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Aug 1

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.

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

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

Generative agent-based modeling with actions grounded in physical, social, or digital space using Concordia

Agent-based modeling has been around for decades, and applied widely across the social and natural sciences. The scope of this research method is now poised to grow dramatically as it absorbs the new affordances provided by Large Language Models (LLM)s. Generative Agent-Based Models (GABM) are not just classic Agent-Based Models (ABM)s where the agents talk to one another. Rather, GABMs are constructed using an LLM to apply common sense to situations, act "reasonably", recall common semantic knowledge, produce API calls to control digital technologies like apps, and communicate both within the simulation and to researchers viewing it from the outside. Here we present Concordia, a library to facilitate constructing and working with GABMs. Concordia makes it easy to construct language-mediated simulations of physically- or digitally-grounded environments. Concordia agents produce their behavior using a flexible component system which mediates between two fundamental operations: LLM calls and associative memory retrieval. A special agent called the Game Master (GM), which was inspired by tabletop role-playing games, is responsible for simulating the environment where the agents interact. Agents take actions by describing what they want to do in natural language. The GM then translates their actions into appropriate implementations. In a simulated physical world, the GM checks the physical plausibility of agent actions and describes their effects. In digital environments simulating technologies such as apps and services, the GM may handle API calls to integrate with external tools such as general AI assistants (e.g., Bard, ChatGPT), and digital apps (e.g., Calendar, Email, Search, etc.). Concordia was designed to support a wide array of applications both in scientific research and for evaluating performance of real digital services by simulating users and/or generating synthetic data.

Can Generative Agent-Based Modeling Replicate the Friendship Paradox in Social Media Simulations?

Generative Agent-Based Modeling (GABM) is an emerging simulation paradigm that combines the reasoning abilities of Large Language Models with traditional Agent-Based Modeling to replicate complex social behaviors, including interactions on social media. While prior work has focused on localized phenomena such as opinion formation and information spread, its potential to capture global network dynamics remains underexplored. This paper addresses this gap by analyzing GABM-based social media simulations through the lens of the Friendship Paradox (FP), a counterintuitive phenomenon where individuals, on average, have fewer friends than their friends. We propose a GABM framework for social media simulations, featuring generative agents that emulate real users with distinct personalities and interests. Using Twitter datasets on the US 2020 Election and the QAnon conspiracy, we show that the FP emerges naturally in GABM simulations. Consistent with real-world observations, the simulations unveil a hierarchical structure, where agents preferentially connect with others displaying higher activity or influence. Additionally, we find that infrequent connections primarily drive the FP, reflecting patterns in real networks. These findings validate GABM as a robust tool for modeling global social media phenomena and highlight its potential for advancing social science by enabling nuanced analysis of user behavior.

LLM-Agent-UMF: LLM-based Agent Unified Modeling Framework for Seamless Integration of Multi Active/Passive Core-Agents

The integration of tools in LLM-based agents overcame the difficulties of standalone LLMs and traditional agents' limited capabilities. However, the conjunction of these technologies and the proposed enhancements in several state-of-the-art works followed a non-unified software architecture resulting in a lack of modularity. Indeed, they focused mainly on functionalities and overlooked the definition of the component's boundaries within the agent. This caused terminological and architectural ambiguities between researchers which we addressed in this paper by proposing a unified framework that establishes a clear foundation for LLM-based agents' development from both functional and software architectural perspectives. Our framework, LLM-Agent-UMF (LLM-based Agent Unified Modeling Framework), clearly distinguishes between the different components of an agent, setting LLMs, and tools apart from a newly introduced element: the core-agent, playing the role of the central coordinator of the agent which comprises five modules: planning, memory, profile, action, and security, the latter often neglected in previous works. Differences in the internal structure of core-agents led us to classify them into a taxonomy of passive and active types. Based on this, we proposed different multi-core agent architectures combining unique characteristics of various individual agents. For evaluation purposes, we applied this framework to a selection of state-of-the-art agents, thereby demonstrating its alignment with their functionalities and clarifying the overlooked architectural aspects. Moreover, we thoroughly assessed four of our proposed architectures by integrating distinctive agents into hybrid active/passive core-agents' systems. This analysis provided clear insights into potential improvements and highlighted the challenges involved in the combination of specific agents.

DRoPE: Directional Rotary Position Embedding for Efficient Agent Interaction Modeling

Accurate and efficient modeling of agent interactions is essential for trajectory generation, the core of autonomous driving systems. Existing methods, scene-centric, agent-centric, and query-centric frameworks, each present distinct advantages and drawbacks, creating an impossible triangle among accuracy, computational time, and memory efficiency. To break this limitation, we propose Directional Rotary Position Embedding (DRoPE), a novel adaptation of Rotary Position Embedding (RoPE), originally developed in natural language processing. Unlike traditional relative position embedding (RPE), which introduces significant space complexity, RoPE efficiently encodes relative positions without explicitly increasing complexity but faces inherent limitations in handling angular information due to periodicity. DRoPE overcomes this limitation by introducing a uniform identity scalar into RoPE's 2D rotary transformation, aligning rotation angles with realistic agent headings to naturally encode relative angular information. We theoretically analyze DRoPE's correctness and efficiency, demonstrating its capability to simultaneously optimize trajectory generation accuracy, time complexity, and space complexity. Empirical evaluations compared with various state-of-the-art trajectory generation models, confirm DRoPE's good performance and significantly reduced space complexity, indicating both theoretical soundness and practical effectiveness. The video documentation is available at https://drope-traj.github.io/.

Digital cloning of online social networks for language-sensitive agent-based modeling of misinformation spread

We develop a simulation framework for studying misinformation spread within online social networks that blends agent-based modeling and natural language processing techniques. While many other agent-based simulations exist in this space, questions over their fidelity and generalization to existing networks in part hinders their ability to provide actionable insights. To partially address these concerns, we create a 'digital clone' of a known misinformation sharing network by downloading social media histories for over ten thousand of its users. We parse these histories to both extract the structure of the network and model the nuanced ways in which information is shared and spread among its members. Unlike many other agent-based methods in this space, information sharing between users in our framework is sensitive to topic of discussion, user preferences, and online community dynamics. To evaluate the fidelity of our method, we seed our cloned network with a set of posts recorded in the base network and compare propagation dynamics between the two, observing reasonable agreement across the twin networks over a variety of metrics. Lastly, we explore how the cloned network may serve as a flexible, low-cost testbed for misinformation countermeasure evaluation and red teaming analysis. We hope the tools explored here augment existing efforts in the space and unlock new opportunities for misinformation countermeasure evaluation, a field that may become increasingly important to consider with the anticipated rise of misinformation campaigns fueled by generative artificial intelligence.

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.

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.

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.

MechGPT, a language-based strategy for mechanics and materials modeling that connects knowledge across scales, disciplines and modalities

For centuries, researchers have sought out ways to connect disparate areas of knowledge. While early scholars (Galileo, da Vinci, etc.) were experts across fields, specialization has taken hold later. With the advent of Artificial Intelligence, we can now explore relationships across areas (e.g., mechanics-biology) or disparate domains (e.g., failure mechanics-art). To achieve this, we use a fine-tuned Large Language Model (LLM), here for a subset of knowledge in multiscale materials failure. The approach includes the use of a general-purpose LLM to distill question-answer pairs from raw sources followed by LLM fine-tuning. The resulting MechGPT LLM foundation model is used in a series of computational experiments to explore its capacity for knowledge retrieval, various language tasks, hypothesis generation, and connecting knowledge across disparate areas. While the model has some ability to recall knowledge from training, we find that LLMs are particularly useful to extract structural insights through Ontological Knowledge Graphs. These interpretable graph structures provide explanatory insights, frameworks for new research questions, and visual representations of knowledge that also can be used in retrieval-augmented generation. Three versions of MechGPT are discussed, featuring different sizes from 13 billion to 70 billion parameters, and reaching context lengths of more than 10,000 tokens. This provides ample capacity for sophisticated retrieval augmented strategies, as well as agent-based modeling where multiple LLMs interact collaboratively and/or adversarially, the incorporation of new data from the literature or web searches, as well as multimodality.

