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Aug 11

MLAgentBench: Evaluating Language Agents on Machine Learning Experimentation

A central aspect of machine learning research is experimentation, the process of designing and running experiments, analyzing the results, and iterating towards some positive outcome (e.g., improving accuracy). Could agents driven by powerful language models perform machine learning experimentation effectively? To answer this question, we introduce MLAgentBench, a suite of 13 tasks ranging from improving model performance on CIFAR-10 to recent research problems like BabyLM. For each task, an agent can perform actions like reading/writing files, executing code, and inspecting outputs. We then construct an agent that can perform ML experimentation based on ReAct framework. We benchmark agents based on Claude v1.0, Claude v2.1, Claude v3 Opus, GPT-4, GPT-4-turbo, Gemini-Pro, and Mixtral and find that a Claude v3 Opus agent is the best in terms of success rate. It can build compelling ML models over many tasks in MLAgentBench with 37.5% average success rate. Our agents also display highly interpretable plans and actions. However, the success rates vary considerably; they span from 100% on well-established older datasets to as low as 0% on recent Kaggle challenges created potentially after the underlying LM was trained. Finally, we identify several key challenges for LM-based agents such as long-term planning and reducing hallucination. Our code is released at https://github.com/snap-stanford/MLAgentBench.

From Reproduction to Replication: Evaluating Research Agents with Progressive Code Masking

Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can implement scientific ideas when given varied amounts of code as a starting point, interpolating between reproduction (running code) and from-scratch replication (fully re-implementing and running code). We introduce AutoExperiment, a benchmark that evaluates AI agents' ability to implement and run machine learning experiments based on natural language descriptions in research papers. In each task, agents are given a research paper, a codebase with key functions masked out, and a command to run the experiment. The goal is to generate the missing code, execute the experiment in a sandboxed environment, and reproduce the results. AutoExperiment scales in difficulty by varying the number of missing functions n, ranging from partial reproduction to full replication. We evaluate state-of-the-art agents and find that performance degrades rapidly as n increases. Agents that can dynamically interact with the environment (e.g. to debug their code) can outperform agents in fixed "agentless" harnesses, and there exists a significant gap between single-shot and multi-trial success rates (Pass@1 vs. Pass@5), motivating verifier approaches to our benchmark. Our findings highlight critical challenges in long-horizon code generation, context retrieval, and autonomous experiment execution, establishing AutoExperiment as a new benchmark for evaluating progress in AI-driven scientific experimentation. Our data and code are open-sourced at https://github.com/j1mk1m/AutoExperiment .

MLR-Bench: Evaluating AI Agents on Open-Ended Machine Learning Research

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

TimeSeriesGym: A Scalable Benchmark for (Time Series) Machine Learning Engineering Agents

We introduce TimeSeriesGym, a scalable benchmarking framework for evaluating Artificial Intelligence (AI) agents on time series machine learning engineering challenges. Existing benchmarks lack scalability, focus narrowly on model building in well-defined settings, and evaluate only a limited set of research artifacts (e.g., CSV submission files). To make AI agent benchmarking more relevant to the practice of machine learning engineering, our framework scales along two critical dimensions. First, recognizing that effective ML engineering requires a range of diverse skills, TimeSeriesGym incorporates challenges from diverse sources spanning multiple domains and tasks. We design challenges to evaluate both isolated capabilities (including data handling, understanding research repositories, and code translation) and their combinations, and rather than addressing each challenge independently, we develop tools that support designing multiple challenges at scale. Second, we implement evaluation mechanisms for multiple research artifacts, including submission files, code, and models, using both precise numeric measures and more flexible LLM-based evaluation approaches. This dual strategy balances objective assessment with contextual judgment. Although our initial focus is on time series applications, our framework can be readily extended to other data modalities, broadly enhancing the comprehensiveness and practical utility of agentic AI evaluation. We open-source our benchmarking framework to facilitate future research on the ML engineering capabilities of AI agents.

MLE-Dojo: Interactive Environments for Empowering LLM Agents in Machine Learning Engineering

We introduce MLE-Dojo, a Gym-style framework for systematically reinforcement learning, evaluating, and improving autonomous large language model (LLM) agents in iterative machine learning engineering (MLE) workflows. Unlike existing benchmarks that primarily rely on static datasets or single-attempt evaluations, MLE-Dojo provides an interactive environment enabling agents to iteratively experiment, debug, and refine solutions through structured feedback loops. Built upon 200+ real-world Kaggle challenges, MLE-Dojo covers diverse, open-ended MLE tasks carefully curated to reflect realistic engineering scenarios such as data processing, architecture search, hyperparameter tuning, and code debugging. Its fully executable environment supports comprehensive agent training via both supervised fine-tuning and reinforcement learning, facilitating iterative experimentation, realistic data sampling, and real-time outcome verification. Extensive evaluations of eight frontier LLMs reveal that while current models achieve meaningful iterative improvements, they still exhibit significant limitations in autonomously generating long-horizon solutions and efficiently resolving complex errors. Furthermore, MLE-Dojo's flexible and extensible architecture seamlessly integrates diverse data sources, tools, and evaluation protocols, uniquely enabling model-based agent tuning and promoting interoperability, scalability, and reproducibility. We open-source our framework and benchmarks to foster community-driven innovation towards next-generation MLE agents.

Contrastive learning-based agent modeling for deep reinforcement learning

Multi-agent systems often require agents to collaborate with or compete against other agents with diverse goals, behaviors, or strategies. Agent modeling is essential when designing adaptive policies for intelligent machine agents in multiagent systems, as this is the means by which the ego agent understands other agents' behavior and extracts their meaningful policy representations. These representations can be used to enhance the ego agent's adaptive policy which is trained by reinforcement learning. However, existing agent modeling approaches typically assume the availability of local observations from other agents (modeled agents) during training or a long observation trajectory for policy adaption. To remove these constrictive assumptions and improve agent modeling performance, we devised a Contrastive Learning-based Agent Modeling (CLAM) method that relies only on the local observations from the ego agent during training and execution. With these observations, CLAM is capable of generating consistent high-quality policy representations in real-time right from the beginning of each episode. We evaluated the efficacy of our approach in both cooperative and competitive multi-agent environments. Our experiments demonstrate that our approach achieves state-of-the-art on both cooperative and competitive tasks, highlighting the potential of contrastive learning-based agent modeling for enhancing reinforcement learning.

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.

Agent-based Learning of Materials Datasets from Scientific Literature

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

AutoP2C: An LLM-Based Agent Framework for Code Repository Generation from Multimodal Content in Academic Papers

Machine Learning (ML) research is spread through academic papers featuring rich multimodal content, including text, diagrams, and tabular results. However, translating these multimodal elements into executable code remains a challenging and time-consuming process that requires substantial ML expertise. We introduce ``Paper-to-Code'' (P2C), a novel task that transforms the multimodal content of scientific publications into fully executable code repositories, which extends beyond the existing formulation of code generation that merely converts textual descriptions into isolated code snippets. To automate the P2C process, we propose AutoP2C, a multi-agent framework based on large language models that processes both textual and visual content from research papers to generate complete code repositories. Specifically, AutoP2C contains four stages: (1) repository blueprint extraction from established codebases, (2) multimodal content parsing that integrates information from text, equations, and figures, (3) hierarchical task decomposition for structured code generation, and (4) iterative feedback-driven debugging to ensure functionality and performance. Evaluation on a benchmark of eight research papers demonstrates the effectiveness of AutoP2C, which can successfully generate executable code repositories for all eight papers, while OpenAI-o1 or DeepSeek-R1 can only produce runnable code for one paper. The code is available at https://github.com/shoushouyu/Automated-Paper-to-Code.

AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool Use

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

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.

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.

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.

Automated Design of Agentic Systems

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

CityFlow: A Multi-Agent Reinforcement Learning Environment for Large Scale City Traffic Scenario

Traffic signal control is an emerging application scenario for reinforcement learning. Besides being as an important problem that affects people's daily life in commuting, traffic signal control poses its unique challenges for reinforcement learning in terms of adapting to dynamic traffic environment and coordinating thousands of agents including vehicles and pedestrians. A key factor in the success of modern reinforcement learning relies on a good simulator to generate a large number of data samples for learning. The most commonly used open-source traffic simulator SUMO is, however, not scalable to large road network and large traffic flow, which hinders the study of reinforcement learning on traffic scenarios. This motivates us to create a new traffic simulator CityFlow with fundamentally optimized data structures and efficient algorithms. CityFlow can support flexible definitions for road network and traffic flow based on synthetic and real-world data. It also provides user-friendly interface for reinforcement learning. Most importantly, CityFlow is more than twenty times faster than SUMO and is capable of supporting city-wide traffic simulation with an interactive render for monitoring. Besides traffic signal control, CityFlow could serve as the base for other transportation studies and can create new possibilities to test machine learning methods in the intelligent transportation domain.

