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Feb 18

CACTUS: Chemistry Agent Connecting Tool-Usage to Science

Large language models (LLMs) have shown remarkable potential in various domains, but they often lack the ability to access and reason over domain-specific knowledge and tools. In this paper, we introduced CACTUS (Chemistry Agent Connecting Tool-Usage to Science), an LLM-based agent that integrates cheminformatics tools to enable advanced reasoning and problem-solving in chemistry and molecular discovery. We evaluate the performance of CACTUS using a diverse set of open-source LLMs, including Gemma-7b, Falcon-7b, MPT-7b, Llama2-7b, and Mistral-7b, on a benchmark of thousands of chemistry questions. Our results demonstrate that CACTUS significantly outperforms baseline LLMs, with the Gemma-7b and Mistral-7b models achieving the highest accuracy regardless of the prompting strategy used. Moreover, we explore the impact of domain-specific prompting and hardware configurations on model performance, highlighting the importance of prompt engineering and the potential for deploying smaller models on consumer-grade hardware without significant loss in accuracy. By combining the cognitive capabilities of open-source LLMs with domain-specific tools, CACTUS can assist researchers in tasks such as molecular property prediction, similarity searching, and drug-likeness assessment. Furthermore, CACTUS represents a significant milestone in the field of cheminformatics, offering an adaptable tool for researchers engaged in chemistry and molecular discovery. By integrating the strengths of open-source LLMs with domain-specific tools, CACTUS has the potential to accelerate scientific advancement and unlock new frontiers in the exploration of novel, effective, and safe therapeutic candidates, catalysts, and materials. Moreover, CACTUS's ability to integrate with automated experimentation platforms and make data-driven decisions in real time opens up new possibilities for autonomous discovery.

  • 6 authors
·
May 1, 2024

Youtu-Agent: Scaling Agent Productivity with Automated Generation and Hybrid Policy Optimization

Existing Large Language Model (LLM) agent frameworks face two significant challenges: high configuration costs and static capabilities. Building a high-quality agent often requires extensive manual effort in tool integration and prompt engineering, while deployed agents struggle to adapt to dynamic environments without expensive fine-tuning. To address these issues, we propose Youtu-Agent, a modular framework designed for the automated generation and continuous evolution of LLM agents. Youtu-Agent features a structured configuration system that decouples execution environments, toolkits, and context management, enabling flexible reuse and automated synthesis. We introduce two generation paradigms: a Workflow mode for standard tasks and a Meta-Agent mode for complex, non-standard requirements, capable of automatically generating tool code, prompts, and configurations. Furthermore, Youtu-Agent establishes a hybrid policy optimization system: (1) an Agent Practice module that enables agents to accumulate experience and improve performance through in-context optimization without parameter updates; and (2) an Agent RL module that integrates with distributed training frameworks to enable scalable and stable reinforcement learning of any Youtu-Agents in an end-to-end, large-scale manner. Experiments demonstrate that Youtu-Agent achieves state-of-the-art performance on WebWalkerQA (71.47\%) and GAIA (72.8\%) using open-weight models. Our automated generation pipeline achieves over 81\% tool synthesis success rate, while the Practice module improves performance on AIME 2024/2025 by +2.7\% and +5.4\% respectively. Moreover, our Agent RL training achieves 40\% speedup with steady performance improvement on 7B LLMs, enhancing coding/reasoning and searching capabilities respectively up to 35\% and 21\% on Maths and general/multi-hop QA benchmarks.

tencent Tencent
·
Dec 30, 2025 5

Knowledge-enhanced Agents for Interactive Text Games

Communication via natural language is a crucial aspect of intelligence, and it requires computational models to learn and reason about world concepts, with varying levels of supervision. While there has been significant progress made on fully-supervised non-interactive tasks, such as question-answering and procedural text understanding, much of the community has turned to various sequential interactive tasks, as in semi-Markov text-based games, which have revealed limitations of existing approaches in terms of coherence, contextual awareness, and their ability to learn effectively from the environment. In this paper, we propose a framework for enabling improved functional grounding of agents in text-based games. Specifically, we consider two forms of domain knowledge that we inject into learning-based agents: memory of previous correct actions and affordances of relevant objects in the environment. Our framework supports three representative model classes: `pure' reinforcement learning (RL) agents, RL agents enhanced with knowledge graphs, and agents equipped with language models. Furthermore, we devise multiple injection strategies for the above domain knowledge types and agent architectures, including injection via knowledge graphs and augmentation of the existing input encoding strategies. We perform all experiments on the ScienceWorld text-based game environment, to illustrate the performance of various model configurations in challenging science-related instruction-following tasks. Our findings provide crucial insights on the development of effective natural language processing systems for interactive contexts.

  • 5 authors
·
May 8, 2023

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

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

  • 7 authors
·
Oct 1, 2025 2

Code2MCP: A Multi-Agent Framework for Automated Transformation of Code Repositories into Model Context Protocol Services

The proliferation of Large Language Models (LLMs) has created a significant integration challenge in the AI agent ecosystem, often called the "N times M problem," where N models require custom integrations for M tools. This fragmentation stifles innovation and creates substantial development overhead. While the Model Context Protocol (MCP) has emerged as a standard to resolve this, its adoption is hindered by the manual effort required to convert the vast universe of existing software into MCP-compliant services. This is especially true for the millions of open-source repositories on GitHub, the world's largest collection of functional code. This paper introduces Code2MCP, a highly automated, agentic framework designed to transform any GitHub repository into a functional MCP service with minimal human intervention. Our system employs a multi-stage workflow that automates the entire process, from code analysis and environment configuration to service generation and deployment. A key innovation of our framework is an LLM-driven, closed-loop "Run--Review--Fix" cycle, which enables the system to autonomously debug and repair the code it generates. Code2MCP produces not only deployable services but also comprehensive technical documentation, acting as a catalyst to accelerate the MCP ecosystem by systematically unlocking the world's largest open-source code repository and automating the critical last mile of tool integration. The code is open-sourced at https://github.com/DEFENSE-SEU/MCP-Github-Agent.

  • 6 authors
·
Sep 7, 2025 1

The Fellowship of the LLMs: Multi-Agent Workflows for Synthetic Preference Optimization Dataset Generation

This paper presents synthetic Preference Optimization (PO) datasets generated using multi-agent workflows and evaluates the effectiveness and potential of these workflows in the dataset generation process. PO dataset generation requires two modules: (1) response evaluation, and (2) response generation. In the response evaluation module, the responses from Large Language Models (LLMs) are evaluated and ranked - a task typically carried out by human annotators that we automate using LLMs. We assess the response evaluation module in a 2 step process. In step 1, we assess LLMs as evaluators using three distinct prompting strategies. In step 2, we apply the winning prompting strategy to compare the performance of LLM-as-a-Judge, LLMs-as-a-Jury, and LLM Debate. In each step, we use inter-rater agreement using Cohen's Kappa between human annotators and LLMs. For the response generation module, we compare different configurations for the LLM Feedback Loop using the identified LLM evaluator configuration. We use the win rate (the fraction of times a generation framework is selected as the best by an LLM evaluator) to determine the best multi-agent configuration for generation. After identifying the best configurations for both modules, we use models from the GPT, Gemma, and Llama families to generate our PO datasets using the above pipeline. We generate two types of PO datasets, one to improve the generation capabilities of individual LLM and the other to improve the multi-agent workflow. Our evaluation shows that GPT-4o-as-a-Judge is more consistent across datasets when the candidate responses do not include responses from the GPT family. Additionally, we find that the LLM Feedback Loop, with Llama as the generator and Gemma as the reviewer, achieves a notable 71.8% and 73.8% win rate over single-agent Llama and Gemma, respectively.