Ollabench: Evaluating LLMs' Reasoning for Human-centric Interdependent Cybersecurity

Large Language Models (LLMs) have the potential to enhance Agent-Based Modeling by better representing complex interdependent cybersecurity systems, improving cybersecurity threat modeling and risk management. However, evaluating LLMs in this context is crucial for legal compliance and effective application development. Existing LLM evaluation frameworks often overlook the human factor and cognitive computing capabilities essential for interdependent cybersecurity. To address this gap, I propose OllaBench, a novel evaluation framework that assesses LLMs' accuracy, wastefulness, and consistency in answering scenario-based information security compliance and non-compliance questions. OllaBench is built on a foundation of 24 cognitive behavioral theories and empirical evidence from 38 peer-reviewed papers. OllaBench was used to evaluate 21 LLMs, including both open-weight and commercial models from OpenAI, Anthropic, Google, Microsoft, Meta and so on. The results reveal that while commercial LLMs have the highest overall accuracy scores, there is significant room for improvement. Smaller low-resolution open-weight LLMs are not far behind in performance, and there are significant differences in token efficiency and consistency among the evaluated models. OllaBench provides a user-friendly interface and supports a wide range of LLM platforms, making it a valuable tool for researchers and solution developers in the field of human-centric interdependent cybersecurity and beyond.

NExT-GPT: Any-to-Any Multimodal LLM

While recently Multimodal Large Language Models (MM-LLMs) have made exciting strides, they mostly fall prey to the limitation of only input-side multimodal understanding, without the ability to produce content in multiple modalities. As we humans always perceive the world and communicate with people through various modalities, developing any-to-any MM-LLMs capable of accepting and delivering content in any modality becomes essential to human-level AI. To fill the gap, we present an end-to-end general-purpose any-to-any MM-LLM system, NExT-GPT. We connect an LLM with multimodal adaptors and different diffusion decoders, enabling NExT-GPT to perceive inputs and generate outputs in arbitrary combinations of text, images, videos, and audio. By leveraging the existing well-trained highly-performing encoders and decoders, NExT-GPT is tuned with only a small amount of parameter (1%) of certain projection layers, which not only benefits low-cost training and also facilitates convenient expansion to more potential modalities. Moreover, we introduce a modality-switching instruction tuning (MosIT) and manually curate a high-quality dataset for MosIT, based on which NExT-GPT is empowered with complex cross-modal semantic understanding and content generation. Overall, our research showcases the promising possibility of building an AI agent capable of modeling universal modalities, paving the way for more human-like AI research in the community.

MM-Agent: LLM as Agents for Real-world Mathematical Modeling Problem

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical reasoning, which assumes a predefined formulation, modeling requires open-ended problem analysis, abstraction, and principled formalization. While Large Language Models (LLMs) have shown strong reasoning capabilities, they fall short in rigorous model construction, limiting their utility in real-world problem-solving. To this end, we formalize the task of LLM-powered real-world mathematical modeling, where agents must analyze problems, construct domain-appropriate formulations, and generate complete end-to-end solutions. We introduce MM-Bench, a curated benchmark of 111 problems from the Mathematical Contest in Modeling (MCM/ICM), spanning the years 2000 to 2025 and across ten diverse domains such as physics, biology, and economics. To tackle this task, we propose MM-Agent, an expert-inspired framework that decomposes mathematical modeling into four stages: open-ended problem analysis, structured model formulation, computational problem solving, and report generation. Experiments on MM-Bench show that MM-Agent significantly outperforms baseline agents, achieving an 11.88\% improvement over human expert solutions while requiring only 15 minutes and \$0.88 per task using GPT-4o. Furthermore, under official MCM/ICM protocols, MM-Agent assisted two undergraduate teams in winning the Finalist Award (top 2.0\% among 27,456 teams) in MCM/ICM 2025, demonstrating its practical effectiveness as a modeling copilot. Our code is available at https://github.com/usail-hkust/LLM-MM-Agent

MetaMind: Modeling Human Social Thoughts with Metacognitive Multi-Agent Systems

Human social interactions depend on the ability to infer others' unspoken intentions, emotions, and beliefs-a cognitive skill grounded in the psychological concept of Theory of Mind (ToM). While large language models (LLMs) excel in semantic understanding tasks, they struggle with the ambiguity and contextual nuance inherent in human communication. To bridge this gap, we introduce MetaMind, a multi-agent framework inspired by psychological theories of metacognition, designed to emulate human-like social reasoning. MetaMind decomposes social understanding into three collaborative stages: (1) a Theory-of-Mind Agent generates hypotheses user mental states (e.g., intent, emotion), (2) a Domain Agent refines these hypotheses using cultural norms and ethical constraints, and (3) a Response Agent generates contextually appropriate responses while validating alignment with inferred intent. Our framework achieves state-of-the-art performance across three challenging benchmarks, with 35.7% improvement in real-world social scenarios and 6.2% gain in ToM reasoning. Notably, it enables LLMs to match human-level performance on key ToM tasks for the first time. Ablation studies confirm the necessity of all components, which showcase the framework's ability to balance contextual plausibility, social appropriateness, and user adaptation. This work advances AI systems toward human-like social intelligence, with applications in empathetic dialogue and culturally sensitive interactions. Code is available at https://github.com/XMZhangAI/MetaMind.

Communication Learning in Multi-Agent Systems from Graph Modeling Perspective

In numerous artificial intelligence applications, the collaborative efforts of multiple intelligent agents are imperative for the successful attainment of target objectives. To enhance coordination among these agents, a distributed communication framework is often employed. However, indiscriminate information sharing among all agents can be resource-intensive, and the adoption of manually pre-defined communication architectures imposes constraints on inter-agent communication, thus limiting the potential for effective collaboration. Moreover, the communication framework often remains static during inference, which may result in sustained high resource consumption, as in most cases, only key decisions necessitate information sharing among agents. In this study, we introduce a novel approach wherein we conceptualize the communication architecture among agents as a learnable graph. We formulate this problem as the task of determining the communication graph while enabling the architecture parameters to update normally, thus necessitating a bi-level optimization process. Utilizing continuous relaxation of the graph representation and incorporating attention units, our proposed approach, CommFormer, efficiently optimizes the communication graph and concurrently refines architectural parameters through gradient descent in an end-to-end manner. Additionally, we introduce a temporal gating mechanism for each agent, enabling dynamic decisions on whether to receive shared information at a given time, based on current observations, thus improving decision-making efficiency. Extensive experiments on a variety of cooperative tasks substantiate the robustness of our model across diverse cooperative scenarios, where agents are able to develop more coordinated and sophisticated strategies regardless of changes in the number of agents.

Enhancing Human Experience in Human-Agent Collaboration: A Human-Centered Modeling Approach Based on Positive Human Gain

Existing game AI research mainly focuses on enhancing agents' abilities to win games, but this does not inherently make humans have a better experience when collaborating with these agents. For example, agents may dominate the collaboration and exhibit unintended or detrimental behaviors, leading to poor experiences for their human partners. In other words, most game AI agents are modeled in a "self-centered" manner. In this paper, we propose a "human-centered" modeling scheme for collaborative agents that aims to enhance the experience of humans. Specifically, we model the experience of humans as the goals they expect to achieve during the task. We expect that agents should learn to enhance the extent to which humans achieve these goals while maintaining agents' original abilities (e.g., winning games). To achieve this, we propose the Reinforcement Learning from Human Gain (RLHG) approach. The RLHG approach introduces a "baseline", which corresponds to the extent to which humans primitively achieve their goals, and encourages agents to learn behaviors that can effectively enhance humans in achieving their goals better. We evaluate the RLHG agent in the popular Multi-player Online Battle Arena (MOBA) game, Honor of Kings, by conducting real-world human-agent tests. Both objective performance and subjective preference results show that the RLHG agent provides participants better gaming experience.