Formally Specifying the High-Level Behavior of LLM-Based Agents

LLM-based agents have recently emerged as promising tools for solving challenging problems without the need for task-specific finetuned models that can be expensive to procure. Currently, the design and implementation of such agents is ad hoc, as the wide variety of tasks that LLM-based agents may be applied to naturally means there can be no one-size-fits-all approach to agent design. In this work we aim to alleviate the difficulty of designing and implementing new agents by proposing a minimalistic, high-level generation framework that simplifies the process of building agents. The framework we introduce allows the user to specify desired agent behaviors in Linear Temporal Logic (LTL). The declarative LTL specification is then used to construct a constrained decoder that guarantees the LLM will produce an output exhibiting the desired behavior. By designing our framework in this way, we obtain several benefits, including the ability to enforce complex agent behavior, the ability to formally validate prompt examples, and the ability to seamlessly incorporate content-focused logical constraints into generation. In particular, our declarative approach, in which the desired behavior is simply described without concern for how it should be implemented or enforced, enables rapid design, implementation and experimentation with different LLM-based agents. We demonstrate how the proposed framework can be used to implement recent LLM-based agents, and show how the guardrails our approach provides can lead to improvements in agent performance. In addition, we release our code for general use.

A Survey on the Optimization of Large Language Model-based Agents

With the rapid development of Large Language Models (LLMs), LLM-based agents have been widely adopted in various fields, becoming essential for autonomous decision-making and interactive tasks. However, current work typically relies on prompt design or fine-tuning strategies applied to vanilla LLMs, which often leads to limited effectiveness or suboptimal performance in complex agent-related environments. Although LLM optimization techniques can improve model performance across many general tasks, they lack specialized optimization towards critical agent functionalities such as long-term planning, dynamic environmental interaction, and complex decision-making. Although numerous recent studies have explored various strategies to optimize LLM-based agents for complex agent tasks, a systematic review summarizing and comparing these methods from a holistic perspective is still lacking. In this survey, we provide a comprehensive review of LLM-based agent optimization approaches, categorizing them into parameter-driven and parameter-free methods. We first focus on parameter-driven optimization, covering fine-tuning-based optimization, reinforcement learning-based optimization, and hybrid strategies, analyzing key aspects such as trajectory data construction, fine-tuning techniques, reward function design, and optimization algorithms. Additionally, we briefly discuss parameter-free strategies that optimize agent behavior through prompt engineering and external knowledge retrieval. Finally, we summarize the datasets and benchmarks used for evaluation and tuning, review key applications of LLM-based agents, and discuss major challenges and promising future directions. Our repository for related references is available at https://github.com/YoungDubbyDu/LLM-Agent-Optimization.

Learning to Be A Doctor: Searching for Effective Medical Agent Architectures

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

Symbolic Learning Enables Self-Evolving Agents

The AI community has been exploring a pathway to artificial general intelligence (AGI) by developing "language agents", which are complex large language models (LLMs) pipelines involving both prompting techniques and tool usage methods. While language agents have demonstrated impressive capabilities for many real-world tasks, a fundamental limitation of current language agents research is that they are model-centric, or engineering-centric. That's to say, the progress on prompts, tools, and pipelines of language agents requires substantial manual engineering efforts from human experts rather than automatically learning from data. We believe the transition from model-centric, or engineering-centric, to data-centric, i.e., the ability of language agents to autonomously learn and evolve in environments, is the key for them to possibly achieve AGI. In this work, we introduce agent symbolic learning, a systematic framework that enables language agents to optimize themselves on their own in a data-centric way using symbolic optimizers. Specifically, we consider agents as symbolic networks where learnable weights are defined by prompts, tools, and the way they are stacked together. Agent symbolic learning is designed to optimize the symbolic network within language agents by mimicking two fundamental algorithms in connectionist learning: back-propagation and gradient descent. Instead of dealing with numeric weights, agent symbolic learning works with natural language simulacrums of weights, loss, and gradients. We conduct proof-of-concept experiments on both standard benchmarks and complex real-world tasks and show that agent symbolic learning enables language agents to update themselves after being created and deployed in the wild, resulting in "self-evolving agents".

From LLM Reasoning to Autonomous AI Agents: A Comprehensive Review

Large language models and autonomous AI agents have evolved rapidly, resulting in a diverse array of evaluation benchmarks, frameworks, and collaboration protocols. However, the landscape remains fragmented and lacks a unified taxonomy or comprehensive survey. Therefore, we present a side-by-side comparison of benchmarks developed between 2019 and 2025 that evaluate these models and agents across multiple domains. In addition, we propose a taxonomy of approximately 60 benchmarks that cover general and academic knowledge reasoning, mathematical problem-solving, code generation and software engineering, factual grounding and retrieval, domain-specific evaluations, multimodal and embodied tasks, task orchestration, and interactive assessments. Furthermore, we review AI-agent frameworks introduced between 2023 and 2025 that integrate large language models with modular toolkits to enable autonomous decision-making and multi-step reasoning. Moreover, we present real-world applications of autonomous AI agents in materials science, biomedical research, academic ideation, software engineering, synthetic data generation, chemical reasoning, mathematical problem-solving, geographic information systems, multimedia, healthcare, and finance. We then survey key agent-to-agent collaboration protocols, namely the Agent Communication Protocol (ACP), the Model Context Protocol (MCP), and the Agent-to-Agent Protocol (A2A). Finally, we discuss recommendations for future research, focusing on advanced reasoning strategies, failure modes in multi-agent LLM systems, automated scientific discovery, dynamic tool integration via reinforcement learning, integrated search capabilities, and security vulnerabilities in agent protocols.

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.

KwaiAgents: Generalized Information-seeking Agent System with Large Language Models

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast amounts of information in their brains, humans excel in critical thinking, planning, reflection, and harnessing available tools to interact with and interpret the world, enabling them to find answers efficiently. The recent advancements in large language models (LLMs) suggest that machines might also possess the aforementioned human-like capabilities, allowing them to exhibit powerful abilities even with a constrained parameter count. In this paper, we introduce KwaiAgents, a generalized information-seeking agent system based on LLMs. Within KwaiAgents, we propose an agent system that employs LLMs as its cognitive core, which is capable of understanding a user's query, behavior guidelines, and referencing external documents. The agent can also update and retrieve information from its internal memory, plan and execute actions using a time-aware search-browse toolkit, and ultimately provide a comprehensive response. We further investigate the system's performance when powered by LLMs less advanced than GPT-4, and introduce the Meta-Agent Tuning (MAT) framework, designed to ensure even an open-sourced 7B or 13B model performs well among many agent systems. We exploit both benchmark and human evaluations to systematically validate these capabilities. Extensive experiments show the superiority of our agent system compared to other autonomous agents and highlight the enhanced generalized agent-abilities of our fine-tuned LLMs.

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}.

