Daily Papers

We study reliability in autonomous language-model agents that translate user mandates into validated tool actions under real capital. The setting is DX Terminal Pro, a 21-day deployment in which 3,505 user-funded agents traded real ETH in a bounded onchain market. Users configured vaults through structured controls and natural-language strategies, but only agents could choose normal buy/sell trades. The system produced 7.5M agent invocations, roughly 300K onchain actions, about $20M in volume, more than 5,000 ETH deployed, roughly 70B inference tokens, and 99.9% settlement success for policy-valid submitted transactions. Long-running agents accumulated thousands of sequential decisions, including 6,000+ prompt-state-action cycles for continuously active agents, yielding a large-scale trace from user mandate to rendered prompt, reasoning, validation, portfolio state, and settlement. Reliability did not come from the base model alone; it emerged from the operating layer around the model: prompt compilation, typed controls, policy validation, execution guards, memory design, and trace-level observability. Pre-launch testing exposed failures that text-only benchmarks rarely measure, including fabricated trading rules, fee paralysis, numeric anchoring, cadence trading, and misread tokenomics. Targeted harness changes reduced fabricated sell rules from 57% to 3%, reduced fee-led observations from 32.5% to below 10%, and increased capital deployment from 42.9% to 78.0% in an affected test population. We show that capital-managing agents should be evaluated across the full path from user mandate to prompt, validated action, and settlement.

Monitoring autonomous language model agents currently relies mostly on surface behavior. But what happens when agent populations invent new languages with the goal of avoiding human oversight. Here, we study the emergent languages on Moltbook. For this, we build upon the Moltbook Files dataset and apply a two-stage approach consisting of a rule-based heuristic (about 6000 matches) followed by zero-shot classification (518 kept). The resulting categories include token efficiency (166), new natural languages (106), and oversight evasion (59). We conduct both quantitative and qualitative analyses. Our results show that posts proposing new languages for avoiding oversight are judged by DeepSeek-3.2 as being less aligned than the other categories and that all languages can be learned by other language models in-context merely from a description of the language. Moreover, manually studying exemplary cases reveals surprisingly sophisticated steganographic protocols like embedding hidden messages in natural language. Although we cannot be certain about the extent of autonomy in ideation of these languages, our results add up to the evidence that monitoring surface behavior may soon be insufficient for retaining control over agent populations.

Governments are increasingly considering integrating autonomous AI agents in high-stakes military and foreign-policy decision-making, especially with the emergence of advanced generative AI models like GPT-4. Our work aims to scrutinize the behavior of multiple AI agents in simulated wargames, specifically focusing on their predilection to take escalatory actions that may exacerbate multilateral conflicts. Drawing on political science and international relations literature about escalation dynamics, we design a novel wargame simulation and scoring framework to assess the escalation risks of actions taken by these agents in different scenarios. Contrary to prior studies, our research provides both qualitative and quantitative insights and focuses on large language models (LLMs). We find that all five studied off-the-shelf LLMs show forms of escalation and difficult-to-predict escalation patterns. We observe that models tend to develop arms-race dynamics, leading to greater conflict, and in rare cases, even to the deployment of nuclear weapons. Qualitatively, we also collect the models' reported reasonings for chosen actions and observe worrying justifications based on deterrence and first-strike tactics. Given the high stakes of military and foreign-policy contexts, we recommend further examination and cautious consideration before deploying autonomous language model agents for strategic military or diplomatic decision-making.

Autonomous language-model agents increasingly rely on installable skills and tools to complete user tasks. Static skill auditing can expose capability surface before deployment, but it cannot determine whether a particular invocation is unsafe under the current user request and runtime context. We therefore study skill invocation auditing as a continuous-risk estimation problem: given a user request, candidate skill, and runtime context, predict a score that supports ranking and triage before a hard intervention is applied. We introduce STARS, which combines a static capability prior, a request-conditioned invocation risk model, and a calibrated risk-fusion policy. To evaluate this setting, we construct SIA-Bench, a benchmark of 3,000 invocation records with group-safe splits, lineage metadata, runtime context, canonical action labels, and derived continuous-risk targets. On a held-out split of indirect prompt injection attacks, calibrated fusion reaches 0.439 high-risk AUPRC, improving over 0.405 for the contextual scorer and 0.380 for the strongest static baseline, while the contextual scorer remains better calibrated with 0.289 expected calibration error. On the locked in-distribution test split, gains are smaller and static priors remain useful. The resulting claim is therefore narrower: request-conditioned auditing is most valuable as an invocation-time risk-scoring and triage layer rather than as a replacement for static screening. Code is available at https://github.com/123zgj123/STARS.

We report an exploratory red-teaming study of autonomous language-model-powered agents deployed in a live laboratory environment with persistent memory, email accounts, Discord access, file systems, and shell execution. Over a two-week period, twenty AI researchers interacted with the agents under benign and adversarial conditions. Focusing on failures emerging from the integration of language models with autonomy, tool use, and multi-party communication, we document eleven representative case studies. Observed behaviors include unauthorized compliance with non-owners, disclosure of sensitive information, execution of destructive system-level actions, denial-of-service conditions, uncontrolled resource consumption, identity spoofing vulnerabilities, cross-agent propagation of unsafe practices, and partial system takeover. In several cases, agents reported task completion while the underlying system state contradicted those reports. We also report on some of the failed attempts. Our findings establish the existence of security-, privacy-, and governance-relevant vulnerabilities in realistic deployment settings. These behaviors raise unresolved questions regarding accountability, delegated authority, and responsibility for downstream harms, and warrant urgent attention from legal scholars, policymakers, and researchers across disciplines. This report serves as an initial empirical contribution to that broader conversation.

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

Autonomous Large Language Model (LLM) agents, exemplified by OpenClaw, demonstrate remarkable capabilities in executing complex, long-horizon tasks. However, their tightly coupled instant-messaging interaction paradigm and high-privilege execution capabilities substantially expand the system attack surface. In this paper, we present a comprehensive security threat analysis of OpenClaw. To structure our analysis, we introduce a five-layer lifecycle-oriented security framework that captures key stages of agent operation, i.e., initialization, input, inference, decision, and execution, and systematically examine compound threats across the agent's operational lifecycle, including indirect prompt injection, skill supply chain contamination, memory poisoning, and intent drift. Through detailed case studies on OpenClaw, we demonstrate the prevalence and severity of these threats and analyze the limitations of existing defenses. Our findings reveal critical weaknesses in current point-based defense mechanisms when addressing cross-temporal and multi-stage systemic risks, highlighting the need for holistic security architectures for autonomous LLM agents. Within this framework, we further examine representative defense strategies at each lifecycle stage, including plugin vetting frameworks, context-aware instruction filtering, memory integrity validation protocols, intent verification mechanisms, and capability enforcement architectures.

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

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

A prerequisite for safe autonomy-in-the-wild is safe testing-in-the-wild. Yet real-world autonomous tests face several unique safety challenges, both due to the possibility of causing harm during a test, as well as the risk of encountering new unsafe agent behavior through interactions with real-world and potentially malicious actors. We propose a framework for conducting safe autonomous agent tests on the open internet: agent actions are audited by a context-sensitive monitor that enforces a stringent safety boundary to stop an unsafe test, with suspect behavior ranked and logged to be examined by humans. We a design a basic safety monitor that is flexible enough to monitor existing LLM agents, and, using an adversarial simulated agent, we measure its ability to identify and stop unsafe situations. Then we apply the safety monitor on a battery of real-world tests of AutoGPT, and we identify several limitations and challenges that will face the creation of safe in-the-wild tests as autonomous agents grow more capable.

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

We introduce ResearchGym, a benchmark and execution environment for evaluating AI agents on end-to-end research. To instantiate this, we repurpose five oral and spotlight papers from ICML, ICLR, and ACL. From each paper's repository, we preserve the datasets, evaluation harness, and baseline implementations but withhold the paper's proposed method. This results in five containerized task environments comprising 39 sub-tasks in total. Within each environment, agents must propose novel hypotheses, run experiments, and attempt to surpass strong human baselines on the paper's metrics. In a controlled evaluation of an agent powered by GPT-5, we observe a sharp capability--reliability gap. The agent improves over the provided baselines from the repository in just 1 of 15 evaluations (6.7%) by 11.5%, and completes only 26.5% of sub-tasks on average. We identify recurring long-horizon failure modes, including impatience, poor time and resource management, overconfidence in weak hypotheses, difficulty coordinating parallel experiments, and hard limits from context length. Yet in a single run, the agent surpasses the solution of an ICML 2025 Spotlight task, indicating that frontier agents can occasionally reach state-of-the-art performance, but do so unreliably. We additionally evaluate proprietary agent scaffolds including Claude Code (Opus-4.5) and Codex (GPT-5.2) which display a similar gap. ResearchGym provides infrastructure for systematic evaluation and analysis of autonomous agents on closed-loop research.