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.

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}.

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.

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

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

IntersectionZoo: Eco-driving for Benchmarking Multi-Agent Contextual Reinforcement Learning

Despite the popularity of multi-agent reinforcement learning (RL) in simulated and two-player applications, its success in messy real-world applications has been limited. A key challenge lies in its generalizability across problem variations, a common necessity for many real-world problems. Contextual reinforcement learning (CRL) formalizes learning policies that generalize across problem variations. However, the lack of standardized benchmarks for multi-agent CRL has hindered progress in the field. Such benchmarks are desired to be based on real-world applications to naturally capture the many open challenges of real-world problems that affect generalization. To bridge this gap, we propose IntersectionZoo, a comprehensive benchmark suite for multi-agent CRL through the real-world application of cooperative eco-driving in urban road networks. The task of cooperative eco-driving is to control a fleet of vehicles to reduce fleet-level vehicular emissions. By grounding IntersectionZoo in a real-world application, we naturally capture real-world problem characteristics, such as partial observability and multiple competing objectives. IntersectionZoo is built on data-informed simulations of 16,334 signalized intersections derived from 10 major US cities, modeled in an open-source industry-grade microscopic traffic simulator. By modeling factors affecting vehicular exhaust emissions (e.g., temperature, road conditions, travel demand), IntersectionZoo provides one million data-driven traffic scenarios. Using these traffic scenarios, we benchmark popular multi-agent RL and human-like driving algorithms and demonstrate that the popular multi-agent RL algorithms struggle to generalize in CRL settings.

ImmerseGen: Agent-Guided Immersive World Generation with Alpha-Textured Proxies

Automatic creation of 3D scenes for immersive VR presence has been a significant research focus for decades. However, existing methods often rely on either high-poly mesh modeling with post-hoc simplification or massive 3D Gaussians, resulting in a complex pipeline or limited visual realism. In this paper, we demonstrate that such exhaustive modeling is unnecessary for achieving compelling immersive experience. We introduce ImmerseGen, a novel agent-guided framework for compact and photorealistic world modeling. ImmerseGen represents scenes as hierarchical compositions of lightweight geometric proxies, i.e., simplified terrain and billboard meshes, and generates photorealistic appearance by synthesizing RGBA textures onto these proxies. Specifically, we propose terrain-conditioned texturing for user-centric base world synthesis, and RGBA asset texturing for midground and foreground scenery. This reformulation offers several advantages: (i) it simplifies modeling by enabling agents to guide generative models in producing coherent textures that integrate seamlessly with the scene; (ii) it bypasses complex geometry creation and decimation by directly synthesizing photorealistic textures on proxies, preserving visual quality without degradation; (iii) it enables compact representations suitable for real-time rendering on mobile VR headsets. To automate scene creation from text prompts, we introduce VLM-based modeling agents enhanced with semantic grid-based analysis for improved spatial reasoning and accurate asset placement. ImmerseGen further enriches scenes with dynamic effects and ambient audio to support multisensory immersion. Experiments on scene generation and live VR showcases demonstrate that ImmerseGen achieves superior photorealism, spatial coherence and rendering efficiency compared to prior methods. Project webpage: https://immersegen.github.io.

Knowledge Graph Modeling-Driven Large Language Model Operating System (LLM OS) for Task Automation in Process Engineering Problem-Solving

We present the Process Engineering Operations Assistant (PEOA), an AI-driven framework designed to solve complex problems in the chemical and process industries. The framework employs a modular architecture orchestrated by a meta-agent, which serves as the central coordinator, managing an action generator and instruction-tuned small-scale language models (expert models). The action generator decomposes complex problems into sub-tasks and identifies suitable expert models to execute each, delivering precise solutions for multi-step problem-solving. Key techniques include advanced knowledge modeling using property graphs for improved information retrieval, facilitating more accurate and contextually relevant solutions. Additionally, the framework utilizes a teacher-student transfer-learning approach with GPT-4 (Omni) to fine-tune the action generator and expert models for domain adaptation, alongside an iterative problem-solving mechanism with sophisticated error handling. Custom datasets were developed to evaluate the framework against leading proprietary language models on various engineering tasks. The results demonstrate the framework effectiveness in automating calculations, accelerating prototyping, and providing AI-augmented decision support for industrial processes, marking a significant advancement in process engineering capabilities.

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.

MAPLE: A Mobile Agent with Persistent Finite State Machines for Structured Task Reasoning

Mobile GUI agents aim to autonomously complete user-instructed tasks across mobile apps. Recent advances in Multimodal Large Language Models (MLLMs) enable these agents to interpret UI screens, identify actionable elements, and perform interactions such as tapping or typing. However, existing agents remain reactive: they reason only over the current screen and lack a structured model of app navigation flow, limiting their ability to understand context, detect unexpected outcomes, and recover from errors. We present MAPLE, a state-aware multi-agent framework that abstracts app interactions as a Finite State Machine (FSM). We computationally model each UI screen as a discrete state and user actions as transitions, allowing the FSM to provide a structured representation of the app execution. MAPLE consists of specialized agents responsible for four phases of task execution: planning, execution, verification, error recovery, and knowledge retention. These agents collaborate to dynamically construct FSMs in real time based on perception data extracted from the UI screen, allowing the GUI agents to track navigation progress and flow, validate action outcomes through pre- and post-conditions of the states, and recover from errors by rolling back to previously stable states. Our evaluation results on two challenging cross-app benchmarks, Mobile-Eval-E and SPA-Bench, show that MAPLE outperforms the state-of-the-art baseline, improving task success rate by up to 12%, recovery success by 13.8%, and action accuracy by 6.5%. Our results highlight the importance of structured state modeling in guiding mobile GUI agents during task execution. Moreover, our FSM representation can be integrated into future GUI agent architectures as a lightweight, model-agnostic memory layer to support structured planning, execution verification, and error recovery.

Parallel Bayesian Optimization of Agent-based Transportation Simulation

MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.

3D-GPT: Procedural 3D Modeling with Large Language Models

In the pursuit of efficient automated content creation, procedural generation, leveraging modifiable parameters and rule-based systems, emerges as a promising approach. Nonetheless, it could be a demanding endeavor, given its intricate nature necessitating a deep understanding of rules, algorithms, and parameters. To reduce workload, we introduce 3D-GPT, a framework utilizing large language models~(LLMs) for instruction-driven 3D modeling. 3D-GPT positions LLMs as proficient problem solvers, dissecting the procedural 3D modeling tasks into accessible segments and appointing the apt agent for each task. 3D-GPT integrates three core agents: the task dispatch agent, the conceptualization agent, and the modeling agent. They collaboratively achieve two objectives. First, it enhances concise initial scene descriptions, evolving them into detailed forms while dynamically adapting the text based on subsequent instructions. Second, it integrates procedural generation, extracting parameter values from enriched text to effortlessly interface with 3D software for asset creation. Our empirical investigations confirm that 3D-GPT not only interprets and executes instructions, delivering reliable results but also collaborates effectively with human designers. Furthermore, it seamlessly integrates with Blender, unlocking expanded manipulation possibilities. Our work highlights the potential of LLMs in 3D modeling, offering a basic framework for future advancements in scene generation and animation.