AI Agents vs. Agentic AI: A Conceptual Taxonomy, Applications and Challenge

This study critically distinguishes between AI Agents and Agentic AI, offering a structured conceptual taxonomy, application mapping, and challenge analysis to clarify their divergent design philosophies and capabilities. We begin by outlining the search strategy and foundational definitions, characterizing AI Agents as modular systems driven by Large Language Models (LLMs) and Large Image Models (LIMs) for narrow, task-specific automation. Generative AI is positioned as a precursor, with AI Agents advancing through tool integration, prompt engineering, and reasoning enhancements. In contrast, Agentic AI systems represent a paradigmatic shift marked by multi-agent collaboration, dynamic task decomposition, persistent memory, and orchestrated autonomy. Through a sequential evaluation of architectural evolution, operational mechanisms, interaction styles, and autonomy levels, we present a comparative analysis across both paradigms. Application domains such as customer support, scheduling, and data summarization are contrasted with Agentic AI deployments in research automation, robotic coordination, and medical decision support. We further examine unique challenges in each paradigm including hallucination, brittleness, emergent behavior, and coordination failure and propose targeted solutions such as ReAct loops, RAG, orchestration layers, and causal modeling. This work aims to provide a definitive roadmap for developing robust, scalable, and explainable AI agent and Agentic AI-driven systems. >AI Agents, Agent-driven, Vision-Language-Models, Agentic AI Decision Support System, Agentic-AI Applications

Cognitive Kernel-Pro: A Framework for Deep Research Agents and Agent Foundation Models Training

General AI Agents are increasingly recognized as foundational frameworks for the next generation of artificial intelligence, enabling complex reasoning, web interaction, coding, and autonomous research capabilities. However, current agent systems are either closed-source or heavily reliant on a variety of paid APIs and proprietary tools, limiting accessibility and reproducibility for the research community. In this work, we present Cognitive Kernel-Pro, a fully open-source and (to the maximum extent) free multi-module agent framework designed to democratize the development and evaluation of advanced AI agents. Within Cognitive Kernel-Pro, we systematically investigate the curation of high-quality training data for Agent Foundation Models, focusing on the construction of queries, trajectories, and verifiable answers across four key domains: web, file, code, and general reasoning. Furthermore, we explore novel strategies for agent test-time reflection and voting to enhance agent robustness and performance. We evaluate Cognitive Kernel-Pro on GAIA, achieving state-of-the-art results among open-source and free agents. Notably, our 8B-parameter open-source model surpasses previous leading systems such as WebDancer and WebSailor, establishing a new performance standard for accessible, high-capability AI agents. Code is available at https://github.com/Tencent/CognitiveKernel-Pro

AgentSwift: Efficient LLM Agent Design via Value-guided Hierarchical Search

Large language model (LLM) agents have demonstrated strong capabilities across diverse domains. However, designing high-performing agentic systems remains challenging. Existing agent search methods suffer from three major limitations: (1) an emphasis on optimizing agentic workflows while under-utilizing proven human-designed components such as memory, planning, and tool use; (2) high evaluation costs, as each newly generated agent must be fully evaluated on benchmarks; and (3) inefficient search in large search space. In this work, we introduce a comprehensive framework to address these challenges. First, We propose a hierarchical search space that jointly models agentic workflow and composable functional components, enabling richer agentic system designs. Building on this structured design space, we introduce a predictive value model that estimates agent performance given agentic system and task description, allowing for efficient, low-cost evaluation during the search process. Finally, we present a hierarchical Monte Carlo Tree Search (MCTS) strategy informed by uncertainty to guide the search. Experiments on seven benchmarks, covering embodied, math, web, tool, and game, show that our method achieves an average performance gain of 8.34\% over state-of-the-art baselines and exhibits faster search progress with steeper improvement trajectories. Code repo is available at https://github.com/Ericccc02/AgentSwift.

AdaptAgent: Adapting Multimodal Web Agents with Few-Shot Learning from Human Demonstrations

State-of-the-art multimodal web agents, powered by Multimodal Large Language Models (MLLMs), can autonomously execute many web tasks by processing user instructions and interacting with graphical user interfaces (GUIs). Current strategies for building web agents rely on (i) the generalizability of underlying MLLMs and their steerability via prompting, and (ii) large-scale fine-tuning of MLLMs on web-related tasks. However, web agents still struggle to automate tasks on unseen websites and domains, limiting their applicability to enterprise-specific and proprietary platforms. Beyond generalization from large-scale pre-training and fine-tuning, we propose building agents for few-shot adaptability using human demonstrations. We introduce the AdaptAgent framework that enables both proprietary and open-weights multimodal web agents to adapt to new websites and domains using few human demonstrations (up to 2). Our experiments on two popular benchmarks -- Mind2Web & VisualWebArena -- show that using in-context demonstrations (for proprietary models) or meta-adaptation demonstrations (for meta-learned open-weights models) boosts task success rate by 3.36% to 7.21% over non-adapted state-of-the-art models, corresponding to a relative increase of 21.03% to 65.75%. Furthermore, our additional analyses (a) show the effectiveness of multimodal demonstrations over text-only ones, (b) shed light on the influence of different data selection strategies during meta-learning on the generalization of the agent, and (c) demonstrate the effect of number of few-shot examples on the web agent's success rate. Overall, our results unlock a complementary axis for developing widely applicable multimodal web agents beyond large-scale pre-training and fine-tuning, emphasizing few-shot adaptability.

On the limits of agency in agent-based models

Agent-based modeling (ABM) seeks to understand the behavior of complex systems by simulating a collection of agents that act and interact within an environment. Their practical utility requires capturing realistic environment dynamics and adaptive agent behavior while efficiently simulating million-size populations. Recent advancements in large language models (LLMs) present an opportunity to enhance ABMs by using LLMs as agents with further potential to capture adaptive behavior. However, the computational infeasibility of using LLMs for large populations has hindered their widespread adoption. In this paper, we introduce AgentTorch -- a framework that scales ABMs to millions of agents while capturing high-resolution agent behavior using LLMs. We benchmark the utility of LLMs as ABM agents, exploring the trade-off between simulation scale and individual agency. Using the COVID-19 pandemic as a case study, we demonstrate how AgentTorch can simulate 8.4 million agents representing New York City, capturing the impact of isolation and employment behavior on health and economic outcomes. We compare the performance of different agent architectures based on heuristic and LLM agents in predicting disease waves and unemployment rates. Furthermore, we showcase AgentTorch's capabilities for retrospective, counterfactual, and prospective analyses, highlighting how adaptive agent behavior can help overcome the limitations of historical data in policy design. AgentTorch is an open-source project actively being used for policy-making and scientific discovery around the world. The framework is available here: github.com/AgentTorch/AgentTorch.

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

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

Agentic Neural Networks: Self-Evolving Multi-Agent Systems via Textual Backpropagation

Leveraging multiple Large Language Models(LLMs) has proven effective for addressing complex, high-dimensional tasks, but current approaches often rely on static, manually engineered multi-agent configurations. To overcome these constraints, we present the Agentic Neural Network(ANN), a framework that conceptualizes multi-agent collaboration as a layered neural network architecture. In this design, each agent operates as a node, and each layer forms a cooperative "team" focused on a specific subtask. Agentic Neural Network follows a two-phase optimization strategy: (1) Forward Phase-Drawing inspiration from neural network forward passes, tasks are dynamically decomposed into subtasks, and cooperative agent teams with suitable aggregation methods are constructed layer by layer. (2) Backward Phase-Mirroring backpropagation, we refine both global and local collaboration through iterative feedback, allowing agents to self-evolve their roles, prompts, and coordination. This neuro-symbolic approach enables ANN to create new or specialized agent teams post-training, delivering notable gains in accuracy and adaptability. Across four benchmark datasets, ANN surpasses leading multi-agent baselines under the same configurations, showing consistent performance improvements. Our findings indicate that ANN provides a scalable, data-driven framework for multi-agent systems, combining the collaborative capabilities of LLMs with the efficiency and flexibility of neural network principles. We plan to open-source the entire framework.

A Survey on Large Language Model based Autonomous Agents

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

Tree Search for Language Model Agents

Autonomous agents powered by language models (LMs) have demonstrated promise in their ability to perform decision-making tasks such as web automation. However, a key limitation remains: LMs, primarily optimized for natural language understanding and generation, struggle with multi-step reasoning, planning, and using environmental feedback when attempting to solve realistic computer tasks. Towards addressing this, we propose an inference-time search algorithm for LM agents to explicitly perform exploration and multi-step planning in interactive web environments. Our approach is a form of best-first tree search that operates within the actual environment space, and is complementary with most existing state-of-the-art agents. It is the first tree search algorithm for LM agents that shows effectiveness on realistic web tasks. On the challenging VisualWebArena benchmark, applying our search algorithm on top of a GPT-4o agent yields a 39.7% relative increase in success rate compared to the same baseline without search, setting a state-of-the-art success rate of 26.4%. On WebArena, search also yields a 28.0% relative improvement over a baseline agent, setting a competitive success rate of 19.2%. Our experiments highlight the effectiveness of search for web agents, and we demonstrate that performance scales with increased test-time compute. We conduct a thorough analysis of our results to highlight improvements from search, limitations, and promising directions for future work. Our code and models are publicly released at https://jykoh.com/search-agents.