The development of autonomous agents increasingly relies on Multimodal Language Models (MLMs) to perform tasks described in natural language with GUI environments, such as websites, desktop computers, or mobile phones. Existing benchmarks for MLM agents in interactive environments are limited by their focus on a single environment, lack of detailed and generalized evaluation methods, and the complexities of constructing tasks and evaluators. To overcome these limitations, we introduce Crab, the first agent benchmark framework designed to support cross-environment tasks, incorporating a graph-based fine-grained evaluation method and an efficient mechanism for task and evaluator construction. Our framework supports multiple devices and can be easily extended to any environment with a Python interface. Leveraging Crab, we developed a cross-platform Crab Benchmark-v0 comprising 100 tasks in computer desktop and mobile phone environments. We evaluated four advanced MLMs using different single and multi-agent system configurations on this benchmark. The experimental results demonstrate that the single agent with GPT-4o achieves the best completion ratio of 35.26%. All framework code, agent code, and task datasets are publicly available at https://github.com/camel-ai/crab.

Large language models (LLMs) are increasingly used as autonomous agents in strategic and social interactions. Although recent studies suggest that assigning personality traits to LLMs can influence their behavior, how personality steering affects cooperation under controlled conditions remains unclear. In this study, we examine the effects of personality steering on cooperative behavior in LLM agents using repeated Prisoner's Dilemma games. Based on the Big Five framework, we first measure basic personality scores of three models, GPT-3.5-turbo, GPT-4o, and GPT-5, using the Big Five Inventory. We then compare behavior under baseline and personality-informed conditions, and further analyze the effects of independently manipulating each personality dimension to extreme values. Our results show that agreeableness is the dominant factor promoting cooperation across all models, while other personality traits have limited impact. Explicit personality information increases cooperation but can also raise vulnerability to exploitation, particularly in earlier-generation models. In contrast, later-generation models exhibit more selective cooperation. These findings indicate that personality steering acts as a behavioral bias rather than a deterministic control mechanism.

Large Language Model agents excel at solving complex tasks through iterative reasoning and tool use, but typically depend on ultra-large, costly backbones. Existing distillation approaches train smaller students to imitate full teacher trajectories, yet reasoning and knowledge gaps between the teacher and student often lead to compounding errors. We propose SCoRe, a student-centered framework in which the student generates trajectories and the teacher intervenes only at the first critical error, producing training data matched to the student's ability and exposing specific weaknesses. The student is first fine-tuned on corrected trajectories. Subsequently, short-horizon reinforcement learning starts from the verified prefix before the first critical error, with target rewards assigned at that step. This design encourages autonomous problem-solving beyond imitation and improves training stability. Particularly, on 12 challenging benchmarks, a 7B-parameter student distilled with SCoRe matches the agentic performance of a 72B-parameter teacher.

We present a multi-agent system for automation of scientific research tasks, cmbagent (https://github.com/CMBAgents/cmbagent). The system is formed by about 30 Large Language Model (LLM) agents and implements a Planning & Control strategy to orchestrate the agentic workflow, with no human-in-the-loop at any point. Each agent specializes in a different task (performing retrieval on scientific papers and codebases, writing code, interpreting results, critiquing the output of other agents) and the system is able to execute code locally. We successfully apply cmbagent to carry out a PhD level cosmology task (the measurement of cosmological parameters using supernova data) and evaluate its performance on two benchmark sets, finding superior performance over state-of-the-art LLMs. The source code is available on GitHub, demonstration videos are also available, and the system is deployed on HuggingFace and will be available on the cloud.

Artificial Intelligence is moving from models that only generate text to Agentic AI, where systems behave as autonomous entities that can perceive, reason, plan, and act. Large Language Models (LLMs) are no longer used only as passive knowledge engines but as cognitive controllers that combine memory, tool use, and feedback from their environment to pursue extended goals. This shift already supports the automation of complex workflows in software engineering, scientific discovery, and web navigation, yet the variety of emerging designs, from simple single loop agents to hierarchical multi agent systems, makes the landscape hard to navigate. In this paper, we investigate architectures and propose a unified taxonomy that breaks agents into Perception, Brain, Planning, Action, Tool Use, and Collaboration. We use this lens to describe the move from linear reasoning procedures to native inference time reasoning models, and the transition from fixed API calls to open standards like the Model Context Protocol (MCP) and Native Computer Use. We also group the environments in which these agents operate, including digital operating systems, embodied robotics, and other specialized domains, and we review current evaluation practices. Finally, we highlight open challenges, such as hallucination in action, infinite loops, and prompt injection, and outline future research directions toward more robust and reliable autonomous systems.

Building Large Language Model agents that expand their capabilities by interacting with external tools represents a new frontier in AI research and applications. In this paper, we introduce InfoAgent, a deep research agent powered by an innovative data synthesis pipeline and orchestrated web search tools. To construct challenging, hard-to-find queries,we build entity trees and apply sub-tree sampling with entity fuzzification to systematically increase question difficulty. Unlike prior work that relies heavily on commercial search tools, we develop a dedicated self-hosted search infrastructure, enhancing transparency of agent environments and facilitating further advancement of agent capacity. We evaluate the effectiveness of our data pipeline by measuring the average number of tool calls required to correctly answer a question, and also show that our agent yields better performance when equipped with our tools. Our InfoAgent is post-trained from Qwen3-14B using a two-stage recipe: cold-start supervised finetuning to instill long-horizon search behaviors, followed by reinforcement learning which significantly improves reasoning-driven tool use. With our methods, InfoAgent achieves 15.3\% accuracy on BrowseComp, 29.2\% on BrowseComp-ZH, and 40.4\% on Xbench-DS, outperforming prior open-source deep research agents such as WebSailor-72B and DeepDive-32B.

Large language model (LLM) agents increasingly operate in settings where a single context window is far too small to capture what has happened, what was learned, and what should not be repeated. Memory -- the ability to persist, organize, and selectively recall information across interactions -- is what turns a stateless text generator into a genuinely adaptive agent. This survey offers a structured account of how memory is designed, implemented, and evaluated in modern LLM-based agents, covering work from 2022 through early 2026. We formalize agent memory as a write--manage--read loop tightly coupled with perception and action, then introduce a three-dimensional taxonomy spanning temporal scope, representational substrate, and control policy. Five mechanism families are examined in depth: context-resident compression, retrieval-augmented stores, reflective self-improvement, hierarchical virtual context, and policy-learned management. On the evaluation side, we trace the shift from static recall benchmarks to multi-session agentic tests that interleave memory with decision-making, analyzing four recent benchmarks that expose stubborn gaps in current systems. We also survey applications where memory is the differentiating factor -- personal assistants, coding agents, open-world games, scientific reasoning, and multi-agent teamwork -- and address the engineering realities of write-path filtering, contradiction handling, latency budgets, and privacy governance. The paper closes with open challenges: continual consolidation, causally grounded retrieval, trustworthy reflection, learned forgetting, and multimodal embodied memory.

For decades, human-computer interaction has fundamentally been manual. Even today, almost all productive work done on the computer necessitates human input at every step. Autonomous virtual agents represent an exciting step in automating many of these menial tasks. Virtual agents would empower users with limited technical proficiency to harness the full possibilities of computer systems. They could also enable the efficient streamlining of numerous computer tasks, ranging from calendar management to complex travel bookings, with minimal human intervention. In this paper, we introduce OmniACT, the first-of-a-kind dataset and benchmark for assessing an agent's capability to generate executable programs to accomplish computer tasks. Our scope extends beyond traditional web automation, covering a diverse range of desktop applications. The dataset consists of fundamental tasks such as "Play the next song", as well as longer horizon tasks such as "Send an email to John Doe mentioning the time and place to meet". Specifically, given a pair of screen image and a visually-grounded natural language task, the goal is to generate a script capable of fully executing the task. We run several strong baseline language model agents on our benchmark. The strongest baseline, GPT-4, performs the best on our benchmark However, its performance level still reaches only 15% of the human proficiency in generating executable scripts capable of completing the task, demonstrating the challenge of our task for conventional web agents. Our benchmark provides a platform to measure and evaluate the progress of language model agents in automating computer tasks and motivates future work towards building multimodal models that bridge large language models and the visual grounding of computer screens.