Agent Attention: On the Integration of Softmax and Linear Attention

The attention module is the key component in Transformers. While the global attention mechanism offers high expressiveness, its excessive computational cost restricts its applicability in various scenarios. In this paper, we propose a novel attention paradigm, Agent Attention, to strike a favorable balance between computational efficiency and representation power. Specifically, the Agent Attention, denoted as a quadruple (Q, A, K, V), introduces an additional set of agent tokens A into the conventional attention module. The agent tokens first act as the agent for the query tokens Q to aggregate information from K and V, and then broadcast the information back to Q. Given the number of agent tokens can be designed to be much smaller than the number of query tokens, the agent attention is significantly more efficient than the widely adopted Softmax attention, while preserving global context modelling capability. Interestingly, we show that the proposed agent attention is equivalent to a generalized form of linear attention. Therefore, agent attention seamlessly integrates the powerful Softmax attention and the highly efficient linear attention. Extensive experiments demonstrate the effectiveness of agent attention with various vision Transformers and across diverse vision tasks, including image classification, object detection, semantic segmentation and image generation. Notably, agent attention has shown remarkable performance in high-resolution scenarios, owning to its linear attention nature. For instance, when applied to Stable Diffusion, our agent attention accelerates generation and substantially enhances image generation quality without any additional training. Code is available at https://github.com/LeapLabTHU/Agent-Attention.

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

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

GameFormer: Game-theoretic Modeling and Learning of Transformer-based Interactive Prediction and Planning for Autonomous Driving

Autonomous vehicles operating in complex real-world environments require accurate predictions of interactive behaviors between traffic participants. This paper tackles the interaction prediction problem by formulating it with hierarchical game theory and proposing the GameFormer model for its implementation. The model incorporates a Transformer encoder, which effectively models the relationships between scene elements, alongside a novel hierarchical Transformer decoder structure. At each decoding level, the decoder utilizes the prediction outcomes from the previous level, in addition to the shared environmental context, to iteratively refine the interaction process. Moreover, we propose a learning process that regulates an agent's behavior at the current level to respond to other agents' behaviors from the preceding level. Through comprehensive experiments on large-scale real-world driving datasets, we demonstrate the state-of-the-art accuracy of our model on the Waymo interaction prediction task. Additionally, we validate the model's capacity to jointly reason about the motion plan of the ego agent and the behaviors of multiple agents in both open-loop and closed-loop planning tests, outperforming various baseline methods. Furthermore, we evaluate the efficacy of our model on the nuPlan planning benchmark, where it achieves leading performance.

Creating A Neural Pedagogical Agent by Jointly Learning to Review and Assess

Machine learning plays an increasing role in intelligent tutoring systems as both the amount of data available and specialization among students grow. Nowadays, these systems are frequently deployed on mobile applications. Users on such mobile education platforms are dynamic, frequently being added, accessing the application with varying levels of focus, and changing while using the service. The education material itself, on the other hand, is often static and is an exhaustible resource whose use in tasks such as problem recommendation must be optimized. The ability to update user models with respect to educational material in real-time is thus essential; however, existing approaches require time-consuming re-training of user features whenever new data is added. In this paper, we introduce a neural pedagogical agent for real-time user modeling in the task of predicting user response correctness, a central task for mobile education applications. Our model, inspired by work in natural language processing on sequence modeling and machine translation, updates user features in real-time via bidirectional recurrent neural networks with an attention mechanism over embedded question-response pairs. We experiment on the mobile education application SantaTOEIC, which has 559k users, 66M response data points as well as a set of 10k study problems each expert-annotated with topic tags and gathered since 2016. Our model outperforms existing approaches over several metrics in predicting user response correctness, notably out-performing other methods on new users without large question-response histories. Additionally, our attention mechanism and annotated tag set allow us to create an interpretable education platform, with a smart review system that addresses the aforementioned issue of varied user attention and problem exhaustion.

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.

PRefLexOR: Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning and Agentic Thinking

PRefLexOR (Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning) combines preference optimization with concepts from Reinforcement Learning to enable models to self-teach through iterative reasoning improvements. We propose a recursive learning approach that engages the model in multi-step reasoning, revisiting, and refining intermediate steps before producing a final output in training and inference phases. Through multiple training stages, the model first learns to align its reasoning with accurate decision paths by optimizing the log odds between preferred and non-preferred responses. During this process, PRefLexOR builds a dynamic knowledge graph by generating questions from random text chunks and retrieval-augmentation to contextualize relevant details from the entire training corpus. In the second stage, preference optimization enhances model performance by using rejection sampling to fine-tune reasoning quality by continually producing in-situ training data while masking the reasoning steps. Recursive optimization within a thinking token framework introduces iterative feedback loops, where the model refines reasoning, achieving deeper coherence, consistency, and adaptability. Implemented in small language models with only 3 billion parameters, we should that even tiny models can iteratively teach themselves to reason with greater depth and reflectivity. Our implementation is straightforward and can be incorporated into any existing pretrained LLM. We focus our examples on applications in biological materials science and demonstrate the method in a variety of case studies that range from in-domain to cross-domain applications. Using reasoning strategies that include thinking and reflection modalities we build a multi-agent recursive self-improving inference approach to successively improve responses via repeated sampling in inference time.

PACE: Data-Driven Virtual Agent Interaction in Dense and Cluttered Environments

We present PACE, a novel method for modifying motion-captured virtual agents to interact with and move throughout dense, cluttered 3D scenes. Our approach changes a given motion sequence of a virtual agent as needed to adjust to the obstacles and objects in the environment. We first take the individual frames of the motion sequence most important for modeling interactions with the scene and pair them with the relevant scene geometry, obstacles, and semantics such that interactions in the agents motion match the affordances of the scene (e.g., standing on a floor or sitting in a chair). We then optimize the motion of the human by directly altering the high-DOF pose at each frame in the motion to better account for the unique geometric constraints of the scene. Our formulation uses novel loss functions that maintain a realistic flow and natural-looking motion. We compare our method with prior motion generating techniques and highlight the benefits of our method with a perceptual study and physical plausibility metrics. Human raters preferred our method over the prior approaches. Specifically, they preferred our method 57.1% of the time versus the state-of-the-art method using existing motions, and 81.0% of the time versus a state-of-the-art motion synthesis method. Additionally, our method performs significantly higher on established physical plausibility and interaction metrics. Specifically, we outperform competing methods by over 1.2% in terms of the non-collision metric and by over 18% in terms of the contact metric. We have integrated our interactive system with Microsoft HoloLens and demonstrate its benefits in real-world indoor scenes. Our project website is available at https://gamma.umd.edu/pace/.

Anywhere: A Multi-Agent Framework for Reliable and Diverse Foreground-Conditioned Image Inpainting

Recent advancements in image inpainting, particularly through diffusion modeling, have yielded promising outcomes. However, when tested in scenarios involving the completion of images based on the foreground objects, current methods that aim to inpaint an image in an end-to-end manner encounter challenges such as "over-imagination", inconsistency between foreground and background, and limited diversity. In response, we introduce Anywhere, a pioneering multi-agent framework designed to address these issues. Anywhere utilizes a sophisticated pipeline framework comprising various agents such as Visual Language Model (VLM), Large Language Model (LLM), and image generation models. This framework consists of three principal components: the prompt generation module, the image generation module, and the outcome analyzer. The prompt generation module conducts a semantic analysis of the input foreground image, leveraging VLM to predict relevant language descriptions and LLM to recommend optimal language prompts. In the image generation module, we employ a text-guided canny-to-image generation model to create a template image based on the edge map of the foreground image and language prompts, and an image refiner to produce the outcome by blending the input foreground and the template image. The outcome analyzer employs VLM to evaluate image content rationality, aesthetic score, and foreground-background relevance, triggering prompt and image regeneration as needed. Extensive experiments demonstrate that our Anywhere framework excels in foreground-conditioned image inpainting, mitigating "over-imagination", resolving foreground-background discrepancies, and enhancing diversity. It successfully elevates foreground-conditioned image inpainting to produce more reliable and diverse results.