The Rise and Potential of Large Language Model Based Agents: A Survey

For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense their environment, make decisions, and take actions. Many efforts have been made to develop intelligent AI agents since the mid-20th century. However, these efforts have mainly focused on advancement in algorithms or training strategies to enhance specific capabilities or performance on particular tasks. Actually, what the community lacks is a sufficiently general and powerful model to serve as a starting point for designing AI agents that can adapt to diverse scenarios. Due to the versatile and remarkable capabilities they demonstrate, large language models (LLMs) are regarded as potential sparks for Artificial General Intelligence (AGI), offering hope for building general AI agents. Many research efforts have leveraged LLMs as the foundation to build AI agents and have achieved significant progress. We start by tracing the concept of agents from its philosophical origins to its development in AI, and explain why LLMs are suitable foundations for AI agents. Building upon this, we present a conceptual framework for LLM-based agents, comprising three main components: brain, perception, and action, and the framework can be tailored to suit different applications. Subsequently, we explore the extensive applications of LLM-based agents in three aspects: single-agent scenarios, multi-agent scenarios, and human-agent cooperation. Following this, we delve into agent societies, exploring the behavior and personality of LLM-based agents, the social phenomena that emerge when they form societies, and the insights they offer for human society. Finally, we discuss a range of key topics and open problems within the field.

MALT: Improving Reasoning with Multi-Agent LLM Training

Enabling effective collaboration among LLMs is a crucial step toward developing autonomous systems capable of solving complex problems. While LLMs are typically used as single-model generators, where humans critique and refine their outputs, the potential for jointly-trained collaborative models remains largely unexplored. Despite promising results in multi-agent communication and debate settings, little progress has been made in training models to work together on tasks. In this paper, we present a first step toward "Multi-agent LLM training" (MALT) on reasoning problems. Our approach employs a sequential multi-agent setup with heterogeneous LLMs assigned specialized roles: a generator, verifier, and refinement model iteratively solving problems. We propose a trajectory-expansion-based synthetic data generation process and a credit assignment strategy driven by joint outcome based rewards. This enables our post-training setup to utilize both positive and negative trajectories to autonomously improve each model's specialized capabilities as part of a joint sequential system. We evaluate our approach across MATH, GSM8k, and CQA, where MALT on Llama 3.1 8B models achieves relative improvements of 14.14%, 7.12%, and 9.40% respectively over the same baseline model. This demonstrates an early advance in multi-agent cooperative capabilities for performance on mathematical and common sense reasoning questions. More generally, our work provides a concrete direction for research around multi-agent LLM training approaches.

AgentGym: Evolving Large Language Model-based Agents across Diverse Environments

Building generalist agents that can handle diverse tasks and evolve themselves across different environments is a long-term goal in the AI community. Large language models (LLMs) are considered a promising foundation to build such agents due to their generalized capabilities. Current approaches either have LLM-based agents imitate expert-provided trajectories step-by-step, requiring human supervision, which is hard to scale and limits environmental exploration; or they let agents explore and learn in isolated environments, resulting in specialist agents with limited generalization. In this paper, we take the first step towards building generally-capable LLM-based agents with self-evolution ability. We identify a trinity of ingredients: 1) diverse environments for agent exploration and learning, 2) a trajectory set to equip agents with basic capabilities and prior knowledge, and 3) an effective and scalable evolution method. We propose AgentGym, a new framework featuring a variety of environments and tasks for broad, real-time, uni-format, and concurrent agent exploration. AgentGym also includes a database with expanded instructions, a benchmark suite, and high-quality trajectories across environments. Next, we propose a novel method, AgentEvol, to investigate the potential of agent self-evolution beyond previously seen data across tasks and environments. Experimental results show that the evolved agents can achieve results comparable to SOTA models. We release the AgentGym suite, including the platform, dataset, benchmark, checkpoints, and algorithm implementations. The AgentGym suite is available on https://github.com/WooooDyy/AgentGym.

BoxingGym: Benchmarking Progress in Automated Experimental Design and Model Discovery

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to scientific discovery. Despite the significant promise of LLM-based scientific agents, no benchmarks systematically test LLM's ability to propose scientific models, collect experimental data, and revise them in light of new data. We introduce BoxingGym, a benchmark with 10 environments for systematically evaluating both experimental design (e.g. collecting data to test a scientific theory) and model discovery (e.g. proposing and revising scientific theories). To enable tractable and quantitative evaluation, we implement each environment as a generative probabilistic model with which a scientific agent can run interactive experiments. These probabilistic models are drawn from various real-world scientific domains ranging from psychology to ecology. To quantitatively evaluate a scientific agent's ability to collect informative experimental data, we compute the expected information gain (EIG), an information-theoretic quantity which measures how much an experiment reduces uncertainty about the parameters of a generative model. A good scientific theory is a concise and predictive explanation. Therefore, to quantitatively evaluate model discovery, we ask a scientific agent to explain their model and then assess whether this explanation enables another scientific agent to make reliable predictions about this environment. In addition to this explanation-based evaluation, we compute standard model evaluation metrics such as prediction errors. We find that current LLMs, such as GPT-4o, struggle with both experimental design and model discovery. We find that augmenting the LLM-based agent with an explicit statistical model does not reliably improve these results.

APIGen-MT: Agentic Pipeline for Multi-Turn Data Generation via Simulated Agent-Human Interplay

Training effective AI agents for multi-turn interactions requires high-quality data that captures realistic human-agent dynamics, yet such data is scarce and expensive to collect manually. We introduce APIGen-MT, a two-phase framework that generates verifiable and diverse multi-turn agent data. In the first phase, our agentic pipeline produces detailed task blueprints with ground-truth actions, leveraging a committee of LLM reviewers and iterative feedback loops. These blueprints are then transformed into complete interaction trajectories through simulated human-agent interplay. We train a family of models -- the xLAM-2-fc-r series with sizes ranging from 1B to 70B parameters. Our models outperform frontier models such as GPT-4o and Claude 3.5 on tau-bench and BFCL benchmarks, with the smaller models surpassing their larger counterparts, particularly in multi-turn settings, while maintaining superior consistency across multiple trials. Comprehensive experiments demonstrate that our verified blueprint-to-details approach yields high-quality training data, enabling the development of more reliable, efficient, and capable agents. We open-source both the synthetic data collected and the trained xLAM-2-fc-r models to advance research in AI agents. Models are available on HuggingFace at https://huggingface.co/collections/Salesforce/xlam-2-67ef5be12949d8dcdae354c4 and project website is https://apigen-mt.github.io

On the Design and Analysis of LLM-Based Algorithms

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

AgentRefine: Enhancing Agent Generalization through Refinement Tuning

Large Language Model (LLM) based agents have proved their ability to perform complex tasks like humans. However, there is still a large gap between open-sourced LLMs and commercial models like the GPT series. In this paper, we focus on improving the agent generalization capabilities of LLMs via instruction tuning. We first observe that the existing agent training corpus exhibits satisfactory results on held-in evaluation sets but fails to generalize to held-out sets. These agent-tuning works face severe formatting errors and are frequently stuck in the same mistake for a long while. We analyze that the poor generalization ability comes from overfitting to several manual agent environments and a lack of adaptation to new situations. They struggle with the wrong action steps and can not learn from the experience but just memorize existing observation-action relations. Inspired by the insight, we propose a novel AgentRefine framework for agent-tuning. The core idea is to enable the model to learn to correct its mistakes via observation in the trajectory. Specifically, we propose an agent synthesis framework to encompass a diverse array of environments and tasks and prompt a strong LLM to refine its error action according to the environment feedback. AgentRefine significantly outperforms state-of-the-art agent-tuning work in terms of generalization ability on diverse agent tasks. It also has better robustness facing perturbation and can generate diversified thought in inference. Our findings establish the correlation between agent generalization and self-refinement and provide a new paradigm for future research.