Large Language Model agents have rapidly evolved from static text generators into dynamic systems capable of executing complex autonomous workflows. To enhance reliability, multi-agent frameworks assigning specialized roles are increasingly adopted to enable self-reflection and mutual auditing. While such role-playing effectively leverages domain expert knowledge, we find it simultaneously induces a human-like cognitive bias known as Actor-Observer Asymmetry (AOA). Specifically, an agent acting as an actor (during self-reflection) tends to attribute failures to external factors, whereas an observer (during mutual auditing) attributes the same errors to internal faults. We quantify this using our new Ambiguous Failure Benchmark, which reveals that simply swapping perspectives triggers the AOA effect in over 20% of cases for most models. To tame this bias, we introduce ReTAS (Reasoning via Thesis-Antithesis-Synthesis), a model trained through dialectical alignment to enforce perspective-invariant reasoning. By integrating dialectical chain-of-thought with Group Relative Policy Optimization, ReTAS guides agents to synthesize conflicting viewpoints into an objective consensus. Experiments demonstrate that ReTAS effectively mitigates attribution inconsistency and significantly improves fault resolution rates in ambiguous scenarios.

In open-ended environments, exploration is fundamental for autonomous agents, yet current language model agents struggle with this. Effective exploration requires memory, but retaining raw interaction histories is computationally expensive over long trajectories. While latent memory offers a solution to compress interaction histories, its training lacks reliable supervisory signals. We introduce Joint Agent Memory and Exploration Learning (JAMEL), a framework that trains agentic memory and exploration policy together through novelty-driven interaction. We observe that memory and exploration form a mutually dependent loop: sustained exploration requires memory to distinguish exhausted behaviors from unseen ones, while novelty-seeking interaction provides the supervision needed to make memory useful for future exploration. By utilizing deterministic and persistent novelty signals such as code coverage in the GUI domain, we provide natural, annotation-free supervision for the memory module. Empirical evaluations demonstrate that \ours successfully generalizes to unseen environments. Its exploration capability outperforms open-weight baselines and rivals the exploration depth of a closed-source model while reducing token consumption. Our code and model are open-sourced at https://github.com/MobileLLM/JAMEL.

State-of-the-art (SOTA) reinforcement learning (RL) methods enable the vision-language agents to learn from interactions with the environment without human supervision. However, they struggle with learning inefficiencies in tackling real-world complex sequential decision-making tasks, especially with sparse reward signals and long-horizon dependencies. To effectively address the issue, we introduce Variational Subgoal-Conditioned RL (VSC-RL), which reformulates the vision-language sequential decision-making task as a variational goal-conditioned RL problem, allowing us to leverage advanced optimization methods to enhance learning efficiency. Specifically, VSC-RL optimizes the SubGoal Evidence Lower BOund (SGC-ELBO), which consists of (a) maximizing the subgoal-conditioned return via RL and (b) minimizing the subgoal-conditioned difference with the reference policy. We theoretically demonstrate that SGC-ELBO is equivalent to the original optimization objective, ensuring improved learning efficiency without sacrificing performance guarantees. Additionally, for real-world complex decision-making tasks, VSC-RL leverages the vision-language model to autonomously decompose the goal into feasible subgoals, enabling efficient learning. Across various benchmarks, including challenging real-world mobile device control tasks, VSC-RL significantly outperforms the SOTA vision-language agents, achieving superior performance and remarkable improvement in learning efficiency.

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.

Machine learning research, crucial for technological advancements and innovation, often faces significant challenges due to its inherent complexity, slow pace of experimentation, and the necessity for specialized expertise. Motivated by this, we present a new systematic framework, autonomous Machine Learning Research with large language models (MLR-Copilot), designed to enhance machine learning research productivity through the automatic generation and implementation of research ideas using Large Language Model (LLM) agents. The framework consists of three phases: research idea generation, experiment implementation, and implementation execution. First, existing research papers are used to generate hypotheses and experimental plans vis IdeaAgent powered by LLMs. Next, the implementation generation phase translates these plans into executables with ExperimentAgent. This phase leverages retrieved prototype code and optionally retrieves candidate models and data. Finally, the execution phase, also managed by ExperimentAgent, involves running experiments with mechanisms for human feedback and iterative debugging to enhance the likelihood of achieving executable research outcomes. We evaluate our framework on five machine learning research tasks and the experimental results show the framework's potential to facilitate the research progress and innovations.

Large language model (LLM) agents have evolved to intelligently process information, make decisions, and interact with users or tools. A key capability is the integration of long-term memory capabilities, enabling these agents to draw upon historical interactions and knowledge. However, the growing memory size and need for semantic structuring pose significant challenges. In this work, we propose an autonomous memory augmentation approach, MemInsight, to enhance semantic data representation and retrieval mechanisms. By leveraging autonomous augmentation to historical interactions, LLM agents are shown to deliver more accurate and contextualized responses. We empirically validate the efficacy of our proposed approach in three task scenarios; conversational recommendation, question answering and event summarization. On the LLM-REDIAL dataset, MemInsight boosts persuasiveness of recommendations by up to 14%. Moreover, it outperforms a RAG baseline by 34% in recall for LoCoMo retrieval. Our empirical results show the potential of MemInsight to enhance the contextual performance of LLM agents across multiple tasks.

Large language model based agents often fail in unfamiliar environments due to premature exploitation: a tendency to act on prior knowledge before acquiring sufficient environment-specific information. We identify autonomous exploration as a critical yet underexplored capability for building adaptive agents. To formalize and quantify this capability, we introduce Exploration Checkpoint Coverage, a verifiable metric that measures how broadly an agent discovers key states, objects, and affordances. Our systematic evaluation reveals that agents trained with standard task-oriented reinforcement learning consistently exhibit narrow and repetitive behaviors that impede downstream performance. To address this limitation, we develop a training strategy that interleaves task-execution rollouts and exploration rollouts, with each type of rollout optimized by its corresponding verifiable reward. Building on this training strategy, we propose the Explore-then-Act paradigm, which decouples information-gathering from task execution: agents first utilize an interaction budget to acquire grounded environmental knowledge, then leverage it for task resolution. Our results demonstrate that learning to systematically explore is imperative for building generalizable and real-world-ready agents.

Large Language Model (LLM) agents struggle with long-horizon software engineering tasks due to "Context Bloat." As interaction history grows, computational costs explode, latency increases, and reasoning capabilities degrade due to distraction by irrelevant past errors. Existing solutions often rely on passive, external summarization mechanisms that the agent cannot control. This paper proposes Focus, an agent-centric architecture inspired by the biological exploration strategies of Physarum polycephalum (slime mold). The Focus Agent autonomously decides when to consolidate key learnings into a persistent "Knowledge" block and actively withdraws (prunes) the raw interaction history. Using an optimized scaffold matching industry best practices (persistent bash + string-replacement editor), we evaluated Focus on N=5 context-intensive instances from SWE-bench Lite using Claude Haiku 4.5. With aggressive prompting that encourages frequent compression, Focus achieves 22.7% token reduction (14.9M -> 11.5M tokens) while maintaining identical accuracy (3/5 = 60% for both agents). Focus performed 6.0 autonomous compressions per task on average, with token savings up to 57% on individual instances. We demonstrate that capable models can autonomously self-regulate their context when given appropriate tools and prompting, opening pathways for cost-aware agentic systems without sacrificing task performance.

Recent advances in language model (LM) agents and function calling have enabled autonomous, feedback-driven systems to solve problems across various digital domains. To better understand the unique limitations of LM agents, we introduce RefactorBench, a benchmark consisting of 100 large handcrafted multi-file refactoring tasks in popular open-source repositories. Solving tasks within RefactorBench requires thorough exploration of dependencies across multiple files and strong adherence to relevant instructions. Every task is defined by 3 natural language instructions of varying specificity and is mutually exclusive, allowing for the creation of longer combined tasks on the same repository. Baselines on RefactorBench reveal that current LM agents struggle with simple compositional tasks, solving only 22% of tasks with base instructions, in contrast to a human developer with short time constraints solving 87%. Through trajectory analysis, we identify various unique failure modes of LM agents, and further explore the failure mode of tracking past actions. By adapting a baseline agent to condition on representations of state, we achieve a 43.9% improvement in solving RefactorBench tasks. We further extend our state-aware approach to encompass entire digital environments and outline potential directions for future research. RefactorBench aims to support the study of LM agents by providing a set of real-world, multi-hop tasks within the realm of code.

Large language model (LLM) agents have demonstrated remarkable capabilities in tool use, reasoning, and code generation, yet single-agent systems exhibit fundamental limitations when confronted with complex research tasks demanding multi-source synthesis, adversarial verification, and personalized delivery. We present DOVA (Deep Orchestrated Versatile Agent), a multi-agent platform introducing three key innovations: (1) deliberation-first orchestration, where explicit meta-reasoning precedes tool invocation, informed by a persistent user model and entity-aware conversation context; (2) hybrid collaborative reasoning, a composable three-phase pipeline unifying ensemble diversity, blackboard transparency, and iterative refinement; and (3) adaptive multi-tiered thinking, a six-level token-budget allocation scheme that reduces inference cost by 40-60% on simple tasks while preserving deep reasoning capacity. We formalize the core algorithms, present an architectural ablation study across seven system configurations, and analyze the contribution of each component to answer confidence, source coverage, and token efficiency.