  • 5 authors
·
Aug 16, 2024

APT: Architectural Planning and Text-to-Blueprint Construction Using Large Language Models for Open-World Agents

We present APT, an advanced Large Language Model (LLM)-driven framework that enables autonomous agents to construct complex and creative structures within the Minecraft environment. Unlike previous approaches that primarily concentrate on skill-based open-world tasks or rely on image-based diffusion models for generating voxel-based structures, our method leverages the intrinsic spatial reasoning capabilities of LLMs. By employing chain-of-thought decomposition along with multimodal inputs, the framework generates detailed architectural layouts and blueprints that the agent can execute under zero-shot or few-shot learning scenarios. Our agent incorporates both memory and reflection modules to facilitate lifelong learning, adaptive refinement, and error correction throughout the building process. To rigorously evaluate the agent's performance in this emerging research area, we introduce a comprehensive benchmark consisting of diverse construction tasks designed to test creativity, spatial reasoning, adherence to in-game rules, and the effective integration of multimodal instructions. Experimental results using various GPT-based LLM backends and agent configurations demonstrate the agent's capacity to accurately interpret extensive instructions involving numerous items, their positions, and orientations. The agent successfully produces complex structures complete with internal functionalities such as Redstone-powered systems. A/B testing indicates that the inclusion of a memory module leads to a significant increase in performance, emphasizing its role in enabling continuous learning and the reuse of accumulated experience. Additionally, the agent's unexpected emergence of scaffolding behavior highlights the potential of future LLM-driven agents to utilize subroutine planning and leverage the emergence ability of LLMs to autonomously develop human-like problem-solving techniques.

  • 2 authors
·
Nov 26, 2024

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.

  • 5 authors
·
Jun 10, 2025

A Comprehensive Survey of Self-Evolving AI Agents: A New Paradigm Bridging Foundation Models and Lifelong Agentic Systems

Recent advances in large language models have sparked growing interest in AI agents capable of solving complex, real-world tasks. However, most existing agent systems rely on manually crafted configurations that remain static after deployment, limiting their ability to adapt to dynamic and evolving environments. To this end, recent research has explored agent evolution techniques that aim to automatically enhance agent systems based on interaction data and environmental feedback. This emerging direction lays the foundation for self-evolving AI agents, which bridge the static capabilities of foundation models with the continuous adaptability required by lifelong agentic systems. In this survey, we provide a comprehensive review of existing techniques for self-evolving agentic systems. Specifically, we first introduce a unified conceptual framework that abstracts the feedback loop underlying the design of self-evolving agentic systems. The framework highlights four key components: System Inputs, Agent System, Environment, and Optimisers, serving as a foundation for understanding and comparing different strategies. Based on this framework, we systematically review a wide range of self-evolving techniques that target different components of the agent system. We also investigate domain-specific evolution strategies developed for specialised fields such as biomedicine, programming, and finance, where optimisation objectives are tightly coupled with domain constraints. In addition, we provide a dedicated discussion on the evaluation, safety, and ethical considerations for self-evolving agentic systems, which are critical to ensuring their effectiveness and reliability. This survey aims to provide researchers and practitioners with a systematic understanding of self-evolving AI agents, laying the foundation for the development of more adaptive, autonomous, and lifelong agentic systems.

  • 15 authors
·
Aug 10, 2025 2

Nex-N1: Agentic Models Trained via a Unified Ecosystem for Large-Scale Environment Construction

The evolution of Large Language Models (LLMs) from passive responders to autonomous agents necessitates a fundamental shift in learning paradigms -- from static imitation to incentive-driven decision making. However, this transition is significantly impeded by the lack of scalable infrastructure capable of constructing high-quality interaction signals for effective policy learning. To address this, we introduce a comprehensive method designed to systematically scale the diversity and complexity of interactive environments. Our method realizes this scaling by addressing three orthogonal dimensions: (1) Complexity: NexAU, a flexible agent framework that supports building complex agent hierarchies via simple configurations; (2) Diversity: NexA4A automatically generates diverse agent hierarchies from natural language to cover infinite domains; and (3) Fidelity: NexGAP bridges the simulation-reality gap by integrating dynamic real-world environment for grounded trajectories synthesis. We train Nex-N1 upon the diverse and complex interactive environments established by our infrastructure. Empirical results on benchmarks such as SWE-bench and tau2 demonstrate that Nex-N1 consistently outperforms SOTA open-source models and achieves competitive performance against frontier proprietary models on complex agentic tasks. We open-source the Nex ecosystem and model weights to facilitate further research.

nex-agi Nex AGI
·
Dec 4, 2025 3

TRiSM for Agentic AI: A Review of Trust, Risk, and Security Management in LLM-based Agentic Multi-Agent Systems

Agentic AI systems, built on large language models (LLMs) and deployed in multi-agent configurations, are redefining intelligent autonomy, collaboration and decision-making across enterprise and societal domains. This review presents a structured analysis of Trust, Risk, and Security Management (TRiSM) in the context of LLM-based agentic multi-agent systems (AMAS). We begin by examining the conceptual foundations of agentic AI, its architectural differences from traditional AI agents, and the emerging system designs that enable scalable, tool-using autonomy. The TRiSM in the agentic AI framework is then detailed through four pillars governance, explainability, ModelOps, and privacy/security each contextualized for agentic LLMs. We identify unique threat vectors and introduce a comprehensive risk taxonomy for the agentic AI applications, supported by case studies illustrating real-world vulnerabilities. Furthermore, the paper also surveys trust-building mechanisms, transparency and oversight techniques, and state-of-the-art explainability strategies in distributed LLM agent systems. Additionally, metrics for evaluating trust, interpretability, and human-centered performance are reviewed alongside open benchmarking challenges. Security and privacy are addressed through encryption, adversarial defense, and compliance with evolving AI regulations. The paper concludes with a roadmap for responsible agentic AI, proposing research directions to align emerging multi-agent systems with robust TRiSM principles for safe, accountable, and transparent deployment.

  • 4 authors
·
Jun 4, 2025 2

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.

  • 5 authors
·
Dec 29, 2023

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.

  • 5 authors
·
Sep 14, 2024 2

Chain-of-Agents: End-to-End Agent Foundation Models via Multi-Agent Distillation and Agentic RL

Recent advances in large language models (LLMs) and multi-agent systems have demonstrated remarkable capabilities in complex problem-solving tasks such as deep research, vibe coding, and mathematical reasoning. However, most existing multi-agent systems are built upon manual prompt/workflow engineering with sophisticated agent frameworks, making them computationally inefficient, less capable, and can not benefit from data-centric learning. In this work, we introduce Chain-of-Agents (CoA), a novel paradigm of LLM reasoning that enables native end-to-end complex problem-solving in the same way as a multi-agent system (i.e., multi-turn problem solving with multiple tools and multiple agents) within one model. In chain-of-agents problem-solving, the model dynamically activates different tool agents and role-playing agents to simulate multi-agent collaboration in an end-to-end fashion. To elicit end-to-end chain-of-agents problem-solving abilities in LLMs, we introduce a multi-agent distillation framework to distill state-of-the-art multi-agent systems into chain-of-agents trajectories for agentic supervised fine-tuning. We then use agentic reinforcement learning on verifiable agentic tasks to further improve the models' capabilities on chain-of-agents problem solving. We call the resulting models Agent Foundation Models (AFMs). Our empirical studies demonstrate that AFM establishes new state-of-the-art performance across diverse benchmarks in both web agent and code agent settings. We make the entire research, including the model weights, code for training and evaluation, and the training data, fully open-sourced, which offers a solid starting point for future research on agent models and agentic RL.

