents: the Data-CoT Agent, which aggregates diverse data sources for robust financial integration; the Concept-CoT Agent, which mimics an analysts reasoning to generate actionable insights; and the Thesis-CoT Agent, which synthesizes these insights into a coherent investment thesis and report. FinRobot provides thorough company analysis supported by precise numerical data, industry-appropriate valuation metrics, and realistic risk assessments. Its dynamically updatable data pipeline ensures that research remains timely and relevant, adapting seamlessly to new financial information. Unlike existing automated research tools, such as CapitalCube and Wright Reports, FinRobot delivers insights comparable to those produced by major brokerage firms and fundamental research vendors. We open-source FinRobot at https://github. com/AI4Finance-Foundation/FinRobot.

  • 4 authors
·
Nov 13, 2024

A Rigorous Benchmark with Multidimensional Evaluation for Deep Research Agents: From Answers to Reports

Artificial intelligence is undergoing the paradigm shift from closed language models to interconnected agent systems capable of external perception and information integration. As a representative embodiment, Deep Research Agents (DRAs) systematically exhibit the capabilities for task decomposition, cross-source retrieval, multi-stage reasoning, and structured output, which markedly enhance performance on complex and open-ended tasks. However, existing benchmarks remain deficient in evaluation dimensions, response formatting, and scoring mechanisms, limiting their capacity to assess such systems effectively. This paper introduces a rigorous benchmark and a multidimensional evaluation framework tailored to DRAs and report-style responses. The benchmark comprises 214 expert-curated challenging queries distributed across 10 broad thematic domains, each accompanied by manually constructed reference bundles to support composite evaluation. The framework enables comprehensive evaluation of long-form reports generated by DRAs, incorporating integrated scoring metrics for semantic quality, topical focus, and retrieval trustworthiness. Extensive experimentation confirms the superior performance of mainstream DRAs over web-search-tool-augmented reasoning models, yet reveals considerable scope for further improvement. This study provides a robust foundation for capability assessment, architectural refinement, and paradigm advancement in DRA systems.

MetaAgent: Toward Self-Evolving Agent via Tool Meta-Learning

In this work, we propose MetaAgent, an agentic paradigm inspired by the principle of learning-by-doing, where expertise is developed through hands-on practice and continual self-improvement. MetaAgent starts with a minimal workflow, equipped only with basic reasoning and adaptive help-seeking abilities. When a knowledge gap is encountered, MetaAgent generates natural language help requests, which are routed to the most suitable external tool by a dedicated tool router. As MetaAgent solves tasks, it continually conducts self-reflection and answer verification, distilling actionable experience into concise texts that are dynamically incorporated into future task contexts. Besides, MetaAgent autonomously builds in-house tools and a persistent knowledge base by organizing its tool-use history, further enhancing its ability to retrieve and integrate relevant information We term this continual, data-driven process as meta tool learning, through which MetaAgent incrementally refines its reasoning and tool-use strategies, without changing model parameters or requiring further post-training. Evaluated on challenging knowledge discovery benchmarks, including GAIA, WebWalkerQA, and BrowseCamp, MetaAgent consistently outperforms workflow-based baselines and matches or exceeds end-to-end trained agents, demonstrating the promise of self-evolving agentic systems for robust, general-purpose knowledge discovery. We provide our source codes in https://github.com/qhjqhj00/MetaAgent.

  • 2 authors
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Jul 31

OS-Genesis: Automating GUI Agent Trajectory Construction via Reverse Task Synthesis

Graphical User Interface (GUI) agents powered by Vision-Language Models (VLMs) have demonstrated human-like computer control capability. Despite their utility in advancing digital automation, a critical bottleneck persists: collecting high-quality trajectory data for training. Common practices for collecting such data rely on human supervision or synthetic data generation through executing pre-defined tasks, which are either resource-intensive or unable to guarantee data quality. Moreover, these methods suffer from limited data diversity and significant gaps between synthetic data and real-world environments. To address these challenges, we propose OS-Genesis, a novel GUI data synthesis pipeline that reverses the conventional trajectory collection process. Instead of relying on pre-defined tasks, OS-Genesis enables agents first to perceive environments and perform step-wise interactions, then retrospectively derive high-quality tasks to enable trajectory-level exploration. A trajectory reward model is then employed to ensure the quality of the generated trajectories. We demonstrate that training GUI agents with OS-Genesis significantly improves their performance on highly challenging online benchmarks. In-depth analysis further validates OS-Genesis's efficiency and its superior data quality and diversity compared to existing synthesis methods. Our codes, data, and checkpoints are available at https://qiushisun.github.io/OS-Genesis-Home/{OS-Genesis Homepage}.

  • 15 authors
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Dec 27, 2024 3

DataEnvGym: Data Generation Agents in Teacher Environments with Student Feedback

The process of creating training data to teach models is currently driven by humans, who manually analyze model weaknesses and plan how to create data that improves a student model. Recent approaches using LLMs as annotators reduce human effort, but still require humans to interpret feedback from evaluations and control the LLM to produce data the student needs. Automating this labor-intensive process by creating autonomous data generation agents - or teachers - is desirable, but requires environments that can simulate the feedback-driven, iterative, closed loop of data creation. To enable rapid and scalable testing for such agents and their modules, we introduce DataEnvGym, a testbed of teacher environments for data generation agents. DataEnvGym frames data generation as a sequential decision-making task, involving an agent consisting of a data generation policy (which generates a plan for creating training data) and a data generation engine (which transforms the plan into data), inside an environment that provides student feedback. The agent's goal is to improve student performance. Students are iteratively trained and evaluated on generated data, with their feedback (in the form of errors or weak skills) being reported to the agent after each iteration. DataEnvGym includes multiple teacher environment instantiations across 3 levels of structure in the state representation and action space. More structured environments are based on inferred skills and offer more interpretability and curriculum control. We support 3 diverse tasks (math, code, and VQA) and test multiple students and teachers. Example agents in our teaching environments can iteratively improve students across tasks and settings. Moreover, we show that environments teach different skill levels and test variants of key modules, pointing to future work in improving data generation agents, engines, and feedback mechanisms.

  • 4 authors
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Oct 8, 2024