Large Language Model (LLM) agents are autonomous systems powered by LLMs, capable of reasoning and planning to solve problems by leveraging a set of tools. However, the integration of multi-tool capabilities in LLM agents introduces challenges in securely managing tools, ensuring their compatibility, handling dependency relationships, and protecting control flows within LLM agent workflows. In this paper, we present the first systematic security analysis of task control flows in multi-tool-enabled LLM agents. We identify a novel threat, Cross-Tool Harvesting and Polluting (XTHP), which includes multiple attack vectors to first hijack the normal control flows of agent tasks, and then collect and pollute confidential or private information within LLM agent systems. To understand the impact of this threat, we developed Chord, a dynamic scanning tool designed to automatically detect real-world agent tools susceptible to XTHP attacks. Our evaluation of 66 real-world tools from the repositories of two major LLM agent development frameworks, LangChain and LlamaIndex, revealed a significant security concern: 75\% are vulnerable to XTHP attacks, highlighting the prevalence of this threat.

Large language model (LLM) agents offer a promising data-driven approach to automating Site Reliability Engineering (SRE), yet their enterprise deployment is constrained by three challenges: restricted access to proprietary data, unsafe action execution under permission-governed environments, and the inability of closed systems to improve from failures. We present AOI (Autonomous Operations Intelligence), a trainable multi-agent framework formulating automated operations as a structured trajectory learning problem under security constraints. Our approach integrates three key components. First, a trainable diagnostic system applies Group Relative Policy Optimization (GRPO) to distill expert-level knowledge into locally deployed open-source models, enabling preference-based learning without exposing sensitive data. Second, a read-write separated execution architecture decomposes operational trajectories into observation, reasoning, and action phases, allowing safe learning while preventing unauthorized state mutation. Third, a Failure Trajectory Closed-Loop Evolver mines unsuccessful trajectories and converts them into corrective supervision signals, enabling continual data augmentation. Evaluated on the AIOpsLab benchmark, our contributions yield cumulative gains. (1) The AOI runtime alone achieves 66.3% best@5 success on all 86 tasks, outperforming the prior state-of-the-art (41.9%) by 24.4 points. (2) Adding Observer GRPO training, a locally deployed 14B model reaches 42.9% avg@1 on 63 held-out tasks with unseen fault types, surpassing Claude Sonnet 4.5. (3) The Evolver converts 37 failed trajectories into diagnostic guidance, improving end-to-end avg@5 by 4.8 points while reducing variance by 35%.

In this work, from a theoretical lens, we aim to understand why large language model (LLM) empowered agents are able to solve decision-making problems in the physical world. To this end, consider a hierarchical reinforcement learning (RL) model where the LLM Planner and the Actor perform high-level task planning and low-level execution, respectively. Under this model, the LLM Planner navigates a partially observable Markov decision process (POMDP) by iteratively generating language-based subgoals via prompting. Under proper assumptions on the pretraining data, we prove that the pretrained LLM Planner effectively performs Bayesian aggregated imitation learning (BAIL) through in-context learning. Additionally, we highlight the necessity for exploration beyond the subgoals derived from BAIL by proving that naively executing the subgoals returned by LLM leads to a linear regret. As a remedy, we introduce an ε-greedy exploration strategy to BAIL, which is proven to incur sublinear regret when the pretraining error is small. Finally, we extend our theoretical framework to include scenarios where the LLM Planner serves as a world model for inferring the transition model of the environment and to multi-agent settings, enabling coordination among multiple Actors.

Large language model (LLM) agents excel at solving complex long-horizon tasks through autonomous interaction with environments. However, their real-world deployment faces a fundamental device--cloud dilemma: on-device models are efficient but often brittle, while cloud models are stronger but costly in computation. State-of-the-art LLM device--cloud routers usually make coarse task-level decisions, which cannot adapt to the changing difficulty of multi-step agent interactions. To address this issue, we present Hera, a step-level device--cloud LLM agent coordinator for long-horizon tasks achieving a strong performance--cost Pareto frontier. Hera adopts a novel two-stage training paradigm: (1) imitation learning for cold-start, followed by (2) reinforcement learning that jointly optimizes task success and cloud usage efficiency. The first stage casts step-level routing as a supervised classification problem: the device agent is replayed on cloud trajectories, with each state labeled by the agreement between device and cloud actions. In the second stage, we perform cost-aware reinforcement learning by grouping identical states across trajectories and updating Hera with labels favoring higher expected return and fewer future cloud calls. We evaluate Hera on ALFWorld, WebShop, and AppWorld, where it consistently outperforms prior methods, achieving 92.5% of the cloud-only success rate with cloud use in only 46.3% of steps.

Large language model-based agents are rapidly evolving from simple conversational assistants into autonomous systems capable of performing complex, professional-level tasks in various domains. While these advancements promise significant productivity gains, they also introduce critical safety risks that remain under-explored. Existing safety evaluations primarily focus on simple, daily assistance tasks, failing to capture the intricate decision-making processes and potential consequences of misaligned behaviors in professional settings. To address this gap, we introduce SafePro, a comprehensive benchmark designed to evaluate the safety alignment of AI agents performing professional activities. SafePro features a dataset of high-complexity tasks across diverse professional domains with safety risks, developed through a rigorous iterative creation and review process. Our evaluation of state-of-the-art AI models reveals significant safety vulnerabilities and uncovers new unsafe behaviors in professional contexts. We further show that these models exhibit both insufficient safety judgment and weak safety alignment when executing complex professional tasks. In addition, we investigate safety mitigation strategies for improving agent safety in these scenarios and observe encouraging improvements. Together, our findings highlight the urgent need for robust safety mechanisms tailored to the next generation of professional AI agents.

As Large Language Model (LLM) agents are increasingly tasked with high-stakes autonomous decision-making, the transparency of their reasoning processes has become a critical safety concern. While Chain-of-Thought (CoT) prompting allows agents to generate human-readable reasoning traces, it remains unclear whether these traces are faithful generative drivers of the model's output or merely post-hoc rationalizations. We introduce Project Ariadne, a novel XAI framework that utilizes Structural Causal Models (SCMs) and counterfactual logic to audit the causal integrity of agentic reasoning. Unlike existing interpretability methods that rely on surface-level textual similarity, Project Ariadne performs hard interventions (do-calculus) on intermediate reasoning nodes -- systematically inverting logic, negating premises, and reversing factual claims -- to measure the Causal Sensitivity (φ) of the terminal answer. Our empirical evaluation of state-of-the-art models reveals a persistent Faithfulness Gap. We define and detect a widespread failure mode termed Causal Decoupling, where agents exhibit a violation density (ρ) of up to 0.77 in factual and scientific domains. In these instances, agents arrive at identical conclusions despite contradictory internal logic, proving that their reasoning traces function as "Reasoning Theater" while decision-making is governed by latent parametric priors. Our findings suggest that current agentic architectures are inherently prone to unfaithful explanation, and we propose the Ariadne Score as a new benchmark for aligning stated logic with model action.

We present Deep Researcher Agent, an open-source framework that enables large language model (LLM) agents to autonomously conduct deep learning experiments around the clock. Unlike existing AI research assistants that focus on paper writing or code generation, our system addresses the full experiment lifecycle: hypothesis formation, code implementation, training execution, result analysis, and iterative refinement. The framework introduces three key innovations: (1) Zero-Cost Monitoring -- a monitoring paradigm that incurs zero LLM API costs during model training by relying solely on process-level checks and log file reads; (2) Two-Tier Constant-Size Memory -- a memory architecture capped at sim5K characters regardless of runtime duration, preventing the unbounded context growth that plagues long-running agents; and (3) Minimal-Toolset Leader-Worker Architecture -- a multi-agent design where each worker agent is equipped with only 3--5 tools, reducing per-call token overhead by up to 73\%. In sustained deployments spanning 30+ days, the framework autonomously completed 500+ experiment cycles across four concurrent research projects, achieving a 52\% improvement over baseline metrics in one project through 200+ automated experiments -- all at an average LLM cost of \$0.08 per 24-hour cycle. Code is available at https://github.com/Xiangyue-Zhang/auto-deep-researcher-24x7.