Extreme Event Prediction with Multi-agent Reinforcement Learning-based Parametrization of Atmospheric and Oceanic Turbulence

Global climate models (GCMs) are the main tools for understanding and predicting climate change. However, due to limited numerical resolutions, these models suffer from major structural uncertainties; e.g., they cannot resolve critical processes such as small-scale eddies in atmospheric and oceanic turbulence. Thus, such small-scale processes have to be represented as a function of the resolved scales via closures (parametrization). The accuracy of these closures is particularly important for capturing climate extremes. Traditionally, such closures are based on heuristics and simplifying assumptions about the unresolved physics. Recently, supervised-learned closures, trained offline on high-fidelity data, have been shown to outperform the classical physics-based closures. However, this approach requires a significant amount of high-fidelity training data and can also lead to instabilities. Reinforcement learning is emerging as a potent alternative for developing such closures as it requires only low-order statistics and leads to stable closures. In Scientific Multi-Agent Reinforcement Learning (SMARL) computational elements serve a dual role of discretization points and learning agents. We leverage SMARL and fundamentals of turbulence physics to learn closures for prototypes of atmospheric and oceanic turbulence. The policy is trained using only the enstrophy spectrum, which is nearly invariant and can be estimated from a few high-fidelity samples (these few samples are far from enough for supervised/offline learning). We show that these closures lead to stable low-resolution simulations that, at a fraction of the cost, can reproduce the high-fidelity simulations' statistics, including the tails of the probability density functions. The results demonstrate the high potential of SMARL for closure modeling for GCMs, especially in the regime of scarce data and indirect observations.

MAgIC: Investigation of Large Language Model Powered Multi-Agent in Cognition, Adaptability, Rationality and Collaboration

Large Language Models (LLMs) have marked a significant advancement in the field of natural language processing, demonstrating exceptional capabilities in reasoning, tool usage, and memory. As their applications extend into multi-agent environments, a need has arisen for a comprehensive evaluation framework that captures their abilities in reasoning, planning, collaboration, and more. This work introduces a novel benchmarking framework specifically tailored to assess LLMs within multi-agent settings, providing quantitative metrics to evaluate their judgment, reasoning, deception, self-awareness, cooperation, coordination, and rationality. We utilize games such as Chameleon and Undercover, alongside game theory scenarios like Cost Sharing, Multi-player Prisoner's Dilemma, and Public Good, to create diverse testing environments. Our framework is fortified with the Probabilistic Graphical Modeling (PGM) method, enhancing the LLMs' capabilities in navigating complex social and cognitive dimensions. The benchmark evaluates seven multi-agent systems powered by different LLMs, quantitatively highlighting a significant capability gap over threefold between the strongest, GPT-4, and the weakest, Llama-2-70B. It also confirms that our PGM enhancement boosts the inherent abilities of all selected models by 50% on average. Our codes are released here https://github.com/cathyxl/MAgIC.

Enhancing the General Agent Capabilities of Low-Parameter LLMs through Tuning and Multi-Branch Reasoning

Open-source pre-trained Large Language Models (LLMs) exhibit strong language understanding and generation capabilities, making them highly successful in a variety of tasks. However, when used as agents for dealing with complex problems in the real world, their performance is far inferior to large commercial models such as ChatGPT and GPT-4. As intelligent agents, LLMs need to have the capabilities of task planning, long-term memory, and the ability to leverage external tools to achieve satisfactory performance. Various methods have been proposed to enhance the agent capabilities of LLMs. On the one hand, methods involve constructing agent-specific data and fine-tuning the models. On the other hand, some methods focus on designing prompts that effectively activate the reasoning abilities of the LLMs. We explore both strategies on the 7B and 13B models. We propose a comprehensive method for constructing agent-specific data using GPT-4. Through supervised fine-tuning with constructed data, we find that for these models with a relatively small number of parameters, supervised fine-tuning can significantly reduce hallucination outputs and formatting errors in agent tasks. Furthermore, techniques such as multi-path reasoning and task decomposition can effectively decrease problem complexity and enhance the performance of LLMs as agents. We evaluate our method on five agent tasks of AgentBench and achieve satisfactory results.

IntellAgent: A Multi-Agent Framework for Evaluating Conversational AI Systems

Large Language Models (LLMs) are transforming artificial intelligence, evolving into task-oriented systems capable of autonomous planning and execution. One of the primary applications of LLMs is conversational AI systems, which must navigate multi-turn dialogues, integrate domain-specific APIs, and adhere to strict policy constraints. However, evaluating these agents remains a significant challenge, as traditional methods fail to capture the complexity and variability of real-world interactions. We introduce IntellAgent, a scalable, open-source multi-agent framework designed to evaluate conversational AI systems comprehensively. IntellAgent automates the creation of diverse, synthetic benchmarks by combining policy-driven graph modeling, realistic event generation, and interactive user-agent simulations. This innovative approach provides fine-grained diagnostics, addressing the limitations of static and manually curated benchmarks with coarse-grained metrics. IntellAgent represents a paradigm shift in evaluating conversational AI. By simulating realistic, multi-policy scenarios across varying levels of complexity, IntellAgent captures the nuanced interplay of agent capabilities and policy constraints. Unlike traditional methods, it employs a graph-based policy model to represent relationships, likelihoods, and complexities of policy interactions, enabling highly detailed diagnostics. IntellAgent also identifies critical performance gaps, offering actionable insights for targeted optimization. Its modular, open-source design supports seamless integration of new domains, policies, and APIs, fostering reproducibility and community collaboration. Our findings demonstrate that IntellAgent serves as an effective framework for advancing conversational AI by addressing challenges in bridging research and deployment. The framework is available at https://github.com/plurai-ai/intellagent

Graph Counselor: Adaptive Graph Exploration via Multi-Agent Synergy to Enhance LLM Reasoning

Graph Retrieval Augmented Generation (GraphRAG) effectively enhances external knowledge integration capabilities by explicitly modeling knowledge relationships, thereby improving the factual accuracy and generation quality of Large Language Models (LLMs) in specialized domains. However, existing methods suffer from two inherent limitations: 1) Inefficient Information Aggregation: They rely on a single agent and fixed iterative patterns, making it difficult to adaptively capture multi-level textual, structural, and degree information within graph data. 2) Rigid Reasoning Mechanism: They employ preset reasoning schemes, which cannot dynamically adjust reasoning depth nor achieve precise semantic correction. To overcome these limitations, we propose Graph Counselor, an GraphRAG method based on multi-agent collaboration. This method uses the Adaptive Graph Information Extraction Module (AGIEM), where Planning, Thought, and Execution Agents work together to precisely model complex graph structures and dynamically adjust information extraction strategies, addressing the challenges of multi-level dependency modeling and adaptive reasoning depth. Additionally, the Self-Reflection with Multiple Perspectives (SR) module improves the accuracy and semantic consistency of reasoning results through self-reflection and backward reasoning mechanisms. Experiments demonstrate that Graph Counselor outperforms existing methods in multiple graph reasoning tasks, exhibiting higher reasoning accuracy and generalization ability. Our code is available at https://github.com/gjq100/Graph-Counselor.git.

Scaling Autonomous Agents via Automatic Reward Modeling And Planning

Large language models (LLMs) have demonstrated remarkable capabilities across a range of text-generation tasks. However, LLMs still struggle with problems requiring multi-step decision-making and environmental feedback, such as online shopping, scientific reasoning, and mathematical problem-solving. Unlike pure text data, collecting large-scale decision-making data is challenging. Moreover, many powerful LLMs are only accessible through APIs, which hinders their fine-tuning for agent tasks due to cost and complexity. To address LLM agents' limitations, we propose a framework that can automatically learn a reward model from the environment without human annotations. This model can be used to evaluate the action trajectories of LLM agents and provide heuristics for task planning. Specifically, our approach involves employing one LLM-based agent to navigate an environment randomly, generating diverse action trajectories. Subsequently, a separate LLM is leveraged to assign a task intent and synthesize a negative response alongside the correct response for each trajectory. These triplets (task intent, positive response, and negative response) are then utilized as training data to optimize a reward model capable of scoring action trajectories. The effectiveness and generalizability of our framework are demonstrated through evaluations conducted on different agent benchmarks. In conclusion, our proposed framework represents a significant advancement in enhancing LLM agents' decision-making capabilities. By automating the learning of reward models, we overcome the challenges of data scarcity and API limitations, potentially revolutionizing the application of LLMs in complex and interactive environments. This research paves the way for more sophisticated AI agents capable of tackling a wide range of real-world problems requiring multi-step decision-making.