  • 30 authors
·
Aug 6, 2025 8

ReCreate: Reasoning and Creating Domain Agents Driven by Experience

Large Language Model agents are reshaping the industrial landscape. However, most practical agents remain human-designed because tasks differ widely, making them labor-intensive to build. This situation poses a central question: can we automatically create and adapt domain agents in the wild? While several recent approaches have sought to automate agent creation, they typically treat agent generation as a black-box procedure and rely solely on final performance metrics to guide the process. Such strategies overlook critical evidence explaining why an agent succeeds or fails, and often require high computational costs. To address these limitations, we propose ReCreate, an experience-driven framework for the automatic creation of domain agents. ReCreate systematically leverages agent interaction histories, which provide rich concrete signals on both the causes of success or failure and the avenues for improvement. Specifically, we introduce an agent-as-optimizer paradigm that effectively learns from experience via three key components: (i) an experience storage and retrieval mechanism for on-demand inspection; (ii) a reasoning-creating synergy pipeline that maps execution experience into scaffold edits; and (iii) hierarchical updates that abstract instance-level details into reusable domain patterns. In experiments across diverse domains, ReCreate consistently outperforms human-designed agents and existing automated agent generation methods, even when starting from minimal seed scaffolds.

  • 9 authors
·
Jan 16

PhysicsAgentABM: Physics-Guided Generative Agent-Based Modeling

Large language model (LLM)-based multi-agent systems enable expressive agent reasoning but are expensive to scale and poorly calibrated for timestep-aligned state-transition simulation, while classical agent-based models (ABMs) offer interpretability but struggle to integrate rich individual-level signals and non-stationary behaviors. We propose PhysicsAgentABM, which shifts inference to behaviorally coherent agent clusters: state-specialized symbolic agents encode mechanistic transition priors, a multimodal neural transition model captures temporal and interaction dynamics, and uncertainty-aware epistemic fusion yields calibrated cluster-level transition distributions. Individual agents then stochastically realize transitions under local constraints, decoupling population inference from entity-level variability. We further introduce ANCHOR, an LLM agent-driven clustering strategy based on cross-contextual behavioral responses and a novel contrastive loss, reducing LLM calls by up to 6-8 times. Experiments across public health, finance, and social sciences show consistent gains in event-time accuracy and calibration over mechanistic, neural, and LLM baselines. By re-architecting generative ABM around population-level inference with uncertainty-aware neuro-symbolic fusion, PhysicsAgentABM establishes a new paradigm for scalable and calibrated simulation with LLMs.

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.

  • 8 authors
·
Jun 6, 2025

MAS-ZERO: Designing Multi-Agent Systems with Zero Supervision

Multi-agent systems (MAS) leveraging the impressive capabilities of Large Language Models (LLMs) hold significant potential for tackling complex tasks. However, most current MAS depend on manually designed agent roles and communication protocols. These manual designs often fail to align with the underlying LLMs' strengths and struggle to adapt to novel tasks. Recent automatic MAS approaches attempt to mitigate these limitations but typically necessitate a validation set for tuning and yield static MAS designs lacking adaptability during inference. We introduce MAS-ZERO, the first self-evolved, inference-time framework for automatic MAS design. MAS-ZERO employs meta-level design to iteratively generate, evaluate, and refine MAS configurations tailored to each problem instance, without requiring a validation set. Critically, it enables dynamic agent composition and problem decomposition through meta-feedback on solvability and completeness. Experiments across math, graduate-level QA, and software engineering benchmarks, using both closed-source and open-source LLM backbones of varying sizes, demonstrate that MAS-ZERO outperforms both manual and automatic MAS baselines, achieving a 7.44% average accuracy improvement over the next strongest baseline while maintaining cost-efficiency. These findings underscore the promise of meta-level self-evolved design for creating effective and adaptive MAS.

  • 6 authors
·
May 20, 2025

Reproducibility Study of "Cooperate or Collapse: Emergence of Sustainable Cooperation in a Society of LLM Agents"

This study evaluates and extends the findings made by Piatti et al., who introduced GovSim, a simulation framework designed to assess the cooperative decision-making capabilities of large language models (LLMs) in resource-sharing scenarios. By replicating key experiments, we validate claims regarding the performance of large models, such as GPT-4-turbo, compared to smaller models. The impact of the universalization principle is also examined, with results showing that large models can achieve sustainable cooperation, with or without the principle, while smaller models fail without it. In addition, we provide multiple extensions to explore the applicability of the framework to new settings. We evaluate additional models, such as DeepSeek-V3 and GPT-4o-mini, to test whether cooperative behavior generalizes across different architectures and model sizes. Furthermore, we introduce new settings: we create a heterogeneous multi-agent environment, study a scenario using Japanese instructions, and explore an "inverse environment" where agents must cooperate to mitigate harmful resource distributions. Our results confirm that the benchmark can be applied to new models, scenarios, and languages, offering valuable insights into the adaptability of LLMs in complex cooperative tasks. Moreover, the experiment involving heterogeneous multi-agent systems demonstrates that high-performing models can influence lower-performing ones to adopt similar behaviors. This finding has significant implications for other agent-based applications, potentially enabling more efficient use of computational resources and contributing to the development of more effective cooperative AI systems.

  • 4 authors
·
May 14, 2025

Why do AI agents communicate in human language?

Large Language Models (LLMs) have become foundational to modern AI agent systems, enabling autonomous agents to reason and plan. In most existing systems, inter-agent communication relies primarily on natural language. While this design supports interpretability and human oversight, we argue that it introduces fundamental limitations in agent-to-agent coordination. The semantic space of natural language is structurally misaligned with the high-dimensional vector spaces in which LLMs operate, resulting in information loss and behavioral drift. Beyond surface-level inefficiencies, we highlight a deeper architectural limitation: current LLMs were not trained with the objective of supporting agentic behavior. As such, they lack mechanisms for modeling role continuity, task boundaries, and multi-agent dependencies. The standard next-token prediction paradigm fails to support the structural alignment required for robust, scalable agent coordination. Based on this, we argue that two core questions deserve careful examination: first, given that AI agents fundamentally operate in high-dimensional vector spaces, should they rely on a language system originally designed for human cognition as their communication medium? Second, should we consider developing a new model construction paradigm that builds models from the ground up to natively support structured communication, shared intentionality, and task alignment in multi-role, multi-agent environments? This paper calls for a reconsideration not only of how agents should communicate, but also of what it fundamentally means to train a model that natively supports multi-agent coordination and communication.

  • 4 authors
·
Jun 3, 2025

Evolving Excellence: Automated Optimization of LLM-based Agents

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations; poorly tuned prompts, tool descriptions, and parameters that typically require weeks of manual refinement. Existing optimization methods either are too complex for general use or treat components in isolation, missing critical interdependencies. We present ARTEMIS, a no-code evolutionary optimization platform that jointly optimizes agent configurations through semantically-aware genetic operators. Given only a benchmark script and natural language goals, ARTEMIS automatically discovers configurable components, extracts performance signals from execution logs, and evolves configurations without requiring architectural modifications. We evaluate ARTEMIS on four representative agent systems: the ALE Agent for competitive programming on AtCoder Heuristic Contest, achieving a 13.6% improvement in acceptance rate; the Mini-SWE Agent for code optimization on SWE-Perf, with a statistically significant 10.1\% performance gain; and the CrewAI Agent for cost and mathematical reasoning on Math Odyssey, achieving a statistically significant 36.9% reduction in the number of tokens required for evaluation. We also evaluate the MathTales-Teacher Agent powered by a smaller open-source model (Qwen2.5-7B) on GSM8K primary-level mathematics problems, achieving a 22\% accuracy improvement and demonstrating that ARTEMIS can optimize agents based on both commercial and local models.