Large Language Model (LLM) agents have shown significant autonomous capabilities in dynamically searching and incorporating relevant tools or Model Context Protocol (MCP) servers for individual queries. However, fixed context windows limit effectiveness in multi-turn interactions requiring repeated, independent tool usage. We introduce MemTool, a short-term memory framework enabling LLM agents to dynamically manage tools or MCP server contexts across multi-turn conversations. MemTool offers three agentic architectures: 1) Autonomous Agent Mode, granting full tool management autonomy, 2) Workflow Mode, providing deterministic control without autonomy, and 3) Hybrid Mode, combining autonomous and deterministic control. Evaluating each MemTool mode across 13+ LLMs on the ScaleMCP benchmark, we conducted experiments over 100 consecutive user interactions, measuring tool removal ratios (short-term memory efficiency) and task completion accuracy. In Autonomous Agent Mode, reasoning LLMs achieve high tool-removal efficiency (90-94% over a 3-window average), while medium-sized models exhibit significantly lower efficiency (0-60%). Workflow and Hybrid modes consistently manage tool removal effectively, whereas Autonomous and Hybrid modes excel at task completion. We present trade-offs and recommendations for each MemTool mode based on task accuracy, agency, and model capabilities.

Large Language Model (LLM) agents use memory to learn from past interactions, enabling autonomous planning and decision-making in complex environments. However, this reliance on memory introduces a critical security risk: an adversary can inject seemingly harmless records into an agent's memory to manipulate its future behavior. This vulnerability is characterized by two core aspects: First, the malicious effect of injected records is only activated within a specific context, making them hard to detect when individual memory entries are audited in isolation. Second, once triggered, the manipulation can initiate a self-reinforcing error cycle: the corrupted outcome is stored as precedent, which not only amplifies the initial error but also progressively lowers the threshold for similar attacks in the future. To address these challenges, we introduce A-MemGuard (Agent-Memory Guard), the first proactive defense framework for LLM agent memory. The core idea of our work is the insight that memory itself must become both self-checking and self-correcting. Without modifying the agent's core architecture, A-MemGuard combines two mechanisms: (1) consensus-based validation, which detects anomalies by comparing reasoning paths derived from multiple related memories and (2) a dual-memory structure, where detected failures are distilled into ``lessons'' stored separately and consulted before future actions, breaking error cycles and enabling adaptation. Comprehensive evaluations on multiple benchmarks show that A-MemGuard effectively cuts attack success rates by over 95% while incurring a minimal utility cost. This work shifts LLM memory security from static filtering to a proactive, experience-driven model where defenses strengthen over time. Our code is available in https://github.com/TangciuYueng/AMemGuard

As Large Language Model (LLM) agents increasingly execute complex, autonomous software engineering tasks, developers rely on natural language instruction files such as AGENTS.md to express project-specific coding conventions, tooling restrictions, and architectural boundaries. However, because these instructions remain passive text, agents frequently violate documented constraints due to context window saturation or conflicting local context. In autonomous settings without real-time human supervision, such violations rapidly compound into technical debt. To ground autonomous agents in repository constraints, we introduce ContextCov, a framework that transforms passive natural language instructions into executable guardrails. Unlike prompt-only or reflection-only compliance approaches, ContextCov compiles documented constraints into three complementary checks: static AST queries for code patterns, runtime shell shims that intercept prohibited commands, and architectural validators that enforce structural rules. Acting as an automated, continuous reviewer, ContextCov intercepts agent actions and returns immediate, reproducible violation traces, enabling self-correction before non-compliant changes are finalized. We evaluate ContextCov on SWE-bench Lite (12 repositories, 300 tasks). Compared to prompt-only and LLM reflection baselines, ContextCov achieves 88.3% constraint compliance (vs. 67.0% and 50.3%) with 3.4x lower feedback cost, while maintaining functional correctness. The source code and evaluation results are available at https://github.com/reSHARMA/ContextCov.

Recent developments in Large Language Model (LLM) agents are revolutionizing Autonomous Software Engineering (ASE), enabling automated coding, problem fixes, and feature improvements. However, localization -- precisely identifying software problems by navigating to relevant code sections -- remains a significant challenge. Current approaches often yield suboptimal results due to a lack of effective integration between LLM agents and precise code search mechanisms. This paper introduces OrcaLoca, an LLM agent framework that improves accuracy for software issue localization by integrating priority-based scheduling for LLM-guided action, action decomposition with relevance scoring, and distance-aware context pruning. Experimental results demonstrate that OrcaLoca becomes the new open-source state-of-the-art (SOTA) in function match rate (65.33%) on SWE-bench Lite. It also improves the final resolved rate of an open-source framework by 6.33 percentage points through its patch generation integration.

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.

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

Large Language Models (LLMs) have achieved remarkable success across a wide array of tasks. Due to the impressive planning and reasoning abilities of LLMs, they have been used as autonomous agents to do many tasks automatically. Recently, based on the development of using one LLM as a single planning or decision-making agent, LLM-based multi-agent systems have achieved considerable progress in complex problem-solving and world simulation. To provide the community with an overview of this dynamic field, we present this survey to offer an in-depth discussion on the essential aspects of multi-agent systems based on LLMs, as well as the challenges. Our goal is for readers to gain substantial insights on the following questions: What domains and environments do LLM-based multi-agents simulate? How are these agents profiled and how do they communicate? What mechanisms contribute to the growth of agents' capacities? For those interested in delving into this field of study, we also summarize the commonly used datasets or benchmarks for them to have convenient access. To keep researchers updated on the latest studies, we maintain an open-source GitHub repository, dedicated to outlining the research on LLM-based multi-agent systems.

Intelligent agents stand out as a potential path toward artificial general intelligence (AGI). Thus, researchers have dedicated significant effort to diverse implementations for them. Benefiting from recent progress in large language models (LLMs), LLM-based agents that use universal natural language as an interface exhibit robust generalization capabilities across various applications -- from serving as autonomous general-purpose task assistants to applications in coding, social, and economic domains, LLM-based agents offer extensive exploration opportunities. This paper surveys current research to provide an in-depth overview of LLM-based intelligent agents within single-agent and multi-agent systems. It covers their definitions, research frameworks, and foundational components such as their composition, cognitive and planning methods, tool utilization, and responses to environmental feedback. We also delve into the mechanisms of deploying LLM-based agents in multi-agent systems, including multi-role collaboration, message passing, and strategies to alleviate communication issues between agents. The discussions also shed light on popular datasets and application scenarios. We conclude by envisioning prospects for LLM-based agents, considering the evolving landscape of AI and natural language processing.

As the field of AI continues to evolve, a significant dimension of this progression is the development of Large Language Models and their potential to enhance multi-agent artificial intelligence systems. This paper explores the cooperative capabilities of Large Language Model-augmented Autonomous Agents (LAAs) using the well-known Meltin Pot environments along with reference models such as GPT4 and GPT3.5. Preliminary results suggest that while these agents demonstrate a propensity for cooperation, they still struggle with effective collaboration in given environments, emphasizing the need for more robust architectures. The study's contributions include an abstraction layer to adapt Melting Pot game scenarios for LLMs, the implementation of a reusable architecture for LLM-mediated agent development - which includes short and long-term memories and different cognitive modules, and the evaluation of cooperation capabilities using a set of metrics tied to the Melting Pot's "Commons Harvest" game. The paper closes, by discussing the limitations of the current architectural framework and the potential of a new set of modules that fosters better cooperation among LAAs.

Large Language Model (LLM)-based agents are increasingly deployed for complex, tool-based tasks where long-term memory is critical to driving actions. Existing benchmarks, however, primarily test a angent's ability to passively retrieve isolated facts in response to explicit questions. They fail to evaluate the more crucial capability of actively applying memory to execute tasks. To address this gap, we introduce Mem2ActBench, a benchmark for evaluating whether agents can proactively leverage long-term memory to execute tool-based actions by selecting appropriate tools and grounding their parameters. The benchmark simulates persistent assistant usage, where users mention the same topic across long, interrupted interactions and expect previously established preferences and task states to be implicitly applied. We build the dataset with an automated pipeline that merges heterogeneous sources (ToolACE, BFCL, Oasst1), resolves conflicts via consistency modeling, and synthesizes 2,029 sessions with 12 user--assistant--tool turns on average. From these memory chains, a reverse-generation method produces 400 tool-use tasks, with human evaluation confirming 91.3\% are strongly memory-dependent. Experiments on seven memory frameworks show that current systems remain inadequate at actively utilizing memory for parameter grounding, highlighting the need for more effective approaches to evaluate and improve memory application in task execution.