Optimus-2: Multimodal Minecraft Agent with Goal-Observation-Action Conditioned Policy

Building an agent that can mimic human behavior patterns to accomplish various open-world tasks is a long-term goal. To enable agents to effectively learn behavioral patterns across diverse tasks, a key challenge lies in modeling the intricate relationships among observations, actions, and language. To this end, we propose Optimus-2, a novel Minecraft agent that incorporates a Multimodal Large Language Model (MLLM) for high-level planning, alongside a Goal-Observation-Action Conditioned Policy (GOAP) for low-level control. GOAP contains (1) an Action-guided Behavior Encoder that models causal relationships between observations and actions at each timestep, then dynamically interacts with the historical observation-action sequence, consolidating it into fixed-length behavior tokens, and (2) an MLLM that aligns behavior tokens with open-ended language instructions to predict actions auto-regressively. Moreover, we introduce a high-quality Minecraft Goal-Observation-Action (MGOA)} dataset, which contains 25,000 videos across 8 atomic tasks, providing about 30M goal-observation-action pairs. The automated construction method, along with the MGOA dataset, can contribute to the community's efforts to train Minecraft agents. Extensive experimental results demonstrate that Optimus-2 exhibits superior performance across atomic tasks, long-horizon tasks, and open-ended instruction tasks in Minecraft. Please see the project page at https://cybertronagent.github.io/Optimus-2.github.io/.

OASIS: Open Agent Social Interaction Simulations with One Million Agents

There has been a growing interest in enhancing rule-based agent-based models (ABMs) for social media platforms (i.e., X, Reddit) with more realistic large language model (LLM) agents, thereby allowing for a more nuanced study of complex systems. As a result, several LLM-based ABMs have been proposed in the past year. While they hold promise, each simulator is specifically designed to study a particular scenario, making it time-consuming and resource-intensive to explore other phenomena using the same ABM. Additionally, these models simulate only a limited number of agents, whereas real-world social media platforms involve millions of users. To this end, we propose OASIS, a generalizable and scalable social media simulator. OASIS is designed based on real-world social media platforms, incorporating dynamically updated environments (i.e., dynamic social networks and post information), diverse action spaces (i.e., following, commenting), and recommendation systems (i.e., interest-based and hot-score-based). Additionally, OASIS supports large-scale user simulations, capable of modeling up to one million users. With these features, OASIS can be easily extended to different social media platforms to study large-scale group phenomena and behaviors. We replicate various social phenomena, including information spreading, group polarization, and herd effects across X and Reddit platforms. Moreover, we provide observations of social phenomena at different agent group scales. We observe that the larger agent group scale leads to more enhanced group dynamics and more diverse and helpful agents' opinions. These findings demonstrate OASIS's potential as a powerful tool for studying complex systems in digital environments.

Hierarchical Reinforcement Learning for Modeling User Novelty-Seeking Intent in Recommender Systems

Recommending novel content, which expands user horizons by introducing them to new interests, has been shown to improve users' long-term experience on recommendation platforms chen2021values. Users however are not constantly looking to explore novel content. It is therefore crucial to understand their novelty-seeking intent and adjust the recommendation policy accordingly. Most existing literature models a user's propensity to choose novel content or to prefer a more diverse set of recommendations at individual interactions. Hierarchical structure, on the other hand, exists in a user's novelty-seeking intent, which is manifested as a static and intrinsic user preference for seeking novelty along with a dynamic session-based propensity. To this end, we propose a novel hierarchical reinforcement learning-based method to model the hierarchical user novelty-seeking intent, and to adapt the recommendation policy accordingly based on the extracted user novelty-seeking propensity. We further incorporate diversity and novelty-related measurement in the reward function of the hierarchical RL (HRL) agent to encourage user exploration chen2021values. We demonstrate the benefits of explicitly modeling hierarchical user novelty-seeking intent in recommendations through extensive experiments on simulated and real-world datasets. In particular, we demonstrate that the effectiveness of our proposed hierarchical RL-based method lies in its ability to capture such hierarchically-structured intent. As a result, the proposed HRL model achieves superior performance on several public datasets, compared with state-of-art baselines.

Embodied Agent Interface: Benchmarking LLMs for Embodied Decision Making

We aim to evaluate Large Language Models (LLMs) for embodied decision making. While a significant body of work has been leveraging LLMs for decision making in embodied environments, we still lack a systematic understanding of their performance because they are usually applied in different domains, for different purposes, and built based on different inputs and outputs. Furthermore, existing evaluations tend to rely solely on a final success rate, making it difficult to pinpoint what ability is missing in LLMs and where the problem lies, which in turn blocks embodied agents from leveraging LLMs effectively and selectively. To address these limitations, we propose a generalized interface (Embodied Agent Interface) that supports the formalization of various types of tasks and input-output specifications of LLM-based modules. Specifically, it allows us to unify 1) a broad set of embodied decision-making tasks involving both state and temporally extended goals, 2) four commonly-used LLM-based modules for decision making: goal interpretation, subgoal decomposition, action sequencing, and transition modeling, and 3) a collection of fine-grained metrics which break down evaluation into various types of errors, such as hallucination errors, affordance errors, various types of planning errors, etc. Overall, our benchmark offers a comprehensive assessment of LLMs' performance for different subtasks, pinpointing the strengths and weaknesses in LLM-powered embodied AI systems, and providing insights for effective and selective use of LLMs in embodied decision making.

RCDN: Towards Robust Camera-Insensitivity Collaborative Perception via Dynamic Feature-based 3D Neural Modeling

Collaborative perception is dedicated to tackling the constraints of single-agent perception, such as occlusions, based on the multiple agents' multi-view sensor inputs. However, most existing works assume an ideal condition that all agents' multi-view cameras are continuously available. In reality, cameras may be highly noisy, obscured or even failed during the collaboration. In this work, we introduce a new robust camera-insensitivity problem: how to overcome the issues caused by the failed camera perspectives, while stabilizing high collaborative performance with low calibration cost? To address above problems, we propose RCDN, a Robust Camera-insensitivity collaborative perception with a novel Dynamic feature-based 3D Neural modeling mechanism. The key intuition of RCDN is to construct collaborative neural rendering field representations to recover failed perceptual messages sent by multiple agents. To better model collaborative neural rendering field, RCDN first establishes a geometry BEV feature based time-invariant static field with other agents via fast hash grid modeling. Based on the static background field, the proposed time-varying dynamic field can model corresponding motion vectors for foregrounds with appropriate positions. To validate RCDN, we create OPV2V-N, a new large-scale dataset with manual labelling under different camera failed scenarios. Extensive experiments conducted on OPV2V-N show that RCDN can be ported to other baselines and improve their robustness in extreme camera-insensitivity settings.

End-to-end Conversation Modeling Track in DSTC6

End-to-end training of neural networks is a promising approach to automatic construction of dialog systems using a human-to-human dialog corpus. Recently, Vinyals et al. tested neural conversation models using OpenSubtitles. Lowe et al. released the Ubuntu Dialogue Corpus for researching unstructured multi-turn dialogue systems. Furthermore, the approach has been extended to accomplish task oriented dialogs to provide information properly with natural conversation. For example, Ghazvininejad et al. proposed a knowledge grounded neural conversation model [3], where the research is aiming at combining conversational dialogs with task-oriented knowledge using unstructured data such as Twitter data for conversation and Foursquare data for external knowledge.However, the task is still limited to a restaurant information service, and has not yet been tested with a wide variety of dialog tasks. In addition, it is still unclear how to create intelligent dialog systems that can respond like a human agent. In consideration of these problems, we proposed a challenge track to the 6th dialog system technology challenges (DSTC6) using human-to-human dialog data to mimic human dialog behaviors. The focus of the challenge track is to train end-to-end conversation models from human-to-human conversation and accomplish end-to-end dialog tasks in various situations assuming a customer service, in which a system plays a role of human agent and generates natural and informative sentences in response to user's questions or comments given dialog context.