Multi-Agent Collaboration Mechanisms: A Survey of LLMs

With recent advances in Large Language Models (LLMs), Agentic AI has become phenomenal in real-world applications, moving toward multiple LLM-based agents to perceive, learn, reason, and act collaboratively. These LLM-based Multi-Agent Systems (MASs) enable groups of intelligent agents to coordinate and solve complex tasks collectively at scale, transitioning from isolated models to collaboration-centric approaches. This work provides an extensive survey of the collaborative aspect of MASs and introduces an extensible framework to guide future research. Our framework characterizes collaboration mechanisms based on key dimensions: actors (agents involved), types (e.g., cooperation, competition, or coopetition), structures (e.g., peer-to-peer, centralized, or distributed), strategies (e.g., role-based or model-based), and coordination protocols. Through a review of existing methodologies, our findings serve as a foundation for demystifying and advancing LLM-based MASs toward more intelligent and collaborative solutions for complex, real-world use cases. In addition, various applications of MASs across diverse domains, including 5G/6G networks, Industry 5.0, question answering, and social and cultural settings, are also investigated, demonstrating their wider adoption and broader impacts. Finally, we identify key lessons learned, open challenges, and potential research directions of MASs towards artificial collective intelligence.

AutoLibra: Agent Metric Induction from Open-Ended Feedback

Agents are predominantly evaluated and optimized via task success metrics, which are coarse, rely on manual design from experts, and fail to reward intermediate emergent behaviors. We propose AutoLibra, a framework for agent evaluation, that transforms open-ended human feedback, e.g., "If you find that the button is disabled, don't click it again", or "This agent has too much autonomy to decide what to do on its own", into metrics for evaluating fine-grained behaviors in agent trajectories. AutoLibra accomplishes this by grounding feedback to an agent's behavior, clustering similar positive and negative behaviors, and creating concrete metrics with clear definitions and concrete examples, which can be used for prompting LLM-as-a-Judge as evaluators. We further propose two meta-metrics to evaluate the alignment of a set of (induced) metrics with open feedback: "coverage" and "redundancy". Through optimizing these meta-metrics, we experimentally demonstrate AutoLibra's ability to induce more concrete agent evaluation metrics than the ones proposed in previous agent evaluation benchmarks and discover new metrics to analyze agents. We also present two applications of AutoLibra in agent improvement: First, we show that AutoLibra-induced metrics serve as better prompt-engineering targets than the task success rate on a wide range of text game tasks, improving agent performance over baseline by a mean of 20%. Second, we show that AutoLibra can iteratively select high-quality fine-tuning data for web navigation agents. Our results suggest that AutoLibra is a powerful task-agnostic tool for evaluating and improving language agents.

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.

Proactive Agent: Shifting LLM Agents from Reactive Responses to Active Assistance

Agents powered by large language models have shown remarkable abilities in solving complex tasks. However, most agent systems remain reactive, limiting their effectiveness in scenarios requiring foresight and autonomous decision-making. In this paper, we tackle the challenge of developing proactive agents capable of anticipating and initiating tasks without explicit human instructions. We propose a novel data-driven approach for this problem. Firstly, we collect real-world human activities to generate proactive task predictions. These predictions are then labeled by human annotators as either accepted or rejected. The labeled data is used to train a reward model that simulates human judgment and serves as an automatic evaluator of the proactiveness of LLM agents. Building on this, we develop a comprehensive data generation pipeline to create a diverse dataset, ProactiveBench, containing 6,790 events. Finally, we demonstrate that fine-tuning models with the proposed ProactiveBench can significantly elicit the proactiveness of LLM agents. Experimental results show that our fine-tuned model achieves an F1-Score of 66.47% in proactively offering assistance, outperforming all open-source and close-source models. These results highlight the potential of our method in creating more proactive and effective agent systems, paving the way for future advancements in human-agent collaboration.

Pangu-Agent: A Fine-Tunable Generalist Agent with Structured Reasoning

A key method for creating Artificial Intelligence (AI) agents is Reinforcement Learning (RL). However, constructing a standalone RL policy that maps perception to action directly encounters severe problems, chief among them being its lack of generality across multiple tasks and the need for a large amount of training data. The leading cause is that it cannot effectively integrate prior information into the perception-action cycle when devising the policy. Large language models (LLMs) emerged as a fundamental way to incorporate cross-domain knowledge into AI agents but lack crucial learning and adaptation toward specific decision problems. This paper presents a general framework model for integrating and learning structured reasoning into AI agents' policies. Our methodology is motivated by the modularity found in the human brain. The framework utilises the construction of intrinsic and extrinsic functions to add previous understandings of reasoning structures. It also provides the adaptive ability to learn models inside every module or function, consistent with the modular structure of cognitive processes. We describe the framework in-depth and compare it with other AI pipelines and existing frameworks. The paper explores practical applications, covering experiments that show the effectiveness of our method. Our results indicate that AI agents perform and adapt far better when organised reasoning and prior knowledge are embedded. This opens the door to more resilient and general AI agent systems.

SimuRA: Towards General Goal-Oriented Agent via Simulative Reasoning Architecture with LLM-Based World Model

AI agents built on large language models (LLMs) hold enormous promise, but current practice focuses on a one-task-one-agent approach, which not only falls short of scalability and generality, but also suffers from the fundamental limitations of autoregressive LLMs. On the other hand, humans are general agents who reason by mentally simulating the outcomes of their actions and plans. Moving towards a more general and powerful AI agent, we introduce SimuRA, a goal-oriented architecture for generalized agentic reasoning. Based on a principled formulation of optimal agent in any environment, \modelname overcomes the limitations of autoregressive reasoning by introducing a world model for planning via simulation. The generalized world model is implemented using LLM, which can flexibly plan in a wide range of environments using the concept-rich latent space of natural language. Experiments on difficult web browsing tasks show that \modelname improves the success of flight search from 0\% to 32.2\%. World-model-based planning, in particular, shows consistent advantage of up to 124\% over autoregressive planning, demonstrating the advantage of world model simulation as a reasoning paradigm. We are excited about the possibility for training a single, general agent model based on LLMs that can act superintelligently in all environments. To start, we make SimuRA, a web-browsing agent built on \modelname with pretrained LLMs, available as a research demo for public testing.

MDAgents: An Adaptive Collaboration of LLMs for Medical Decision-Making

Foundation models are becoming valuable tools in medicine. Yet despite their promise, the best way to leverage Large Language Models (LLMs) in complex medical tasks remains an open question. We introduce a novel multi-agent framework, named Medical Decision-making Agents (MDAgents) that helps address this gap by automatically assigning a collaboration structure to a team of LLMs. The assigned solo or group collaboration structure is tailored to the medical task at hand, emulating real-world medical decision-making processes adapted to tasks of varying complexities. We evaluate our framework and baseline methods using state-of-the-art LLMs across a suite of real-world medical knowledge and medical diagnosis benchmarks, including a comparison of LLMs' medical complexity classification against human physicians. MDAgents achieved the best performance in seven out of ten benchmarks on tasks requiring an understanding of medical knowledge and multi-modal reasoning, showing a significant improvement of up to 4.2% (p < 0.05) compared to previous methods' best performances. Ablation studies reveal that MDAgents effectively determines medical complexity to optimize for efficiency and accuracy across diverse medical tasks. Notably, the combination of moderator review and external medical knowledge in group collaboration resulted in an average accuracy improvement of 11.8%. Our code can be found at https://github.com/mitmedialab/MDAgents.

Advances and Challenges in Foundation Agents: From Brain-Inspired Intelligence to Evolutionary, Collaborative, and Safe Systems

The advent of large language models (LLMs) has catalyzed a transformative shift in artificial intelligence, paving the way for advanced intelligent agents capable of sophisticated reasoning, robust perception, and versatile action across diverse domains. As these agents increasingly drive AI research and practical applications, their design, evaluation, and continuous improvement present intricate, multifaceted challenges. This survey provides a comprehensive overview, framing intelligent agents within a modular, brain-inspired architecture that integrates principles from cognitive science, neuroscience, and computational research. We structure our exploration into four interconnected parts. First, we delve into the modular foundation of intelligent agents, systematically mapping their cognitive, perceptual, and operational modules onto analogous human brain functionalities, and elucidating core components such as memory, world modeling, reward processing, and emotion-like systems. Second, we discuss self-enhancement and adaptive evolution mechanisms, exploring how agents autonomously refine their capabilities, adapt to dynamic environments, and achieve continual learning through automated optimization paradigms, including emerging AutoML and LLM-driven optimization strategies. Third, we examine collaborative and evolutionary multi-agent systems, investigating the collective intelligence emerging from agent interactions, cooperation, and societal structures, highlighting parallels to human social dynamics. Finally, we address the critical imperative of building safe, secure, and beneficial AI systems, emphasizing intrinsic and extrinsic security threats, ethical alignment, robustness, and practical mitigation strategies necessary for trustworthy real-world deployment.

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.