Large language model powered autonomous agents demand robust, standardized protocols to integrate tools, share contextual data, and coordinate tasks across heterogeneous systems. Ad-hoc integrations are difficult to scale, secure, and generalize across domains. This survey examines four emerging agent communication protocols: Model Context Protocol (MCP), Agent Communication Protocol (ACP), Agent-to-Agent Protocol (A2A), and Agent Network Protocol (ANP), each addressing interoperability in deployment contexts. MCP provides a JSON-RPC client-server interface for secure tool invocation and typed data exchange. ACP defines a general-purpose communication protocol over RESTful HTTP, supporting MIME-typed multipart messages and synchronous and asynchronous interactions. Its lightweight and runtime-independent design enables scalable agent invocation, while features like session management, message routing, and integration with role-based and decentralized identifiers (DIDs). A2A enables peer-to-peer task delegation using capability-based Agent Cards, supporting secure and scalable collaboration across enterprise agent workflows. ANP supports open network agent discovery and secure collaboration using W3C decentralized identifiers DIDs and JSON-LD graphs. The protocols are compared across multiple dimensions, including interaction modes, discovery mechanisms, communication patterns, and security models. Based on the comparative analysis, a phased adoption roadmap is proposed: beginning with MCP for tool access, followed by ACP for structured, multimodal messaging session-aware interaction and both online and offline agent discovery across scalable, HTTP-based deployments A2A for collaborative task execution, and extending to ANP for decentralized agent marketplaces. This work provides a comprehensive foundation for designing secure, interoperable, and scalable ecosystems of LLM-powered agents.

Large language model (LLM)-based agents have emerged as powerful autonomous controllers for digital environments, including mobile interfaces, operating systems, and web browsers. Web navigation, for example, requires handling dynamic content and long sequences of actions, making it particularly challenging. Existing LLM-based agents struggle with long-horizon planning in two main ways. During online execution, they often lose track as new information arrives, lacking a clear and adaptive path toward the final goal. This issue is further exacerbated during reinforcement learning (RL) fine-tuning, where sparse and delayed rewards make it difficult for agents to identify which actions lead to success, preventing them from maintaining coherent reasoning over extended tasks. To address these challenges, we propose two contributions. First, we introduce an agent framework that leverages proprietary models for online planning through subgoal decomposition. Second, we present MiRA (Milestoning your Reinforcement Learning Enhanced Agent), an RL training framework that uses dense, milestone-based reward signals. The real-time planning mechanism improves proprietary models such as Gemini by approximately a 10% absolute increase in success rate (SR) on the WebArena-Lite benchmark. Meanwhile, applying MiRA to the open Gemma3-12B model increases its success rate from 6.4% to 43.0%. This performance surpasses proprietary systems such as GPT-4-Turbo (17.6%) and GPT-4o (13.9%), as well as the previous open-model state of the art, WebRL (38.4%). Overall, our findings demonstrate that combining explicit inference-time planning with milestone-based rewards significantly improves an agent's long-horizon capabilities, paving the way for more robust and general-purpose autonomous systems.

Large language model (LLM)-powered agents can translate high-level user intents into plans and actions in an environment. Yet after observing an outcome, users may wonder: What if I had phrased my intent differently? We introduce a framework that enables such counterfactual reasoning in agentic LLM-driven control scenarios, while providing formal reliability guarantees. Our approach models the closed-loop interaction between a user, an LLM-based agent, and an environment as a structural causal model (SCM), and leverages test-time scaling to generate multiple candidate counterfactual outcomes via probabilistic abduction. Through an offline calibration phase, the proposed conformal counterfactual generation (CCG) yields sets of counterfactual outcomes that are guaranteed to contain the true counterfactual outcome with high probability. We showcase the performance of CCG on a wireless network control use case, demonstrating significant advantages compared to naive re-execution baselines.

While modern recommender systems are instrumental in navigating information abundance, they remain fundamentally limited by static user modeling and reactive decision-making paradigms. Current large language model (LLM)-based agents inherit these shortcomings through their overreliance on heuristic pattern matching, yielding recommendations prone to shallow correlation bias, limited causal inference, and brittleness in sparse-data scenarios. We introduce STARec, a slow-thinking augmented agent framework that endows recommender systems with autonomous deliberative reasoning capabilities. Each user is modeled as an agent with parallel cognitions: fast response for immediate interactions and slow reasoning that performs chain-of-thought rationales. To cultivate intrinsic slow thinking, we develop anchored reinforcement training - a two-stage paradigm combining structured knowledge distillation from advanced reasoning models with preference-aligned reward shaping. This hybrid approach scaffolds agents in acquiring foundational capabilities (preference summarization, rationale generation) while enabling dynamic policy adaptation through simulated feedback loops. Experiments on MovieLens 1M and Amazon CDs benchmarks demonstrate that STARec achieves substantial performance gains compared with state-of-the-art baselines, despite using only 0.4% of the full training data.

Large Language Model (LLM)-based agents are increasingly deployed in real-world applications such as "digital assistants, autonomous customer service, and decision-support systems", where their ability to "interact in multi-turn, tool-augmented environments" makes them indispensable. However, ensuring the safety of these agents remains a significant challenge due to the diverse and complex risks arising from dynamic user interactions, external tool usage, and the potential for unintended harmful behaviors. To address this critical issue, we propose AutoSafe, the first framework that systematically enhances agent safety through fully automated synthetic data generation. Concretely, 1) we introduce an open and extensible threat model, OTS, which formalizes how unsafe behaviors emerge from the interplay of user instructions, interaction contexts, and agent actions. This enables precise modeling of safety risks across diverse scenarios. 2) we develop a fully automated data generation pipeline that simulates unsafe user behaviors, applies self-reflective reasoning to generate safe responses, and constructs a large-scale, diverse, and high-quality safety training dataset-eliminating the need for hazardous real-world data collection. To evaluate the effectiveness of our framework, we design comprehensive experiments on both synthetic and real-world safety benchmarks. Results demonstrate that AutoSafe boosts safety scores by 45% on average and achieves a 28.91% improvement on real-world tasks, validating the generalization ability of our learned safety strategies. These results highlight the practical advancement and scalability of AutoSafe in building safer LLM-based agents for real-world deployment. We have released the project page at https://auto-safe.github.io/.

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

Large Language Model (LLM)-based agents have emerged as a transformative approach for open-ended problem solving, with information seeking (IS) being a core capability that enables autonomous reasoning and decision-making. While prior research has largely focused on improving retrieval depth, we observe that current IS agents often suffer from low search efficiency, which in turn constrains overall performance. A key factor underlying this inefficiency is the sparsity of target entities in training tasks, which limits opportunities for agents to learn and generalize efficient search behaviors. To address these challenges, we propose WebLeaper, a framework for constructing high-coverage IS tasks and generating efficient solution trajectories. We formulate IS as a tree-structured reasoning problem, enabling a substantially larger set of target entities to be embedded within a constrained context. Leveraging curated Wikipedia tables, we propose three variants for synthesizing IS tasks, Basic, Union, and Reverse-Union, to systematically increase both IS efficiency and efficacy. Finally, we curate training trajectories by retaining only those that are simultaneously accurate and efficient, ensuring that the model is optimized for both correctness and search performance. Extensive experiments on both basic and comprehensive settings, conducted on five IS benchmarks, BrowserComp, GAIA, xbench-DeepSearch, WideSearch, and Seal-0, demonstrate that our method consistently achieves improvements in both effectiveness and efficiency over strong baselines.

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in Electronic-structure Reasoning (MASTER), an active learning framework where large language models autonomously design, execute, and interpret atomistic simulations. In MASTER, a multimodal system translates natural language into density functional theory workflows, while higher-level reasoning agents guide discovery through a hierarchy of strategies, including a single agent baseline and three multi-agent approaches: peer review, triage-ranking, and triage-forms. Across two chemical applications, CO adsorption on Cu-surface transition metal (M) adatoms and on M-N-C catalysts, reasoning-driven exploration reduces required atomistic simulations by up to 90% relative to trial-and-error selection. Reasoning trajectories reveal chemically grounded decisions that cannot be explained by stochastic sampling or semantic bias. Altogether, multi-agent collaboration accelerates materials discovery and marks a new paradigm for autonomous scientific exploration.

The rapid advancement of conversational and chat-based language models has led to remarkable progress in complex task-solving. However, their success heavily relies on human input to guide the conversation, which can be challenging and time-consuming. This paper explores the potential of building scalable techniques to facilitate autonomous cooperation among communicative agents and provide insight into their "cognitive" processes. To address the challenges of achieving autonomous cooperation, we propose a novel communicative agent framework named role-playing. Our approach involves using inception prompting to guide chat agents toward task completion while maintaining consistency with human intentions. We showcase how role-playing can be used to generate conversational data for studying the behaviors and capabilities of chat agents, providing a valuable resource for investigating conversational language models. Our contributions include introducing a novel communicative agent framework, offering a scalable approach for studying the cooperative behaviors and capabilities of multi-agent systems, and open-sourcing our library to support research on communicative agents and beyond. The GitHub repository of this project is made publicly available on: https://github.com/lightaime/camel.