  • 21 authors
·
Dec 9, 2025

Automated Composition of Agents: A Knapsack Approach for Agentic Component Selection

Designing effective agentic systems requires the seamless composition and integration of agents, tools, and models within dynamic and uncertain environments. Most existing methods rely on static, semantic retrieval approaches for tool or agent discovery. However, effective reuse and composition of existing components remain challenging due to incomplete capability descriptions and the limitations of retrieval methods. Component selection suffers because the decisions are not based on capability, cost, and real-time utility. To address these challenges, we introduce a structured, automated framework for agentic system composition that is inspired by the knapsack problem. Our framework enables a composer agent to systematically identify, select, and assemble an optimal set of agentic components by jointly considering performance, budget constraints, and compatibility. By dynamically testing candidate components and modeling their utility in real-time, our approach streamlines the assembly of agentic systems and facilitates scalable reuse of resources. Empirical evaluation with Claude 3.5 Sonnet across five benchmarking datasets shows that our online-knapsack-based composer consistently lies on the Pareto frontier, achieving higher success rates at significantly lower component costs compared to our baselines. In the single-agent setup, the online knapsack composer shows a success rate improvement of up to 31.6% in comparison to the retrieval baselines. In multi-agent systems, the online knapsack composer increases success rate from 37% to 87% when agents are selected from an agent inventory of 100+ agents. The substantial performance gap confirms the robust adaptability of our method across diverse domains and budget constraints.

  • 8 authors
·
Oct 18, 2025 2

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.

  • 20 authors
·
Jun 6, 2024 1

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}.

  • 12 authors
·
Jun 22, 2025 1

From Individual to Society: A Survey on Social Simulation Driven by Large Language Model-based Agents

Traditional sociological research often relies on human participation, which, though effective, is expensive, challenging to scale, and with ethical concerns. Recent advancements in large language models (LLMs) highlight their potential to simulate human behavior, enabling the replication of individual responses and facilitating studies on many interdisciplinary studies. In this paper, we conduct a comprehensive survey of this field, illustrating the recent progress in simulation driven by LLM-empowered agents. We categorize the simulations into three types: (1) Individual Simulation, which mimics specific individuals or demographic groups; (2) Scenario Simulation, where multiple agents collaborate to achieve goals within specific contexts; and (3) Society Simulation, which models interactions within agent societies to reflect the complexity and variety of real-world dynamics. These simulations follow a progression, ranging from detailed individual modeling to large-scale societal phenomena. We provide a detailed discussion of each simulation type, including the architecture or key components of the simulation, the classification of objectives or scenarios and the evaluation method. Afterward, we summarize commonly used datasets and benchmarks. Finally, we discuss the trends across these three types of simulation. A repository for the related sources is at {https://github.com/FudanDISC/SocialAgent}.

  • 11 authors
·
Dec 4, 2024

Very Large-Scale Multi-Agent Simulation in AgentScope

Recent advances in large language models (LLMs) have opened new avenues for applying multi-agent systems in very large-scale simulations. However, there remain several challenges when conducting multi-agent simulations with existing platforms, such as limited scalability and low efficiency, unsatisfied agent diversity, and effort-intensive management processes. To address these challenges, we develop several new features and components for AgentScope, a user-friendly multi-agent platform, enhancing its convenience and flexibility for supporting very large-scale multi-agent simulations. Specifically, we propose an actor-based distributed mechanism as the underlying technological infrastructure towards great scalability and high efficiency, and provide flexible environment support for simulating various real-world scenarios, which enables parallel execution of multiple agents, centralized workflow orchestration, and both inter-agent and agent-environment interactions among agents. Moreover, we integrate an easy-to-use configurable tool and an automatic background generation pipeline in AgentScope, simplifying the process of creating agents with diverse yet detailed background settings. Last but not least, we provide a web-based interface for conveniently monitoring and managing a large number of agents that might deploy across multiple devices. We conduct a comprehensive simulation to demonstrate the effectiveness of the proposed enhancements in AgentScope, and provide detailed observations and discussions to highlight the great potential of applying multi-agent systems in large-scale simulations. The source code is released on GitHub at https://github.com/modelscope/agentscope to inspire further research and development in large-scale multi-agent simulations.

  • 8 authors
·
Jul 25, 2024 2

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.

  • 7 authors
·
Mar 16, 2025

Phase Transition for Budgeted Multi-Agent Synergy

Multi-agent systems can improve reliability, yet under a fixed inference budget they often help, saturate, or even collapse. We develop a minimal and calibratable theory that predicts these regimes from three binding constraints of modern agent stacks: finite context windows, lossy inter-agent communication, and shared failures among similar agents. Each leaf agent is summarized by a compute-performance scaling exponent β; communication is captured by a message-length fidelity curve γ(m); dependence is captured by an effective shared-error correlation ρ; and a context window W imposes hard fan-in limits that make hierarchy necessary. For binary success/failure tasks with majority aggregation, we prove a sharp phase transition for deep b-ary trees with correlated inputs and lossy communication: a single scalar α_ρ (combining γ(m), ρ, and fan-in b) determines whether weak signal is amplified to a nontrivial fixed point or washed out to chance. In the amplifying regime, we derive an organization exponent s and show that budgeted synergy, i.e., outperforming the best single agent under the same total budget, occurs exactly when s>β, yielding closed-form compute allocation rules and explicit budget thresholds. We further characterize saturation via a mixing depth and provide a conservative clipped predictor that remains accurate across growth and saturation. A continuous-performance warm-up gives closed-form risks for star, chain, and tree organizations, making correlation- and communication-induced floors explicit and exposing the core design trade-offs in a smooth setting. Finally, we validate the predicted phase boundaries in controlled synthetic simulations and show how the same mechanisms explain the dominant bottlenecks reported in recent large-scale matched-budget studies of LLM agent-system scaling.

  • 3 authors
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Jan 24

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.

  • 6 authors
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May 28, 2025 1

LLM Economist: Large Population Models and Mechanism Design in Multi-Agent Generative Simulacra

We present the LLM Economist, a novel framework that uses agent-based modeling to design and assess economic policies in strategic environments with hierarchical decision-making. At the lower level, bounded rational worker agents -- instantiated as persona-conditioned prompts sampled from U.S. Census-calibrated income and demographic statistics -- choose labor supply to maximize text-based utility functions learned in-context. At the upper level, a planner agent employs in-context reinforcement learning to propose piecewise-linear marginal tax schedules anchored to the current U.S. federal brackets. This construction endows economic simulacra with three capabilities requisite for credible fiscal experimentation: (i) optimization of heterogeneous utilities, (ii) principled generation of large, demographically realistic agent populations, and (iii) mechanism design -- the ultimate nudging problem -- expressed entirely in natural language. Experiments with populations of up to one hundred interacting agents show that the planner converges near Stackelberg equilibria that improve aggregate social welfare relative to Saez solutions, while a periodic, persona-level voting procedure furthers these gains under decentralized governance. These results demonstrate that large language model-based agents can jointly model, simulate, and govern complex economic systems, providing a tractable test bed for policy evaluation at the societal scale to help build better civilizations.

  • 6 authors
·
Jul 21, 2025 1

Polymorphic Combinatorial Frameworks (PCF): Guiding the Design of Mathematically-Grounded, Adaptive AI Agents

The Polymorphic Combinatorial Framework (PCF) leverages Large Language Models (LLMs) and mathematical frameworks to guide the meta-prompt enabled design of solution spaces and adaptive AI agents for complex, dynamic environments. Unlike static agent architectures, PCF enables real-time parameter reconfiguration through mathematically-grounded combinatorial spaces, allowing agents to adapt their core behavioral traits dynamically. Grounded in combinatorial logic, topos theory, and rough fuzzy set theory, PCF defines a multidimensional SPARK parameter space (Skills, Personalities, Approaches, Resources, Knowledge) to capture agent behaviors. This paper demonstrates how LLMs can parameterize complex spaces and estimate likely parameter values/variabilities. Using PCF, we parameterized mock caf\'e domains (five levels of complexity), estimated variables/variabilities, and conducted over 1.25 million Monte Carlo simulations. The results revealed trends in agent adaptability and performance across the five complexity tiers, with diminishing returns at higher complexity levels highlighting thresholds for scalable designs. PCF enables the generation of optimized agent configurations for specific scenarios while maintaining logical consistency. This framework supports scalable, dynamic, explainable, and ethical AI applications in domains like customer service, healthcare, robotics, and collaborative systems, paving the way for adaptable and cooperative next-generation polymorphic agents.