When AI Meets Finance (StockAgent): Large Language Model-based Stock Trading in Simulated Real-world Environments

Can AI Agents simulate real-world trading environments to investigate the impact of external factors on stock trading activities (e.g., macroeconomics, policy changes, company fundamentals, and global events)? These factors, which frequently influence trading behaviors, are critical elements in the quest for maximizing investors' profits. Our work attempts to solve this problem through large language model based agents. We have developed a multi-agent AI system called StockAgent, driven by LLMs, designed to simulate investors' trading behaviors in response to the real stock market. The StockAgent allows users to evaluate the impact of different external factors on investor trading and to analyze trading behavior and profitability effects. Additionally, StockAgent avoids the test set leakage issue present in existing trading simulation systems based on AI Agents. Specifically, it prevents the model from leveraging prior knowledge it may have acquired related to the test data. We evaluate different LLMs under the framework of StockAgent in a stock trading environment that closely resembles real-world conditions. The experimental results demonstrate the impact of key external factors on stock market trading, including trading behavior and stock price fluctuation rules. This research explores the study of agents' free trading gaps in the context of no prior knowledge related to market data. The patterns identified through StockAgent simulations provide valuable insights for LLM-based investment advice and stock recommendation. The code is available at https://github.com/MingyuJ666/Stockagent.

AgentTuning: Enabling Generalized Agent Abilities for LLMs

Open large language models (LLMs) with great performance in various tasks have significantly advanced the development of LLMs. However, they are far inferior to commercial models such as ChatGPT and GPT-4 when acting as agents to tackle complex tasks in the real world. These agent tasks employ LLMs as the central controller responsible for planning, memorization, and tool utilization, necessitating both fine-grained prompting methods and robust LLMs to achieve satisfactory performance. Though many prompting methods have been proposed to complete particular agent tasks, there is lack of research focusing on improving the agent capabilities of LLMs themselves without compromising their general abilities. In this work, we present AgentTuning, a simple and general method to enhance the agent abilities of LLMs while maintaining their general LLM capabilities. We construct AgentInstruct, a lightweight instruction-tuning dataset containing high-quality interaction trajectories. We employ a hybrid instruction-tuning strategy by combining AgentInstruct with open-source instructions from general domains. AgentTuning is used to instruction-tune the Llama 2 series, resulting in AgentLM. Our evaluations show that AgentTuning enables LLMs' agent capabilities without compromising general abilities. The AgentLM-70B is comparable to GPT-3.5-turbo on unseen agent tasks, demonstrating generalized agent capabilities. We open source the AgentInstruct and AgentLM-7B, 13B, and 70B models at https://github.com/THUDM/AgentTuning , serving open and powerful alternatives to commercial LLMs for agent tasks.

ProAgent: Building Proactive Cooperative AI with Large Language Models

Building AIs with adaptive behaviors in human-AI cooperation stands as a pivotal focus in AGI research. Current methods for developing cooperative agents predominantly rely on learning-based methods, where policy generalization heavily hinges on past interactions with specific teammates. These approaches constrain the agent's capacity to recalibrate its strategy when confronted with novel teammates. We propose ProAgent, a novel framework that harnesses large language models (LLMs) to fashion a proactive agent empowered with the ability to anticipate teammates' forthcoming decisions and formulate enhanced plans for itself. ProAgent excels at cooperative reasoning with the capacity to dynamically adapt its behavior to enhance collaborative efforts with teammates. Moreover, the ProAgent framework exhibits a high degree of modularity and interpretability, facilitating seamless integration to address a wide array of coordination scenarios. Experimental evaluations conducted within the framework of Overcook-AI unveil the remarkable performance superiority of ProAgent, outperforming five methods based on self-play and population-based training in cooperation with AI agents. Further, when cooperating with human proxy models, its performance exhibits an average improvement exceeding 10\% compared to the current state-of-the-art, COLE. The advancement was consistently observed across diverse scenarios involving interactions with both AI agents of varying characteristics and human counterparts. These findings inspire future research for human-robot collaborations. For a hands-on demonstration, please visit https://pku-proagent.github.io.

Revisiting Multi-Agent Debate as Test-Time Scaling: A Systematic Study of Conditional Effectiveness

The remarkable growth in large language model (LLM) capabilities has spurred exploration into multi-agent systems, with debate frameworks emerging as a promising avenue for enhanced problem-solving. These multi-agent debate (MAD) approaches, where agents collaboratively present, critique, and refine arguments, potentially offer improved reasoning, robustness, and diverse perspectives over monolithic models. Despite prior studies leveraging MAD, a systematic understanding of its effectiveness compared to self-agent methods, particularly under varying conditions, remains elusive. This paper seeks to fill this gap by conceptualizing MAD as a test-time computational scaling technique, distinguished by collaborative refinement and diverse exploration capabilities. We conduct a comprehensive empirical investigation comparing MAD with strong self-agent test-time scaling baselines on mathematical reasoning and safety-related tasks. Our study systematically examines the influence of task difficulty, model scale, and agent diversity on MAD's performance. Key findings reveal that, for mathematical reasoning, MAD offers limited advantages over self-agent scaling but becomes more effective with increased problem difficulty and decreased model capability, while agent diversity shows little benefit. Conversely, for safety tasks, MAD's collaborative refinement can increase vulnerability, but incorporating diverse agent configurations facilitates a gradual reduction in attack success through the collaborative refinement process. We believe our findings provide critical guidance for the future development of more effective and strategically deployed MAD systems.

Improving Autonomous AI Agents with Reflective Tree Search and Self-Learning

Autonomous agents have demonstrated significant potential in automating complex multistep decision-making tasks. However, even state-of-the-art vision-language models (VLMs), such as GPT-4o, still fall short of human-level performance, particularly in intricate web environments and long-horizon planning tasks. To address these limitations, we introduce Reflective Monte Carlo Tree Search (R-MCTS), a novel test-time algorithm designed to enhance the ability of AI agents, e.g., powered by GPT-4o, to explore decision space on the fly. R-MCTS extends traditional MCTS by 1) incorporating contrastive reflection, allowing agents to learn from past interactions and dynamically improve their search efficiency; and 2) using multi-agent debate to provide reliable state evaluation. Moreover, we improve the agent's performance by fine-tuning GPT-4o through self-learning, using R-MCTS generated tree traversals without any human-provided labels. On the challenging VisualWebArena benchmark, our GPT-4o-based R-MCTS agent achieves a 6% to 30% relative improvement across various tasks compared to the previous state-of-the-art. Additionally, we show that the knowledge gained from test-time search can be effectively transferred back to GPT-4o via fine-tuning. The fine-tuned GPT-4o matches 97% of R-MCTS's performance while reducing compute usage by a factor of four at test time. Furthermore, qualitative results reveal that the fine-tuned GPT-4o model demonstrates the ability to explore the environment, evaluate a state, and backtrack to viable ones when it detects that the current state cannot lead to success. Moreover, our work demonstrates the compute scaling properties in both training - data collection with R-MCTS - and testing time. These results suggest a promising research direction to enhance VLMs' reasoning and planning capabilities for agentic applications via test-time search and self-learning.

Mind2Web: Towards a Generalist Agent for the Web

We introduce Mind2Web, the first dataset for developing and evaluating generalist agents for the web that can follow language instructions to complete complex tasks on any website. Existing datasets for web agents either use simulated websites or only cover a limited set of websites and tasks, thus not suitable for generalist web agents. With over 2,000 open-ended tasks collected from 137 websites spanning 31 domains and crowdsourced action sequences for the tasks, Mind2Web provides three necessary ingredients for building generalist web agents: 1) diverse domains, websites, and tasks, 2) use of real-world websites instead of simulated and simplified ones, and 3) a broad spectrum of user interaction patterns. Based on Mind2Web, we conduct an initial exploration of using large language models (LLMs) for building generalist web agents. While the raw HTML of real-world websites are often too large to be fed to LLMs, we show that first filtering it with a small LM significantly improves the effectiveness and efficiency of LLMs. Our solution demonstrates a decent level of performance, even on websites or entire domains the model has never seen before, but there is still a substantial room to improve towards truly generalizable agents. We open-source our dataset, model implementation, and trained models (https://osu-nlp-group.github.io/Mind2Web) to facilitate further research on building a generalist agent for the web.

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.