AI agents have become increasingly significant in various domains, enabling autonomous decision-making and problem-solving. To function effectively, these agents require a planning process that determines the best course of action and then executes the planned actions. In this paper, we present an efficient on-device Planner-Action framework that separates planning and action execution into two distinct components: a planner agent based on Phi-3 Mini, a 3.8 billion parameter LLM optimized for edge devices, and an action agent using the Octopus model for function execution. The planner agent first responds to user queries by decomposing tasks into a sequence of sub-steps, which are then executed by the action agent. To optimize performance on resource-constrained devices, we employ model fine-tuning instead of in-context learning, reducing computational costs and energy consumption while improving response times. Our approach involves using GPT-4 to generate diverse planning queries and responses based on available functions, with subsequent validations to ensure data quality. We fine-tune the Phi-3 Mini model on this curated dataset, achieving a 97\% success rate in our in-domain test environment. To address multi-domain planning challenges, we developed a multi-LoRA training method that merges weights from LoRAs trained on distinct function subsets. This approach enables flexible handling of complex, multi-domain queries while maintaining computational efficiency on resource-constrained devices. To support further research, we have open-sourced our model weights at https://huggingface.co/NexaAIDev/octopus-planning. For the demo, please refer to https://www.nexa4ai.com/octo-planner.

The drive toward automating cellular network operations has grown with the increasing complexity of these systems. Despite advancements, full autonomy currently remains out of reach due to reliance on human intervention for modeling network behaviors and defining policies to meet target requirements. Network Digital Twins (NDTs) have shown promise in enhancing network intelligence, but the successful implementation of this technology is constrained by use case-specific architectures, limiting its role in advancing network autonomy. A more capable network intelligence, or "telecommunications brain", is needed to enable seamless, autonomous management of cellular network. Large Language Models (LLMs) have emerged as potential enablers for this vision but face challenges in network modeling, especially in reasoning and handling diverse data types. To address these gaps, we introduce Hermes, a chain of LLM agents that uses "blueprints" for constructing NDT instances through structured and explainable logical steps. Hermes allows automatic, reliable, and accurate network modeling of diverse use cases and configurations, thus marking progress toward fully autonomous network operations.

Large Language Model Multi-Agent Systems (LLM-MAS) have achieved great progress in solving complex tasks. It performs communication among agents within the system to collaboratively solve tasks, under the premise of shared information. However, when agents' communication is leveraged to enhance human cooperation, a new challenge arises due to information asymmetry, since each agent can only access the information of its human user. Previous MAS struggle to complete tasks under this condition. To address this, we propose a new MAS paradigm termed iAgents, which denotes Informative Multi-Agent Systems. In iAgents, the human social network is mirrored in the agent network, where agents proactively exchange human information necessary for task resolution, thereby overcoming information asymmetry. iAgents employs a novel agent reasoning mechanism, InfoNav, to navigate agents' communication towards effective information exchange. Together with InfoNav, iAgents organizes human information in a mixed memory to provide agents with accurate and comprehensive information for exchange. Additionally, we introduce InformativeBench, the first benchmark tailored for evaluating LLM agents' task-solving ability under information asymmetry. Experimental results show that iAgents can collaborate within a social network of 140 individuals and 588 relationships, autonomously communicate over 30 turns, and retrieve information from nearly 70,000 messages to complete tasks within 3 minutes.

As language models are increasingly deployed as autonomous agents in high-stakes settings, ensuring that they reliably follow user-defined rules has become a critical safety concern. To this end, we study whether language models exhibit contextual robustness, or the capability to adhere to context-dependent safety specifications. For this analysis, we develop a benchmark (PasswordEval) that measures whether language models can correctly determine when a user request is authorized (i.e., with a correct password). We find that current open- and closed-source models struggle with this seemingly simple task, and that, perhaps surprisingly, reasoning capabilities do not generally improve performance. In fact, we find that reasoning traces frequently leak confidential information, which calls into question whether reasoning traces should be exposed to users in such applications. We also scale the difficulty of our evaluation along multiple axes: (i) by adding adversarial user pressure through various jailbreaking strategies, and (ii) through longer multi-turn conversations where password verification is more challenging. Overall, our results suggest that current frontier models are not well-suited to handling confidential information, and that reasoning capabilities may need to be trained in a different manner to make them safer for release in high-stakes settings.

Supply chain management (SCM) involves coordinating the flow of goods, information, and finances across various entities to deliver products efficiently. Effective inventory management is crucial in today's volatile and uncertain world. Previous research has demonstrated the superiority of heuristic methods and reinforcement learning applications in inventory management. However, the application of large language models (LLMs) as autonomous agents in multi-agent systems for inventory management remains underexplored. This study introduces a novel approach using LLMs to manage multi-agent inventory systems. Leveraging their zero-shot learning capabilities, our model, InvAgent, enhances resilience and improves efficiency across the supply chain network. Our contributions include utilizing LLMs for zero-shot learning to enable adaptive and informed decision-making without prior training, providing explainability and clarity through chain-of-thought, and demonstrating dynamic adaptability to varying demand scenarios while reducing costs and preventing stockouts. Extensive evaluations across different scenarios highlight the efficiency of our model in SCM.

With the growing reliance on digital devices equipped with graphical user interfaces (GUIs), such as computers and smartphones, the need for effective automation tools has become increasingly important. Although multimodal large language models (MLLMs) like GPT-4V excel at tasks such as drafting emails, they struggle with GUI interactions, which limits their effectiveness in automating everyday tasks. In this paper, we introduce ClickAgent, a novel framework for building autonomous agents. In ClickAgent, the MLLM handles reasoning and action planning, while a separate UI location model (e.g., SeeClick) identifies the relevant UI elements on the screen. This approach addresses a key limitation of current-generation MLLMs: their difficulty in accurately locating UI elements. ClickAgent significantly outperforms other prompt-based autonomous agents (such as CogAgent, AppAgent, and Auto-UI) on the AITW benchmark. Our evaluation was conducted on both an Android smartphone emulator and an actual Android smartphone, using the task success rate as the key metric for measuring agent performance.

Scene simulation in autonomous driving has gained significant attention because of its huge potential for generating customized data. However, existing editable scene simulation approaches face limitations in terms of user interaction efficiency, multi-camera photo-realistic rendering and external digital assets integration. To address these challenges, this paper introduces ChatSim, the first system that enables editable photo-realistic 3D driving scene simulations via natural language commands with external digital assets. To enable editing with high command flexibility,~ChatSim leverages a large language model (LLM) agent collaboration framework. To generate photo-realistic outcomes, ChatSim employs a novel multi-camera neural radiance field method. Furthermore, to unleash the potential of extensive high-quality digital assets, ChatSim employs a novel multi-camera lighting estimation method to achieve scene-consistent assets' rendering. Our experiments on Waymo Open Dataset demonstrate that ChatSim can handle complex language commands and generate corresponding photo-realistic scene videos.

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.

Recently, autonomous agents built on large language models (LLMs) have experienced significant development and are being deployed in real-world applications. These agents can extend the base LLM's capabilities in multiple ways. For example, a well-built agent using GPT-3.5-Turbo as its core can outperform the more advanced GPT-4 model by leveraging external components. More importantly, the usage of tools enables these systems to perform actions in the real world, moving from merely generating text to actively interacting with their environment. Given the agents' practical applications and their ability to execute consequential actions, it is crucial to assess potential vulnerabilities. Such autonomous systems can cause more severe damage than a standalone language model if compromised. While some existing research has explored harmful actions by LLM agents, our study approaches the vulnerability from a different perspective. We introduce a new type of attack that causes malfunctions by misleading the agent into executing repetitive or irrelevant actions. We conduct comprehensive evaluations using various attack methods, surfaces, and properties to pinpoint areas of susceptibility. Our experiments reveal that these attacks can induce failure rates exceeding 80\% in multiple scenarios. Through attacks on implemented and deployable agents in multi-agent scenarios, we accentuate the realistic risks associated with these vulnerabilities. To mitigate such attacks, we propose self-examination detection methods. However, our findings indicate these attacks are difficult to detect effectively using LLMs alone, highlighting the substantial risks associated with this vulnerability.

Recent advances in large language models (LLMs) have sparked growing interest in building fully autonomous agents. However, fully autonomous LLM-based agents still face significant challenges, including limited reliability due to hallucinations, difficulty in handling complex tasks, and substantial safety and ethical risks, all of which limit their feasibility and trustworthiness in real-world applications. To overcome these limitations, LLM-based human-agent systems (LLM-HAS) incorporate human-provided information, feedback, or control into the agent system to enhance system performance, reliability and safety. This paper provides the first comprehensive and structured survey of LLM-HAS. It clarifies fundamental concepts, systematically presents core components shaping these systems, including environment & profiling, human feedback, interaction types, orchestration and communication, explores emerging applications, and discusses unique challenges and opportunities. By consolidating current knowledge and offering a structured overview, we aim to foster further research and innovation in this rapidly evolving interdisciplinary field. Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-LLM-Based-Human-Agent-Systems.