EqMotion: Equivariant Multi-agent Motion Prediction with Invariant Interaction Reasoning

Learning to predict agent motions with relationship reasoning is important for many applications. In motion prediction tasks, maintaining motion equivariance under Euclidean geometric transformations and invariance of agent interaction is a critical and fundamental principle. However, such equivariance and invariance properties are overlooked by most existing methods. To fill this gap, we propose EqMotion, an efficient equivariant motion prediction model with invariant interaction reasoning. To achieve motion equivariance, we propose an equivariant geometric feature learning module to learn a Euclidean transformable feature through dedicated designs of equivariant operations. To reason agent's interactions, we propose an invariant interaction reasoning module to achieve a more stable interaction modeling. To further promote more comprehensive motion features, we propose an invariant pattern feature learning module to learn an invariant pattern feature, which cooperates with the equivariant geometric feature to enhance network expressiveness. We conduct experiments for the proposed model on four distinct scenarios: particle dynamics, molecule dynamics, human skeleton motion prediction and pedestrian trajectory prediction. Experimental results show that our method is not only generally applicable, but also achieves state-of-the-art prediction performances on all the four tasks, improving by 24.0/30.1/8.6/9.2%. Code is available at https://github.com/MediaBrain-SJTU/EqMotion.

PokéChamp: an Expert-level Minimax Language Agent

We introduce Pok\'eChamp, a minimax agent powered by Large Language Models (LLMs) for Pok\'emon battles. Built on a general framework for two-player competitive games, Pok\'eChamp leverages the generalist capabilities of LLMs to enhance minimax tree search. Specifically, LLMs replace three key modules: (1) player action sampling, (2) opponent modeling, and (3) value function estimation, enabling the agent to effectively utilize gameplay history and human knowledge to reduce the search space and address partial observability. Notably, our framework requires no additional LLM training. We evaluate Pok\'eChamp in the popular Gen 9 OU format. When powered by GPT-4o, it achieves a win rate of 76% against the best existing LLM-based bot and 84% against the strongest rule-based bot, demonstrating its superior performance. Even with an open-source 8-billion-parameter Llama 3.1 model, Pok\'eChamp consistently outperforms the previous best LLM-based bot, Pok\'ellmon powered by GPT-4o, with a 64% win rate. Pok\'eChamp attains a projected Elo of 1300-1500 on the Pok\'emon Showdown online ladder, placing it among the top 30%-10% of human players. In addition, this work compiles the largest real-player Pok\'emon battle dataset, featuring over 3 million games, including more than 500k high-Elo matches. Based on this dataset, we establish a series of battle benchmarks and puzzles to evaluate specific battling skills. We further provide key updates to the local game engine. We hope this work fosters further research that leverage Pok\'emon battle as benchmark to integrate LLM technologies with game-theoretic algorithms addressing general multiagent problems. Videos, code, and dataset available at https://sites.google.com/view/pokechamp-llm.

MechAgents: Large language model multi-agent collaborations can solve mechanics problems, generate new data, and integrate knowledge

Solving mechanics problems using numerical methods requires comprehensive intelligent capability of retrieving relevant knowledge and theory, constructing and executing codes, analyzing the results, a task that has thus far mainly been reserved for humans. While emerging AI methods can provide effective approaches to solve end-to-end problems, for instance via the use of deep surrogate models or various data analytics strategies, they often lack physical intuition since knowledge is baked into the parametric complement through training, offering less flexibility when it comes to incorporating mathematical or physical insights. By leveraging diverse capabilities of multiple dynamically interacting large language models (LLMs), we can overcome the limitations of conventional approaches and develop a new class of physics-inspired generative machine learning platform, here referred to as MechAgents. A set of AI agents can solve mechanics tasks, here demonstrated for elasticity problems, via autonomous collaborations. A two-agent team can effectively write, execute and self-correct code, in order to apply finite element methods to solve classical elasticity problems in various flavors (different boundary conditions, domain geometries, meshes, small/finite deformation and linear/hyper-elastic constitutive laws, and others). For more complex tasks, we construct a larger group of agents with enhanced division of labor among planning, formulating, coding, executing and criticizing the process and results. The agents mutually correct each other to improve the overall team-work performance in understanding, formulating and validating the solution. Our framework shows the potential of synergizing the intelligence of language models, the reliability of physics-based modeling, and the dynamic collaborations among diverse agents, opening novel avenues for automation of solving engineering problems.

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

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

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

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

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.

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.

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

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

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.

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.

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

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

MLAgentBench: Evaluating Language Agents on Machine Learning Experimentation

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

A Survey on Large Language Model based Autonomous Agents

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

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}.

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.

MALT: Improving Reasoning with Multi-Agent LLM Training

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

Agent-R: Training Language Model Agents to Reflect via Iterative Self-Training

Large Language Models (LLMs) agents are increasingly pivotal for addressing complex tasks in interactive environments. Existing work mainly focuses on enhancing performance through behavior cloning from stronger experts, yet such approaches often falter in real-world applications, mainly due to the inability to recover from errors. However, step-level critique data is difficult and expensive to collect. Automating and dynamically constructing self-critique datasets is thus crucial to empowering models with intelligent agent capabilities. In this work, we propose an iterative self-training framework, Agent-R, that enables language Agent to Reflect on the fly. Unlike traditional methods that reward or penalize actions based on correctness, Agent-R leverages MCTS to construct training data that recover correct trajectories from erroneous ones. A key challenge of agent reflection lies in the necessity for timely revision rather than waiting until the end of a rollout. To address this, we introduce a model-guided critique construction mechanism: the actor model identifies the first error step (within its current capability) in a failed trajectory. Starting from it, we splice it with the adjacent correct path, which shares the same parent node in the tree. This strategy enables the model to learn reflection based on its current policy, therefore yielding better learning efficiency. To further explore the scalability of this self-improvement paradigm, we investigate iterative refinement of both error correction capabilities and dataset construction. Our findings demonstrate that Agent-R continuously improves the model's ability to recover from errors and enables timely error correction. Experiments on three interactive environments show that Agent-R effectively equips agents to correct erroneous actions while avoiding loops, achieving superior performance compared to baseline methods (+5.59%).

Training LLM-Based Agents with Synthetic Self-Reflected Trajectories and Partial Masking

Autonomous agents, which perceive environments and take actions to achieve goals, have become increasingly feasible with the advancements in large language models (LLMs). However, current powerful agents often depend on sophisticated prompt engineering combined with closed-source LLMs like GPT-4. Although training open-source LLMs using expert trajectories from teacher models has yielded some improvements in agent capabilities, this approach still faces limitations such as performance plateauing and error propagation. To mitigate these challenges, we propose STeP, a novel method for improving LLM-based agent training. We synthesize self-reflected trajectories that include reflections and corrections of error steps, which enhance the effectiveness of LLM agents in learning from teacher models, enabling them to become agents capable of self-reflecting and correcting. We also introduce partial masking strategy that prevents the LLM from internalizing incorrect or suboptimal steps. Experiments demonstrate that our method improves agent performance across three representative tasks: ALFWorld, WebShop, and SciWorld. For the open-source model LLaMA2-7B-Chat, when trained using self-reflected trajectories constructed with Qwen1.5-110B-Chat as the teacher model, it achieves comprehensive improvements with less training data compared to agents trained exclusively on expert trajectories.