MLGym: A New Framework and Benchmark for Advancing AI Research Agents

We introduce Meta MLGym and MLGym-Bench, a new framework and benchmark for evaluating and developing LLM agents on AI research tasks. This is the first Gym environment for machine learning (ML) tasks, enabling research on reinforcement learning (RL) algorithms for training such agents. MLGym-bench consists of 13 diverse and open-ended AI research tasks from diverse domains such as computer vision, natural language processing, reinforcement learning, and game theory. Solving these tasks requires real-world AI research skills such as generating new ideas and hypotheses, creating and processing data, implementing ML methods, training models, running experiments, analyzing the results, and iterating through this process to improve on a given task. We evaluate a number of frontier large language models (LLMs) on our benchmarks such as Claude-3.5-Sonnet, Llama-3.1 405B, GPT-4o, o1-preview, and Gemini-1.5 Pro. Our MLGym framework makes it easy to add new tasks, integrate and evaluate models or agents, generate synthetic data at scale, as well as develop new learning algorithms for training agents on AI research tasks. We find that current frontier models can improve on the given baselines, usually by finding better hyperparameters, but do not generate novel hypotheses, algorithms, architectures, or substantial improvements. We open-source our framework and benchmark to facilitate future research in advancing the AI research capabilities of LLM agents.

Open-Ended Learning Leads to Generally Capable Agents

In this work we create agents that can perform well beyond a single, individual task, that exhibit much wider generalisation of behaviour to a massive, rich space of challenges. We define a universe of tasks within an environment domain and demonstrate the ability to train agents that are generally capable across this vast space and beyond. The environment is natively multi-agent, spanning the continuum of competitive, cooperative, and independent games, which are situated within procedurally generated physical 3D worlds. The resulting space is exceptionally diverse in terms of the challenges posed to agents, and as such, even measuring the learning progress of an agent is an open research problem. We propose an iterative notion of improvement between successive generations of agents, rather than seeking to maximise a singular objective, allowing us to quantify progress despite tasks being incomparable in terms of achievable rewards. We show that through constructing an open-ended learning process, which dynamically changes the training task distributions and training objectives such that the agent never stops learning, we achieve consistent learning of new behaviours. The resulting agent is able to score reward in every one of our humanly solvable evaluation levels, with behaviour generalising to many held-out points in the universe of tasks. Examples of this zero-shot generalisation include good performance on Hide and Seek, Capture the Flag, and Tag. Through analysis and hand-authored probe tasks we characterise the behaviour of our agent, and find interesting emergent heuristic behaviours such as trial-and-error experimentation, simple tool use, option switching, and cooperation. Finally, we demonstrate that the general capabilities of this agent could unlock larger scale transfer of behaviour through cheap finetuning.

FinMem: A Performance-Enhanced LLM Trading Agent with Layered Memory and Character Design

Recent advancements in Large Language Models (LLMs) have exhibited notable efficacy in question-answering (QA) tasks across diverse domains. Their prowess in integrating extensive web knowledge has fueled interest in developing LLM-based autonomous agents. While LLMs are efficient in decoding human instructions and deriving solutions by holistically processing historical inputs, transitioning to purpose-driven agents requires a supplementary rational architecture to process multi-source information, establish reasoning chains, and prioritize critical tasks. Addressing this, we introduce FinMem, a novel LLM-based agent framework devised for financial decision-making. It encompasses three core modules: Profiling, to customize the agent's characteristics; Memory, with layered message processing, to aid the agent in assimilating hierarchical financial data; and Decision-making, to convert insights gained from memories into investment decisions. Notably, FinMem's memory module aligns closely with the cognitive structure of human traders, offering robust interpretability and real-time tuning. Its adjustable cognitive span allows for the retention of critical information beyond human perceptual limits, thereby enhancing trading outcomes. This framework enables the agent to self-evolve its professional knowledge, react agilely to new investment cues, and continuously refine trading decisions in the volatile financial environment. We first compare FinMem with various algorithmic agents on a scalable real-world financial dataset, underscoring its leading trading performance in stocks. We then fine-tuned the agent's perceptual span and character setting to achieve a significantly enhanced trading performance. Collectively, FinMem presents a cutting-edge LLM agent framework for automated trading, boosting cumulative investment returns.

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.

MARFT: Multi-Agent Reinforcement Fine-Tuning

LLM-based Multi-Agent Systems have demonstrated remarkable capabilities in addressing complex, agentic tasks, from generating high-quality presentation slides to even conducting sophisticated scientific research. Meanwhile, RL has been widely recognized for its effectiveness in enhancing agent intelligence, but limited research has investigated the fine-tuning of LaMAS using foundational RL techniques. Moreover, the direct application of MARL methods to LaMAS introduces significant challenges, stemming from the unique characteristics and mechanisms inherent to LaMAS. To address these challenges, this article presents a comprehensive study of LLM-based MARL and proposes a novel paradigm termed Multi-Agent Reinforcement Fine-Tuning (MARFT). We introduce a brand-new POMDP called Flex-POMDP, which aligns with the LaMAS optimization in real-world applications and a universal algorithmic framework tailored specifically for LaMAS, outlining the conceptual foundations, key distinctions, and practical implementation strategies. We review the evolution from RL to RFT, setting the stage for a parallel analysis in the multi-agent domain. In the context of LaMAS, we elucidate critical differences between MARL and MARFT. These differences motivate a transition toward a LaMAS-oriented formulation of RFT. Central to this work is a robust and scalable MARFT framework. We detail the core algorithm and provide a complete, open-source implementation to facilitate adoption and further research. The latter sections of the paper explore real-world application perspectives and opening challenges in MARFT. By bridging theoretical underpinnings with practical methodologies, this work serves as a roadmap for researchers seeking to advance MARFT toward resilient and adaptive solutions in agentic systems. Our implementation of the proposed framework is publicly available at: https://github.com/jwliao-ai/MARFT.

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

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

ChatGPT as your Personal Data Scientist

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

A Comprehensive Survey of Mixture-of-Experts: Algorithms, Theory, and Applications

Artificial intelligence (AI) has achieved astonishing successes in many domains, especially with the recent breakthroughs in the development of foundational large models. These large models, leveraging their extensive training data, provide versatile solutions for a wide range of downstream tasks. However, as modern datasets become increasingly diverse and complex, the development of large AI models faces two major challenges: (1) the enormous consumption of computational resources and deployment difficulties, and (2) the difficulty in fitting heterogeneous and complex data, which limits the usability of the models. Mixture of Experts (MoE) models has recently attracted much attention in addressing these challenges, by dynamically selecting and activating the most relevant sub-models to process input data. It has been shown that MoEs can significantly improve model performance and efficiency with fewer resources, particularly excelling in handling large-scale, multimodal data. Given the tremendous potential MoE has demonstrated across various domains, it is urgent to provide a comprehensive summary of recent advancements of MoEs in many important fields. Existing surveys on MoE have their limitations, e.g., being outdated or lacking discussion on certain key areas, and we aim to address these gaps. In this paper, we first introduce the basic design of MoE, including gating functions, expert networks, routing mechanisms, training strategies, and system design. We then explore the algorithm design of MoE in important machine learning paradigms such as continual learning, meta-learning, multi-task learning, and reinforcement learning. Additionally, we summarize theoretical studies aimed at understanding MoE and review its applications in computer vision and natural language processing. Finally, we discuss promising future research directions.

Small Language Models are the Future of Agentic AI

Large language models (LLMs) are often praised for exhibiting near-human performance on a wide range of tasks and valued for their ability to hold a general conversation. The rise of agentic AI systems is, however, ushering in a mass of applications in which language models perform a small number of specialized tasks repetitively and with little variation. Here we lay out the position that small language models (SLMs) are sufficiently powerful, inherently more suitable, and necessarily more economical for many invocations in agentic systems, and are therefore the future of agentic AI. Our argumentation is grounded in the current level of capabilities exhibited by SLMs, the common architectures of agentic systems, and the economy of LM deployment. We further argue that in situations where general-purpose conversational abilities are essential, heterogeneous agentic systems (i.e., agents invoking multiple different models) are the natural choice. We discuss the potential barriers for the adoption of SLMs in agentic systems and outline a general LLM-to-SLM agent conversion algorithm. Our position, formulated as a value statement, highlights the significance of the operational and economic impact even a partial shift from LLMs to SLMs is to have on the AI agent industry. We aim to stimulate the discussion on the effective use of AI resources and hope to advance the efforts to lower the costs of AI of the present day. Calling for both contributions to and critique of our position, we commit to publishing all such correspondence at https://research.nvidia.com/labs/lpr/slm-agents.