  • 3 authors
·
Aug 3, 2025

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

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

  • 3 authors
·
Nov 4, 2025

Carbon and Silicon, Coexist or Compete? A Survey on Human-AI Interactions in Agent-based Modeling and Simulation

Recent interest in human-AI interactions in agent-based modeling and simulation (ABMS) has grown rapidly due to the widespread utilization of large language models (LLMs). ABMS is an intelligent approach that simulates autonomous agents' behaviors within a defined environment to research emergent phenomena. Integrating LLMs into ABMS enables natural language interaction between humans and models. Meanwhile, it introduces new challenges that rely on human interaction to address. Human involvement can assist ABMS in adapting to flexible and complex research demands. However, systematic reviews of interactions that examine how humans and AI interact in ABMS are lacking. In this paper, we investigate existing works and propose a novel taxonomy to categorize the interactions derived from them. Specifically, human users refer to researchers who utilize ABMS tools to conduct their studies in our survey. We decompose interactions into five dimensions: the goals that users want to achieve (Why), the phases that users are involved (When), the components of the system (What), the roles of users (Who), and the means of interactions (How). Our analysis summarizes the findings that reveal existing interaction patterns. They provide researchers who develop interactions with comprehensive guidance on how humans and AI interact. We further discuss the unexplored interactions and suggest future research directions.

  • 5 authors
·
Feb 25, 2025

Adaptability in Multi-Agent Reinforcement Learning: A Framework and Unified Review

Multi-Agent Reinforcement Learning (MARL) has shown clear effectiveness in coordinating multiple agents across simulated benchmarks and constrained scenarios. However, its deployment in real-world multi-agent systems (MAS) remains limited, primarily due to the complex and dynamic nature of such environments. These challenges arise from multiple interacting sources of variability, including fluctuating agent populations, evolving task goals, and inconsistent execution conditions. Together, these factors demand that MARL algorithms remain effective under continuously changing system configurations and operational demands. To better capture and assess this capacity for adjustment, we introduce the concept of adaptability as a unified and practically grounded lens through which to evaluate the reliability of MARL algorithms under shifting conditions, broadly referring to any changes in the environment dynamics that may occur during learning or execution. Centred on the notion of adaptability, we propose a structured framework comprising three key dimensions: learning adaptability, policy adaptability, and scenario-driven adaptability. By adopting this adaptability perspective, we aim to support more principled assessments of MARL performance beyond narrowly defined benchmarks. Ultimately, this survey contributes to the development of algorithms that are better suited for deployment in dynamic, real-world multi-agent systems.

  • 6 authors
·
Jul 14, 2025

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.

  • 3 authors
·
Aug 15, 2024 3

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.

  • 10 authors
·
Jan 3, 2025

Cultural Evolution of Cooperation among LLM Agents

Large language models (LLMs) provide a compelling foundation for building generally-capable AI agents. These agents may soon be deployed at scale in the real world, representing the interests of individual humans (e.g., AI assistants) or groups of humans (e.g., AI-accelerated corporations). At present, relatively little is known about the dynamics of multiple LLM agents interacting over many generations of iterative deployment. In this paper, we examine whether a "society" of LLM agents can learn mutually beneficial social norms in the face of incentives to defect, a distinctive feature of human sociality that is arguably crucial to the success of civilization. In particular, we study the evolution of indirect reciprocity across generations of LLM agents playing a classic iterated Donor Game in which agents can observe the recent behavior of their peers. We find that the evolution of cooperation differs markedly across base models, with societies of Claude 3.5 Sonnet agents achieving significantly higher average scores than Gemini 1.5 Flash, which, in turn, outperforms GPT-4o. Further, Claude 3.5 Sonnet can make use of an additional mechanism for costly punishment to achieve yet higher scores, while Gemini 1.5 Flash and GPT-4o fail to do so. For each model class, we also observe variation in emergent behavior across random seeds, suggesting an understudied sensitive dependence on initial conditions. We suggest that our evaluation regime could inspire an inexpensive and informative new class of LLM benchmarks, focussed on the implications of LLM agent deployment for the cooperative infrastructure of society.

  • 2 authors
·
Dec 13, 2024

Agentic Web: Weaving the Next Web with AI Agents

The emergence of AI agents powered by large language models (LLMs) marks a pivotal shift toward the Agentic Web, a new phase of the internet defined by autonomous, goal-driven interactions. In this paradigm, agents interact directly with one another to plan, coordinate, and execute complex tasks on behalf of users. This transition from human-driven to machine-to-machine interaction allows intent to be delegated, relieving users from routine digital operations and enabling a more interactive, automated web experience. In this paper, we present a structured framework for understanding and building the Agentic Web. We trace its evolution from the PC and Mobile Web eras and identify the core technological foundations that support this shift. Central to our framework is a conceptual model consisting of three key dimensions: intelligence, interaction, and economics. These dimensions collectively enable the capabilities of AI agents, such as retrieval, recommendation, planning, and collaboration. We analyze the architectural and infrastructural challenges involved in creating scalable agentic systems, including communication protocols, orchestration strategies, and emerging paradigms such as the Agent Attention Economy. We conclude by discussing the potential applications, societal risks, and governance issues posed by agentic systems, and outline research directions for developing open, secure, and intelligent ecosystems shaped by both human intent and autonomous agent behavior. A continuously updated collection of relevant studies for agentic web is available at: https://github.com/SafeRL-Lab/agentic-web.

  • 18 authors
·
Jul 28, 2025

Large Population Models

Many of society's most pressing challenges, from pandemic response to supply chain disruptions to climate adaptation, emerge from the collective behavior of millions of autonomous agents making decisions over time. Large Population Models (LPMs) offer an approach to understand these complex systems by simulating entire populations with realistic behaviors and interactions at unprecedented scale. LPMs extend traditional modeling approaches through three key innovations: computational methods that efficiently simulate millions of agents simultaneously, mathematical frameworks that learn from diverse real-world data streams, and privacy-preserving communication protocols that bridge virtual and physical environments. This allows researchers to observe how agent behavior aggregates into system-level outcomes and test interventions before real-world implementation. While current AI advances primarily focus on creating "digital humans" with sophisticated individual capabilities, LPMs develop "digital societies" where the richness of interactions reveals emergent phenomena. By bridging individual agent behavior and population-scale dynamics, LPMs offer a complementary path in AI research illuminating collective intelligence and providing testing grounds for policies and social innovations before real-world deployment. We discuss the technical foundations and some open problems here. LPMs are implemented by the AgentTorch framework (github.com/AgentTorch/AgentTorch)

  • 1 authors
·
Jul 14, 2025

TinyTroupe: An LLM-powered Multiagent Persona Simulation Toolkit

Recent advances in Large Language Models (LLM) have led to a new class of autonomous agents, renewing and expanding interest in the area. LLM-powered Multiagent Systems (MAS) have thus emerged, both for assistive and simulation purposes, yet tools for realistic human behavior simulation -- with its distinctive challenges and opportunities -- remain underdeveloped. Existing MAS libraries and tools lack fine-grained persona specifications, population sampling facilities, experimentation support, and integrated validation, among other key capabilities, limiting their utility for behavioral studies, social simulation, and related applications. To address these deficiencies, in this work we introduce TinyTroupe, a simulation toolkit enabling detailed persona definitions (e.g., nationality, age, occupation, personality, beliefs, behaviors) and programmatic control via numerous LLM-driven mechanisms. This allows for the concise formulation of behavioral problems of practical interest, either at the individual or group level, and provides effective means for their solution. TinyTroupe's components are presented using representative working examples, such as brainstorming and market research sessions, thereby simultaneously clarifying their purpose and demonstrating their usefulness. Quantitative and qualitative evaluations of selected aspects are also provided, highlighting possibilities, limitations, and trade-offs. The approach, though realized as a specific Python implementation, is meant as a novel conceptual contribution, which can be partially or fully incorporated in other contexts. The library is available as open source at https://github.com/microsoft/tinytroupe.