Control of Medical Digital Twins with Artificial Neural Networks

The objective of personalized medicine is to tailor interventions to an individual patient's unique characteristics. A key technology for this purpose involves medical digital twins, computational models of human biology that can be personalized and dynamically updated to incorporate patient-specific data collected over time. Certain aspects of human biology, such as the immune system, are not easily captured with physics-based models, such as differential equations. Instead, they are often multi-scale, stochastic, and hybrid. This poses a challenge to existing model-based control and optimization approaches that cannot be readily applied to such models. Recent advances in automatic differentiation and neural-network control methods hold promise in addressing complex control problems. However, the application of these approaches to biomedical systems is still in its early stages. This work introduces dynamics-informed neural-network controllers as an alternative approach to control of medical digital twins. As a first use case for this method, the focus is on agent-based models, a versatile and increasingly common modeling platform in biomedicine. The effectiveness of the proposed neural-network control method is illustrated and benchmarked against other methods with two widely-used agent-based model types. The relevance of the method introduced here extends beyond medical digital twins to other complex dynamical systems.

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.

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

Recent advances in agent systems based on large language models (LLMs) have demonstrated strong capabilities in solving complex tasks. However, most current methods lack mechanisms for coordinating specialized agents and have limited ability to generalize to new or diverse domains. We introduce \projectname, a hierarchical multi-agent framework for general-purpose task solving that integrates high-level planning with modular agent collaboration. Inspired by the way a conductor orchestrates a symphony and guided by the principles of extensibility, multimodality, modularity, and coordination, \projectname 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 and analytical 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. \projectname supports flexible orchestration through explicit sub-goal formulation, inter-agent communication, and adaptive role allocation. We evaluate the framework on three widely used benchmark datasets covering various real-world tasks, searching web pages, reasoning over heterogeneous modalities, etc. Experimental results demonstrate that \projectname consistently outperforms flat-agent and monolithic baselines in task success rate and adaptability. These findings highlight the effectiveness of hierarchical organization and role specialization in building scalable and general-purpose LLM-based agent systems.

Put Your Money Where Your Mouth Is: Evaluating Strategic Planning and Execution of LLM Agents in an Auction Arena

Can Large Language Models (LLMs) simulate human behavior in complex environments? LLMs have recently been shown to exhibit advanced reasoning skills but much of NLP evaluation still relies on static benchmarks. Answering this requires evaluation environments that probe strategic reasoning in competitive, dynamic scenarios that involve long-term planning. We introduce AucArena, a novel simulation environment for evaluating LLMs within auctions, a setting chosen for being highly unpredictable and involving many skills related to resource and risk management, while also being easy to evaluate. We conduct several controlled simulations using state-of-the-art LLMs as bidding agents. We find that through simple prompting, LLMs do indeed demonstrate many of the skills needed for effectively engaging in auctions (e.g., managing budget, adhering to long-term goals and priorities), skills that we find can be sharpened by explicitly encouraging models to be adaptive and observe strategies in past auctions. These results are significant as they show the potential of using LLM agents to model intricate social dynamics, especially in competitive settings. However, we also observe considerable variability in the capabilities of individual LLMs. Notably, even our most advanced models (GPT-4) are occasionally surpassed by heuristic baselines and human agents, highlighting the potential for further improvements in the design of LLM agents and the important role that our simulation environment can play in further testing and refining agent architectures.

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

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

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.

Towards Robust Multi-Modal Reasoning via Model Selection

The reasoning capabilities of LLM (Large Language Model) are widely acknowledged in recent research, inspiring studies on tool learning and autonomous agents. LLM serves as the "brain" of the agent, orchestrating multiple tools for collaborative multi-step task solving. Unlike methods invoking tools like calculators or weather APIs for straightforward tasks, multi-modal agents excel by integrating diverse AI models for complex challenges. However, current multi-modal agents neglect the significance of model selection: they primarily focus on the planning and execution phases, and will only invoke predefined task-specific models for each subtask, making the execution fragile. Meanwhile, other traditional model selection methods are either incompatible with or suboptimal for the multi-modal agent scenarios, due to ignorance of dependencies among subtasks arising by multi-step reasoning. To this end, we identify the key challenges therein and propose the M^3 framework as a plug-in with negligible runtime overhead at test-time. This framework improves model selection and bolsters the robustness of multi-modal agents in multi-step reasoning. In the absence of suitable benchmarks, we create MS-GQA, a new dataset specifically designed to investigate the model selection challenge in multi-modal agents. Our experiments reveal that our framework enables dynamic model selection, considering both user inputs and subtask dependencies, thereby robustifying the overall reasoning process. Our code and benchmark: https://github.com/LINs-lab/M3.

Foundation Models for Decision Making: Problems, Methods, and Opportunities

Foundation models pretrained on diverse data at scale have demonstrated extraordinary capabilities in a wide range of vision and language tasks. When such models are deployed in real world environments, they inevitably interface with other entities and agents. For example, language models are often used to interact with human beings through dialogue, and visual perception models are used to autonomously navigate neighborhood streets. In response to these developments, new paradigms are emerging for training foundation models to interact with other agents and perform long-term reasoning. These paradigms leverage the existence of ever-larger datasets curated for multimodal, multitask, and generalist interaction. Research at the intersection of foundation models and decision making holds tremendous promise for creating powerful new systems that can interact effectively across a diverse range of applications such as dialogue, autonomous driving, healthcare, education, and robotics. In this manuscript, we examine the scope of foundation models for decision making, and provide conceptual tools and technical background for understanding the problem space and exploring new research directions. We review recent approaches that ground foundation models in practical decision making applications through a variety of methods such as prompting, conditional generative modeling, planning, optimal control, and reinforcement learning, and discuss common challenges and open problems in the field.

Executable Code Actions Elicit Better LLM Agents

Large Language Model (LLM) agents, capable of performing a broad range of actions, such as invoking tools and controlling robots, show great potential in tackling real-world challenges. LLM agents are typically prompted to produce actions by generating JSON or text in a pre-defined format, which is usually limited by constrained action space (e.g., the scope of pre-defined tools) and restricted flexibility (e.g., inability to compose multiple tools). This work proposes to use executable Python code to consolidate LLM agents' actions into a unified action space (CodeAct). Integrated with a Python interpreter, CodeAct can execute code actions and dynamically revise prior actions or emit new actions upon new observations through multi-turn interactions. Our extensive analysis of 17 LLMs on API-Bank and a newly curated benchmark shows that CodeAct outperforms widely used alternatives (up to 20% higher success rate). The encouraging performance of CodeAct motivates us to build an open-source LLM agent that interacts with environments by executing interpretable code and collaborates with users using natural language. To this end, we collect an instruction-tuning dataset CodeActInstruct that consists of 7k multi-turn interactions using CodeAct. We show that it can be used with existing data to improve models in agent-oriented tasks without compromising their general capability. CodeActAgent, finetuned from Llama2 and Mistral, is integrated with Python interpreter and uniquely tailored to perform sophisticated tasks (e.g., model training) using existing libraries and autonomously self-debug.

Disentangling Shape and Pose for Object-Centric Deep Active Inference Models

Active inference is a first principles approach for understanding the brain in particular, and sentient agents in general, with the single imperative of minimizing free energy. As such, it provides a computational account for modelling artificial intelligent agents, by defining the agent's generative model and inferring the model parameters, actions and hidden state beliefs. However, the exact specification of the generative model and the hidden state space structure is left to the experimenter, whose design choices influence the resulting behaviour of the agent. Recently, deep learning methods have been proposed to learn a hidden state space structure purely from data, alleviating the experimenter from this tedious design task, but resulting in an entangled, non-interpreteable state space. In this paper, we hypothesize that such a learnt, entangled state space does not necessarily yield the best model in terms of free energy, and that enforcing different factors in the state space can yield a lower model complexity. In particular, we consider the problem of 3D object representation, and focus on different instances of the ShapeNet dataset. We propose a model that factorizes object shape, pose and category, while still learning a representation for each factor using a deep neural network. We show that models, with best disentanglement properties, perform best when adopted by an active agent in reaching preferred observations.

From LLM Reasoning to Autonomous AI Agents: A Comprehensive Review

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