WebArena: A Realistic Web Environment for Building Autonomous Agents

With generative AI advances, the exciting potential for autonomous agents to manage daily tasks via natural language commands has emerged. However, cur rent agents are primarily created and tested in simplified synthetic environments, substantially limiting real-world scenario representation. In this paper, we build an environment for agent command and control that is highly realistic and reproducible. Specifically, we focus on agents that perform tasks on websites, and we create an environment with fully functional websites from four common domains: e-commerce, social forum discussions, collaborative software development, and content management. Our environment is enriched with tools (e.g., a map) and external knowledge bases (e.g., user manuals) to encourage human-like task-solving. Building upon our environment, we release a set of benchmark tasks focusing on evaluating the functional correctness of task completions. The tasks in our benchmark are diverse, long-horizon, and are designed to emulate tasks that humans routinely perform on the internet. We design and implement several autonomous agents, integrating recent techniques such as reasoning before acting. The results demonstrate that solving complex tasks is challenging: our best GPT-4-based agent only achieves an end-to-end task success rate of 10.59%. These results highlight the need for further development of robust agents, that current state-of-the-art LMs are far from perfect performance in these real-life tasks, and that WebArena can be used to measure such progress. Our code, data, environment reproduction resources, and video demonstrations are publicly available at https://webarena.dev/.

Game On: Towards Language Models as RL Experimenters

We propose an agent architecture that automates parts of the common reinforcement learning experiment workflow, to enable automated mastery of control domains for embodied agents. To do so, it leverages a VLM to perform some of the capabilities normally required of a human experimenter, including the monitoring and analysis of experiment progress, the proposition of new tasks based on past successes and failures of the agent, decomposing tasks into a sequence of subtasks (skills), and retrieval of the skill to execute - enabling our system to build automated curricula for learning. We believe this is one of the first proposals for a system that leverages a VLM throughout the full experiment cycle of reinforcement learning. We provide a first prototype of this system, and examine the feasibility of current models and techniques for the desired level of automation. For this, we use a standard Gemini model, without additional fine-tuning, to provide a curriculum of skills to a language-conditioned Actor-Critic algorithm, in order to steer data collection so as to aid learning new skills. Data collected in this way is shown to be useful for learning and iteratively improving control policies in a robotics domain. Additional examination of the ability of the system to build a growing library of skills, and to judge the progress of the training of those skills, also shows promising results, suggesting that the proposed architecture provides a potential recipe for fully automated mastery of tasks and domains for embodied agents.

From LLMs to LLM-based Agents for Software Engineering: A Survey of Current, Challenges and Future

With the rise of large language models (LLMs), researchers are increasingly exploring their applications in var ious vertical domains, such as software engineering. LLMs have achieved remarkable success in areas including code generation and vulnerability detection. However, they also exhibit numerous limitations and shortcomings. LLM-based agents, a novel tech nology with the potential for Artificial General Intelligence (AGI), combine LLMs as the core for decision-making and action-taking, addressing some of the inherent limitations of LLMs such as lack of autonomy and self-improvement. Despite numerous studies and surveys exploring the possibility of using LLMs in software engineering, it lacks a clear distinction between LLMs and LLM based agents. It is still in its early stage for a unified standard and benchmarking to qualify an LLM solution as an LLM-based agent in its domain. In this survey, we broadly investigate the current practice and solutions for LLMs and LLM-based agents for software engineering. In particular we summarise six key topics: requirement engineering, code generation, autonomous decision-making, software design, test generation, and software maintenance. We review and differentiate the work of LLMs and LLM-based agents from these six topics, examining their differences and similarities in tasks, benchmarks, and evaluation metrics. Finally, we discuss the models and benchmarks used, providing a comprehensive analysis of their applications and effectiveness in software engineering. We anticipate this work will shed some lights on pushing the boundaries of LLM-based agents in software engineering for future research.

The Ultimate Guide to Fine-Tuning LLMs from Basics to Breakthroughs: An Exhaustive Review of Technologies, Research, Best Practices, Applied Research Challenges and Opportunities

This report examines the fine-tuning of Large Language Models (LLMs), integrating theoretical insights with practical applications. It outlines the historical evolution of LLMs from traditional Natural Language Processing (NLP) models to their pivotal role in AI. A comparison of fine-tuning methodologies, including supervised, unsupervised, and instruction-based approaches, highlights their applicability to different tasks. The report introduces a structured seven-stage pipeline for fine-tuning LLMs, spanning data preparation, model initialization, hyperparameter tuning, and model deployment. Emphasis is placed on managing imbalanced datasets and optimization techniques. Parameter-efficient methods like Low-Rank Adaptation (LoRA) and Half Fine-Tuning are explored for balancing computational efficiency with performance. Advanced techniques such as memory fine-tuning, Mixture of Experts (MoE), and Mixture of Agents (MoA) are discussed for leveraging specialized networks and multi-agent collaboration. The report also examines novel approaches like Proximal Policy Optimization (PPO) and Direct Preference Optimization (DPO), which align LLMs with human preferences, alongside pruning and routing optimizations to improve efficiency. Further sections cover validation frameworks, post-deployment monitoring, and inference optimization, with attention to deploying LLMs on distributed and cloud-based platforms. Emerging areas such as multimodal LLMs, fine-tuning for audio and speech, and challenges related to scalability, privacy, and accountability are also addressed. This report offers actionable insights for researchers and practitioners navigating LLM fine-tuning in an evolving landscape.

Agent Q: Advanced Reasoning and Learning for Autonomous AI Agents

Large Language Models (LLMs) have shown remarkable capabilities in natural language tasks requiring complex reasoning, yet their application in agentic, multi-step reasoning within interactive environments remains a difficult challenge. Traditional supervised pre-training on static datasets falls short in enabling autonomous agent capabilities needed to perform complex decision-making in dynamic settings like web navigation. Previous attempts to bridge this ga-through supervised fine-tuning on curated expert demonstrations-often suffer from compounding errors and limited exploration data, resulting in sub-optimal policy outcomes. To overcome these challenges, we propose a framework that combines guided Monte Carlo Tree Search (MCTS) search with a self-critique mechanism and iterative fine-tuning on agent interactions using an off-policy variant of the Direct Preference Optimization (DPO) algorithm. Our method allows LLM agents to learn effectively from both successful and unsuccessful trajectories, thereby improving their generalization in complex, multi-step reasoning tasks. We validate our approach in the WebShop environment-a simulated e-commerce platform where it consistently outperforms behavior cloning and reinforced fine-tuning baseline, and beats average human performance when equipped with the capability to do online search. In real-world booking scenarios, our methodology boosts Llama-3 70B model's zero-shot performance from 18.6% to 81.7% success rate (a 340% relative increase) after a single day of data collection and further to 95.4% with online search. We believe this represents a substantial leap forward in the capabilities of autonomous agents, paving the way for more sophisticated and reliable decision-making in real-world settings.

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.

AgentStore: Scalable Integration of Heterogeneous Agents As Specialized Generalist Computer Assistant

Digital agents capable of automating complex computer tasks have attracted considerable attention due to their immense potential to enhance human-computer interaction. However, existing agent methods exhibit deficiencies in their generalization and specialization capabilities, especially in handling open-ended computer tasks in real-world environments. Inspired by the rich functionality of the App store, we present AgentStore, a scalable platform designed to dynamically integrate heterogeneous agents for automating computer tasks. AgentStore empowers users to integrate third-party agents, allowing the system to continuously enrich its capabilities and adapt to rapidly evolving operating systems. Additionally, we propose a novel core MetaAgent with the AgentToken strategy to efficiently manage diverse agents and utilize their specialized and generalist abilities for both domain-specific and system-wide tasks. Extensive experiments on three challenging benchmarks demonstrate that AgentStore surpasses the limitations of previous systems with narrow capabilities, particularly achieving a significant improvement from 11.21\% to 23.85\% on the OSWorld benchmark, more than doubling the previous results. Comprehensive quantitative and qualitative results further demonstrate AgentStore's ability to enhance agent systems in both generalization and specialization, underscoring its potential for developing the specialized generalist computer assistant. All our codes will be made publicly available in https://chengyou-jia.github.io/AgentStore-Home.