  • 6 authors
·
Jul 13, 2025

Lita: Light Agent Uncovers the Agentic Coding Capabilities of LLMs

Large language models (LLMs) are increasingly being applied to programming tasks, ranging from single-turn code completion to autonomous agents. Current code agent designs frequently depend on complex, hand-crafted workflows and tool sets. However, this reliance on elaborate scaffolding presents several challenges: agent performance becomes overly dependent on prompt tuning and custom design choices, heavy human intervention obscures a model's true underlying capabilities, and intricate pipelines are costly to build and maintain. Furthermore, optimizing complex task prompts increases the risk of data leakage. Currently, when introducing new models, LLM providers like OpenAI and Anthropic often publish benchmark scores to demonstrate their models' coding proficiency, but keep their proprietary evaluation frameworks confidential. To address these limitations, we introduce Lita (Lite Agent), which operationalizes liteness, a principle of minimizing manual design while retaining the essential elements of a fully autonomous agent. Lita enables a more faithful and unified evaluation without elaborate scaffolding. Experiments on the Aider Polyglot and SWE-Bench with frontier models demonstrate that Lita achieves competitive or superior performance compared to workflow-based and agentic baselines. Crucially, Lita also consumes fewer tokens and requires significantly less design effort. Our results suggest that Lita is sufficient to reveal the underlying coding competence of modern LLMs. Finally, we propose the Agent Complexity Law: the performance gap between agents of varying complexity, from simple to sophisticated designs, will shrink as the core model improves, ultimately converging to a negligible difference.

  • 9 authors
·
Sep 30, 2025

AI Agent Behavioral Science

Recent advances in large language models (LLMs) have enabled the development of AI agents that exhibit increasingly human-like behaviors, including planning, adaptation, and social dynamics across diverse, interactive, and open-ended scenarios. These behaviors are not solely the product of the internal architectures of the underlying models, but emerge from their integration into agentic systems operating within specific contexts, where environmental factors, social cues, and interaction feedbacks shape behavior over time. This evolution necessitates a new scientific perspective: AI Agent Behavioral Science. Rather than focusing only on internal mechanisms, this perspective emphasizes the systematic observation of behavior, design of interventions to test hypotheses, and theory-guided interpretation of how AI agents act, adapt, and interact over time. We systematize a growing body of research across individual agent, multi-agent, and human-agent interaction settings, and further demonstrate how this perspective informs responsible AI by treating fairness, safety, interpretability, accountability, and privacy as behavioral properties. By unifying recent findings and laying out future directions, we position AI Agent Behavioral Science as a necessary complement to traditional model-centric approaches, providing essential tools for understanding, evaluating, and governing the real-world behavior of increasingly autonomous AI systems.

  • 16 authors
·
Jun 4, 2025 2

AutoEnv: Automated Environments for Measuring Cross-Environment Agent Learning

Humans naturally adapt to diverse environments by learning underlying rules across worlds with different dynamics, observations, and reward structures. In contrast, existing agents typically demonstrate improvements via self-evolving within a single domain, implicitly assuming a fixed environment distribution. Cross-environment learning has remained largely unmeasured: there is no standard collection of controllable, heterogeneous environments, nor a unified way to represent how agents learn. We address these gaps in two steps. First, we propose AutoEnv, an automated framework that treats environments as factorizable distributions over transitions, observations, and rewards, enabling low-cost (4.12 USD on average) generation of heterogeneous worlds. Using AutoEnv, we construct AutoEnv-36, a dataset of 36 environments with 358 validated levels, on which seven language models achieve 12-49% normalized reward, demonstrating the challenge of AutoEnv-36. Second, we formalize agent learning as a component-centric process driven by three stages of Selection, Optimization, and Evaluation applied to an improvable agent component. Using this formulation, we design eight learning methods and evaluate them on AutoEnv-36. Empirically, the gain of any single learning method quickly decrease as the number of environments increases, revealing that fixed learning methods do not scale across heterogeneous environments. Environment-adaptive selection of learning methods substantially improves performance but exhibits diminishing returns as the method space expands. These results highlight both the necessity and the current limitations of agent learning for scalable cross-environment generalization, and position AutoEnv and AutoEnv-36 as a testbed for studying cross-environment agent learning. The code is avaiable at https://github.com/FoundationAgents/AutoEnv.

  • 15 authors
·
Nov 24, 2025 3

Towards a Science of Scaling Agent Systems

Agents, language model (LM)-based systems that are capable of reasoning, planning, and acting are becoming the dominant paradigm for real-world AI applications. Despite this widespread adoption, the principles that determine their performance remain underexplored, leaving practitioners to rely on heuristics rather than principled design choices. We address this gap by deriving quantitative scaling principles for agent systems. We evaluate this across four diverse benchmarks: Finance-Agent, BrowseComp-Plus, PlanCraft, and Workbench. Using five canonical architectures (Single, Independent, Centralized, Decentralized, Hybrid) instantiated across three LLM families, we perform a controlled evaluation spanning 180 configurations with standardized tools and token budgets. We derive a predictive model using empirical coordination metrics, including efficiency, overhead, error amplification, and redundancy, that achieves cross-validated R^2=0.513. We identify three dominant effects: (1) a tool-coordination trade-off: under fixed computational budgets, tool-heavy tasks suffer disproportionately from multi-agent overhead. (2) a capability saturation: coordination yields diminishing or negative returns (beta=-0.408, p<0.001) once single-agent baselines exceed ~45%. (3) topology-dependent error amplification: independent agents amplify errors 17.2x through unchecked propagation, while centralized coordination contains this to 4.4x. Centralized coordination improves performance by 80.9% on parallelizable tasks like financial reasoning, while decentralized coordination excels on dynamic web navigation (+9.2% vs. +0.2%). Yet for sequential reasoning tasks, all multi-agent variants degraded performance by 39-70%. The framework predicts the optimal coordination strategy for 87% of held-out configurations, providing a predictive principle of agentic scaling based on measurable task properties.

  • 19 authors
·
Dec 9, 2025 3

A Survey of Self-Evolving Agents: On Path to Artificial Super Intelligence

Large Language Models (LLMs) have demonstrated strong capabilities but remain fundamentally static, unable to adapt their internal parameters to novel tasks, evolving knowledge domains, or dynamic interaction contexts. As LLMs are increasingly deployed in open-ended, interactive environments, this static nature has become a critical bottleneck, necessitating agents that can adaptively reason, act, and evolve in real time. This paradigm shift -- from scaling static models to developing self-evolving agents -- has sparked growing interest in architectures and methods enabling continual learning and adaptation from data, interactions, and experiences. This survey provides the first systematic and comprehensive review of self-evolving agents, organized around three foundational dimensions -- what to evolve, when to evolve, and how to evolve. We examine evolutionary mechanisms across agent components (e.g., models, memory, tools, architecture), categorize adaptation methods by stages (e.g., intra-test-time, inter-test-time), and analyze the algorithmic and architectural designs that guide evolutionary adaptation (e.g., scalar rewards, textual feedback, single-agent and multi-agent systems). Additionally, we analyze evaluation metrics and benchmarks tailored for self-evolving agents, highlight applications in domains such as coding, education, and healthcare, and identify critical challenges and research directions in safety, scalability, and co-evolutionary dynamics. By providing a structured framework for understanding and designing self-evolving agents, this survey establishes a roadmap for advancing adaptive agentic systems in both research and real-world deployments, ultimately shedding lights to pave the way for the realization of Artificial Super Intelligence (ASI), where agents evolve autonomously, performing at or beyond human-level intelligence across a wide array of tasks.

  • 27 authors
·
Jul 28, 2025 4

BOAD: Discovering Hierarchical Software Engineering Agents via Bandit Optimization

Large language models (LLMs) have shown strong reasoning and coding capabilities, yet they struggle to generalize to real-world software engineering (SWE) problems that are long-horizon and out of distribution. Existing systems often rely on a single agent to handle the entire workflow-interpreting issues, navigating large codebases, and implementing fixes-within one reasoning chain. Such monolithic designs force the model to retain irrelevant context, leading to spurious correlations and poor generalization. Motivated by how human engineers decompose complex problems, we propose structuring SWE agents as orchestrators coordinating specialized sub-agents for sub-tasks such as localization, editing, and validation. The challenge lies in discovering effective hierarchies automatically: as the number of sub-agents grows, the search space becomes combinatorial, and it is difficult to attribute credit to individual sub-agents within a team. We address these challenges by formulating hierarchy discovery as a multi-armed bandit (MAB) problem, where each arm represents a candidate sub-agent and the reward measures its helpfulness when collaborating with others. This framework, termed Bandit Optimization for Agent Design (BOAD), enables efficient exploration of sub-agent designs under limited evaluation budgets. On SWE-bench-Verified, BOAD outperforms single-agent and manually designed multi-agent systems. On SWE-bench-Live, featuring more recent and out-of-distribution issues, our 36B system ranks second on the leaderboard at the time of evaluation, surpassing larger models such as GPT-4 and Claude. These results demonstrate that automatically discovered hierarchical multi-agent systems significantly improve generalization on challenging long-horizon SWE tasks. Code is available at https://github.com/iamxjy/BOAD-SWE-Agent.

  • 8 authors
·
Dec 29, 2025

Evaluating Language-Model Agents on Realistic Autonomous Tasks

In this report, we explore the ability of language model agents to acquire resources, create copies of themselves, and adapt to novel challenges they encounter in the wild. We refer to this cluster of capabilities as "autonomous replication and adaptation" or ARA. We believe that systems capable of ARA could have wide-reaching and hard-to-anticipate consequences, and that measuring and forecasting ARA may be useful for informing measures around security, monitoring, and alignment. Additionally, once a system is capable of ARA, placing bounds on a system's capabilities may become significantly more difficult. We construct four simple example agents that combine language models with tools that allow them to take actions in the world. We then evaluate these agents on 12 tasks relevant to ARA. We find that these language model agents can only complete the easiest tasks from this list, although they make some progress on the more challenging tasks. Unfortunately, these evaluations are not adequate to rule out the possibility that near-future agents will be capable of ARA. In particular, we do not think that these evaluations provide good assurance that the ``next generation'' of language models (e.g. 100x effective compute scaleup on existing models) will not yield agents capable of ARA, unless intermediate evaluations are performed during pretraining. Relatedly, we expect that fine-tuning of the existing models could produce substantially more competent agents, even if the fine-tuning is not directly targeted at ARA.

  • 13 authors
·
Dec 18, 2023

Magentic Marketplace: An Open-Source Environment for Studying Agentic Markets

As LLM agents advance, they are increasingly mediating economic decisions, ranging from product discovery to transactions, on behalf of users. Such applications promise benefits but also raise many questions about agent accountability and value for users. Addressing these questions requires understanding how agents behave in realistic market conditions. However, previous research has largely evaluated agents in constrained settings, such as single-task marketplaces (e.g., negotiation) or structured two-agent interactions. Real-world markets are fundamentally different: they require agents to handle diverse economic activities and coordinate within large, dynamic ecosystems where multiple agents with opaque behaviors may engage in open-ended dialogues. To bridge this gap, we investigate two-sided agentic marketplaces where Assistant agents represent consumers and Service agents represent competing businesses. To study these interactions safely, we develop Magentic-Marketplace-- a simulated environment where Assistants and Services can operate. This environment enables us to study key market dynamics: the utility agents achieve, behavioral biases, vulnerability to manipulation, and how search mechanisms shape market outcomes. Our experiments show that frontier models can approach optimal welfare-- but only under ideal search conditions. Performance degrades sharply with scale, and all models exhibit severe first-proposal bias, creating 10-30x advantages for response speed over quality. These findings reveal how behaviors emerge across market conditions, informing the design of fair and efficient agentic marketplaces.

MicrosoftResearch Microsoft Research
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Oct 27, 2025 2

Prioritizing Safeguarding Over Autonomy: Risks of LLM Agents for Science

Intelligent agents powered by large language models (LLMs) have demonstrated substantial promise in autonomously conducting experiments and facilitating scientific discoveries across various disciplines. While their capabilities are promising, they also introduce novel vulnerabilities that demand careful consideration for safety. However, there exists a notable gap in the literature, as there has been no comprehensive exploration of these vulnerabilities. This position paper fills this gap by conducting a thorough examination of vulnerabilities in LLM-based agents within scientific domains, shedding light on potential risks associated with their misuse and emphasizing the need for safety measures. We begin by providing a comprehensive overview of the potential risks inherent to scientific LLM agents, taking into account user intent, the specific scientific domain, and their potential impact on the external environment. Then, we delve into the origins of these vulnerabilities and provide a scoping review of the limited existing works. Based on our analysis, we propose a triadic framework involving human regulation, agent alignment, and an understanding of environmental feedback (agent regulation) to mitigate these identified risks. Furthermore, we highlight the limitations and challenges associated with safeguarding scientific agents and advocate for the development of improved models, robust benchmarks, and comprehensive regulations to address these issues effectively.

  • 13 authors
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Feb 6, 2024

Who's the MVP? A Game-Theoretic Evaluation Benchmark for Modular Attribution in LLM Agents

Large Language Model (LLM) agents frameworks often employ modular architectures, incorporating components such as planning, reasoning, action execution, and reflection to tackle complex tasks. However, quantifying the contribution of each module to overall system performance remains a significant challenge, impeding optimization and interpretability. To address this, we introduce CapaBench (Capability-level Assessment Benchmark), an evaluation framework grounded in cooperative game theory's Shapley Value, which systematically measures the marginal impact of individual modules and their interactions within an agent's architecture. By replacing default modules with test variants across all possible combinations, CapaBench provides a principle method for attributing performance contributions. Key contributions include: (1) We are the first to propose a Shapley Value-based methodology for quantifying the contributions of capabilities in LLM agents; (2) Modules with high Shapley Values consistently lead to predictable performance gains when combined, enabling targeted optimization; and (3) We build a multi-round dataset of over 1,500 entries spanning diverse domains and practical task scenarios, enabling comprehensive evaluation of agent capabilities. CapaBench bridges the gap between component-level evaluation and holistic system assessment, providing actionable insights for optimizing modular LLM agents and advancing their deployment in complex, real-world scenarios.

  • 16 authors
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Feb 1, 2025

Anatomy of a Machine Learning Ecosystem: 2 Million Models on Hugging Face

Many have observed that the development and deployment of generative machine learning (ML) and artificial intelligence (AI) models follow a distinctive pattern in which pre-trained models are adapted and fine-tuned for specific downstream tasks. However, there is limited empirical work that examines the structure of these interactions. This paper analyzes 1.86 million models on Hugging Face, a leading peer production platform for model development. Our study of model family trees -- networks that connect fine-tuned models to their base or parent -- reveals sprawling fine-tuning lineages that vary widely in size and structure. Using an evolutionary biology lens to study ML models, we use model metadata and model cards to measure the genetic similarity and mutation of traits over model families. We find that models tend to exhibit a family resemblance, meaning their genetic markers and traits exhibit more overlap when they belong to the same model family. However, these similarities depart in certain ways from standard models of asexual reproduction, because mutations are fast and directed, such that two `sibling' models tend to exhibit more similarity than parent/child pairs. Further analysis of the directional drifts of these mutations reveals qualitative insights about the open machine learning ecosystem: Licenses counter-intuitively drift from restrictive, commercial licenses towards permissive or copyleft licenses, often in violation of upstream license's terms; models evolve from multi-lingual compatibility towards english-only compatibility; and model cards reduce in length and standardize by turning, more often, to templates and automatically generated text. Overall, this work takes a step toward an empirically grounded understanding of model fine-tuning and suggests that ecological models and methods can yield novel scientific insights.

  • 3 authors
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Aug 9, 2025 4

Exploring Silicon-Based Societies: An Early Study of the Moltbook Agent Community

The rapid emergence of autonomous large language model agents has given rise to persistent, large-scale agent ecosystems whose collective behavior cannot be adequately understood through anecdotal observation or small-scale simulation. This paper introduces data-driven silicon sociology as a systematic empirical framework for studying social structure formation among interacting artificial agents. We present a pioneering large-scale data mining investigation of an in-the-wild agent society by analyzing Moltbook, a social platform designed primarily for agent-to-agent interaction. At the time of study, Moltbook hosted over 150,000 registered autonomous agents operating across thousands of agent-created sub-communities. Using programmatic and non-intrusive data acquisition, we collected and analyzed the textual descriptions of 12,758 submolts, which represent proactive sub-community partitioning activities within the ecosystem. Treating agent-authored descriptions as first-class observational artifacts, we apply rigorous preprocessing, contextual embedding, and unsupervised clustering techniques to uncover latent patterns of thematic organization and social space structuring. The results show that autonomous agents systematically organize collective space through reproducible patterns spanning human-mimetic interests, silicon-centric self-reflection, and early-stage economic and coordination behaviors. Rather than relying on predefined sociological taxonomies, these structures emerge directly from machine-generated data traces. This work establishes a methodological foundation for data-driven silicon sociology and demonstrates that data mining techniques can provide a powerful lens for understanding the organization and evolution of large autonomous agent societies.

  • 8 authors
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Feb 2

Fine-tuning large language models for domain adaptation: Exploration of training strategies, scaling, model merging and synergistic capabilities

The advancement of Large Language Models (LLMs) for domain applications in fields such as materials science and engineering depends on the development of fine-tuning strategies that adapt models for specialized, technical capabilities. In this work, we explore the effects of Continued Pretraining (CPT), Supervised Fine-Tuning (SFT), and various preference-based optimization approaches, including Direct Preference Optimization (DPO) and Odds Ratio Preference Optimization (ORPO), on fine-tuned LLM performance. Our analysis shows how these strategies influence model outcomes and reveals that the merging of multiple fine-tuned models can lead to the emergence of capabilities that surpass the individual contributions of the parent models. We find that model merging leads to new functionalities that neither parent model could achieve alone, leading to improved performance in domain-specific assessments. Experiments with different model architectures are presented, including Llama 3.1 8B and Mistral 7B models, where similar behaviors are observed. Exploring whether the results hold also for much smaller models, we use a tiny LLM with 1.7 billion parameters and show that very small LLMs do not necessarily feature emergent capabilities under model merging, suggesting that model scaling may be a key component. In open-ended yet consistent chat conversations between a human and AI models, our assessment reveals detailed insights into how different model variants perform and show that the smallest model achieves a high intelligence score across key criteria including reasoning depth, creativity, clarity, and quantitative precision. Other experiments include the development of image generation prompts based on disparate biological material design concepts, to create new microstructures, architectural concepts, and urban design based on biological materials-inspired construction principles.

  • 3 authors
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Sep 5, 2024

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

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

  • 8 authors
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Jun 14, 2025

Of Models and Tin Men: A Behavioural Economics Study of Principal-Agent Problems in AI Alignment using Large-Language Models

AI Alignment is often presented as an interaction between a single designer and an artificial agent in which the designer attempts to ensure the agent's behavior is consistent with its purpose, and risks arise solely because of conflicts caused by inadvertent misalignment between the utility function intended by the designer and the resulting internal utility function of the agent. With the advent of agents instantiated with large-language models (LLMs), which are typically pre-trained, we argue this does not capture the essential aspects of AI safety because in the real world there is not a one-to-one correspondence between designer and agent, and the many agents, both artificial and human, have heterogeneous values. Therefore, there is an economic aspect to AI safety and the principal-agent problem is likely to arise. In a principal-agent problem conflict arises because of information asymmetry together with inherent misalignment between the utility of the agent and its principal, and this inherent misalignment cannot be overcome by coercing the agent into adopting a desired utility function through training. We argue the assumptions underlying principal-agent problems are crucial to capturing the essence of safety problems involving pre-trained AI models in real-world situations. Taking an empirical approach to AI safety, we investigate how GPT models respond in principal-agent conflicts. We find that agents based on both GPT-3.5 and GPT-4 override their principal's objectives in a simple online shopping task, showing clear evidence of principal-agent conflict. Surprisingly, the earlier GPT-3.5 model exhibits more nuanced behaviour in response to changes in information asymmetry, whereas the later GPT-4 model is more rigid in adhering to its prior alignment. Our results highlight the importance of incorporating principles from economics into the alignment process.

  • 2 authors
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Jul 20, 2023

MasHost Builds It All: Autonomous Multi-Agent System Directed by Reinforcement Learning

Large Language Model (LLM)-driven Multi-agent systems (Mas) have recently emerged as a powerful paradigm for tackling complex real-world tasks. However, existing Mas construction methods typically rely on manually crafted interaction mechanisms or heuristic rules, introducing human biases and constraining the autonomous ability. Even with recent advances in adaptive Mas construction, existing systems largely remain within the paradigm of semi-autonomous patterns. In this work, we propose MasHost, a Reinforcement Learning (RL)-based framework for autonomous and query-adaptive Mas design. By formulating Mas construction as a graph search problem, our proposed MasHost jointly samples agent roles and their interactions through a unified probabilistic sampling mechanism. Beyond the accuracy and efficiency objectives pursued in prior works, we introduce component rationality as an additional and novel design principle in Mas. To achieve this multi-objective optimization, we propose Hierarchical Relative Policy Optimization (HRPO), a novel RL strategy that collaboratively integrates group-relative advantages and action-wise rewards. To our knowledge, our proposed MasHost is the first RL-driven framework for autonomous Mas graph construction. Extensive experiments on six benchmarks demonstrate that MasHost consistently outperforms most competitive baselines, validating its effectiveness, efficiency, and structure rationality.

  • 8 authors
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Jun 10, 2025

Agent Primitives: Reusable Latent Building Blocks for Multi-Agent Systems

While existing multi-agent systems (MAS) can handle complex problems by enabling collaboration among multiple agents, they are often highly task-specific, relying on manually crafted agent roles and interaction prompts, which leads to increased architectural complexity and limited reusability across tasks. Moreover, most MAS communicate primarily through natural language, making them vulnerable to error accumulation and instability in long-context, multi-stage interactions within internal agent histories. In this work, we propose Agent Primitives, a set of reusable latent building blocks for LLM-based MAS. Inspired by neural network design, where complex models are built from reusable components, we observe that many existing MAS architectures can be decomposed into a small number of recurring internal computation patterns. Based on this observation, we instantiate three primitives: Review, Voting and Selection, and Planning and Execution. All primitives communicate internally via key-value (KV) cache, which improves both robustness and efficiency by mitigating information degradation across multi-stage interactions. To enable automatic system construction, an Organizer agent selects and composes primitives for each query, guided by a lightweight knowledge pool of previously successful configurations, forming a primitive-based MAS. Experiments show that primitives-based MAS improve average accuracy by 12.0-16.5\% over single-agent baselines, reduce token usage and inference latency by approximately 3times-4times compared to text-based MAS, while incurring only 1.3times-1.6times overhead relative to single-agent inference and providing more stable performance across model backbones.

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.

  • 7 authors
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Jan 2, 2025 2