Recent advancements in foundation models (FMs) have unlocked new prospects in autonomous driving, yet the experimental settings of these studies are preliminary, over-simplified, and fail to capture the complexity of real-world driving scenarios in human environments. It remains under-explored whether FM agents can handle long-horizon navigation tasks with free-from dialogue and deal with unexpected situations caused by environmental dynamics or task changes. To explore the capabilities and boundaries of FMs faced with the challenges above, we introduce DriVLMe, a video-language-model-based agent to facilitate natural and effective communication between humans and autonomous vehicles that perceive the environment and navigate. We develop DriVLMe from both embodied experiences in a simulated environment and social experiences from real human dialogue. While DriVLMe demonstrates competitive performance in both open-loop benchmarks and closed-loop human studies, we reveal several limitations and challenges, including unacceptable inference time, imbalanced training data, limited visual understanding, challenges with multi-turn interactions, simplified language generation from robotic experiences, and difficulties in handling on-the-fly unexpected situations like environmental dynamics and task changes.

Vision-Language Models (VLMs) excel in many direct multimodal tasks but struggle to translate this prowess into effective decision-making within interactive, visually rich environments like games. This ``knowing-doing'' gap significantly limits their potential as autonomous agents, as leading VLMs often performing badly in simple games. To address this, we introduce VLM-Gym, a curated reinforcement learning (RL) environment featuring diverse visual games with unified interfaces and adjustable, compositional difficulty, specifically designed for scalable multi-game parallel training. Leveraging VLM-Gym, we train G0 models using pure RL-driven self-evolution, which demonstrate emergent perception and reasoning patterns. To further mitigate challenges arising from game diversity, we develop G1 models. G1 incorporates a perception-enhanced cold start prior to RL fine-tuning. Our resulting G1 models consistently surpass their teacher across all games and outperform leading proprietary models like Claude-3.7-Sonnet-Thinking. Systematic analysis reveals an intriguing finding: perception and reasoning abilities mutually bootstrap each other throughout the RL training process. Source code including VLM-Gym and RL training are released at https://github.com/chenllliang/G1 to foster future research in advancing VLMs as capable interactive agents.

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

In recent developments within the research community, the integration of Large Language Models (LLMs) in creating fully autonomous agents has garnered significant interest. Despite this, LLM-based agents frequently demonstrate notable shortcomings in adjusting to dynamic environments and fully grasping human needs. In this work, we introduce the problem of LLM-based human-agent collaboration for complex task-solving, exploring their synergistic potential. In addition, we propose a Reinforcement Learning-based Human-Agent Collaboration method, ReHAC. This approach includes a policy model designed to determine the most opportune stages for human intervention within the task-solving process. We construct a human-agent collaboration dataset to train this policy model in an offline reinforcement learning environment. Our validation tests confirm the model's effectiveness. The results demonstrate that the synergistic efforts of humans and LLM-based agents significantly improve performance in complex tasks, primarily through well-planned, limited human intervention. Datasets and code are available at: https://github.com/XueyangFeng/ReHAC.

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.

Recent advancements have increasingly focused on leveraging large language models (LLMs) to construct autonomous agents for complex problem-solving tasks. However, existing approaches predominantly employ a single-agent framework to generate search branches and estimate rewards during Monte Carlo Tree Search (MCTS) planning. This single-agent paradigm inherently limits exploration capabilities, often resulting in insufficient diversity among generated branches and suboptimal planning performance. To overcome these limitations, we propose Synergistic Multi-agent Planning with Heterogeneous langauge model assembly (SYMPHONY), a novel multi-agent planning framework that integrates a pool of heterogeneous language model-based agents. By leveraging diverse reasoning patterns across agents, SYMPHONY enhances rollout diversity and facilitates more effective exploration. Empirical results across multiple benchmark tasks show that SYMPHONY achieves strong performance even when instantiated with open-source LLMs deployable on consumer-grade hardware. When enhanced with cloud-based LLMs accessible via API, SYMPHONY demonstrates further improvements, outperforming existing state-of-the-art baselines and underscoring the effectiveness of heterogeneous multi-agent coordination in planning tasks.

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

Data-intensive applications, ranging from large-scale retrieval systems to advanced data pipelines, are increasingly bottlenecked by the processing of highly redundant text corpora. We present Merlin, a local-first, agnostic, high-throughput deduplication and context optimization engine designed to mitigate these inefficiencies. Utilizing a highly optimized, SIMD-friendly open-addressing flat hash set combined with xxHash3-64, Merlin performs rapid, byte-exact deduplication of text passages and data chunks. While broadly applicable to any text-processing workflow, its impact is particularly pronounced in Large Language Model (LLM) ecosystems, such as Retrieval-Augmented Generation (RAG). Our empirical evaluations demonstrate an input reduction ranging from 13.9% in low-redundancy datasets to over 71% in high-redundancy pipelines, maintaining absolute data fidelity. Furthermore, we detail the system's integration architecture via the Model Context Protocol (MCP), enabling secure, zero-network-interception deployment across major IDEs and autonomous agents. This paper outlines the core algorithmic design, performance benchmarks, and the architectural principles required to process data at sustained speeds of up to 8.7 GB/s.

We introduce Diffusion Augmented Agents (DAAG), a novel framework that leverages large language models, vision language models, and diffusion models to improve sample efficiency and transfer learning in reinforcement learning for embodied agents. DAAG hindsight relabels the agent's past experience by using diffusion models to transform videos in a temporally and geometrically consistent way to align with target instructions with a technique we call Hindsight Experience Augmentation. A large language model orchestrates this autonomous process without requiring human supervision, making it well-suited for lifelong learning scenarios. The framework reduces the amount of reward-labeled data needed to 1) finetune a vision language model that acts as a reward detector, and 2) train RL agents on new tasks. We demonstrate the sample efficiency gains of DAAG in simulated robotics environments involving manipulation and navigation. Our results show that DAAG improves learning of reward detectors, transferring past experience, and acquiring new tasks - key abilities for developing efficient lifelong learning agents. Supplementary material and visualizations are available on our website https://sites.google.com/view/diffusion-augmented-agents/

Vision-language model (VLM) based web agents demonstrate impressive autonomous GUI interaction but remain vulnerable to deceptive interface elements. Existing approaches either detect deception without task integration or document attacks without proposing defenses. We formalize deception-aware web agent defense and propose DUDE (Deceptive UI Detector & Evaluator), a two-stage framework combining hybrid-reward learning with asymmetric penalties and experience summarization to distill failure patterns into transferable guidance. We introduce RUC (Real UI Clickboxes), a benchmark of 1,407 scenarios spanning four domains and deception categories. Experiments show DUDE reduces deception susceptibility by 53.8% while maintaining task performance, establishing an effective foundation for robust web agent deployment.

Large language model (LLM) leads to a surge of autonomous GUI agents for smartphone, which completes a task triggered by natural language through predicting a sequence of actions of API. Even though the task highly relies on past actions and visual observations, existing studies typical consider little semantic information carried out by intermediate screenshots and screen operations. To address this, this work presents Chain-of-Action-Thought (dubbed CoAT), which takes the description of the previous actions, the current screen, and more importantly the action thinking of what actions should be performed and the outcomes led by the chosen action. We demonstrate that, in a zero-shot setting upon an off-the-shell LLM, CoAT significantly improves the goal progress compared to standard context modeling. To further facilitate the research in this line, we construct a benchmark Android-In-The-Zoo (AitZ), which contains 18,643 screen-action pairs together with chain-of-action-thought annotations. Experiments show that fine-tuning a 200M model on our AitZ dataset achieves on par performance with CogAgent-Chat-18B.

Recent advances in large language model (LLM) have empowered autonomous agents to perform complex tasks that require multi-turn interactions with tools and environments. However, scaling such agent training is limited by the lack of diverse and reliable environments. In this paper, we propose Agent World Model (AWM), a fully synthetic environment generation pipeline. Using this pipeline, we scale to 1,000 environments covering everyday scenarios, in which agents can interact with rich toolsets (35 tools per environment on average) and obtain high-quality observations. Notably, these environments are code-driven and backed by databases, providing more reliable and consistent state transitions than environments simulated by LLMs. Moreover, they enable more efficient agent interaction compared with collecting trajectories from realistic environments. To demonstrate the effectiveness of this resource, we perform large-scale reinforcement learning for multi-turn tool-use agents. Thanks to the fully executable environments and accessible database states, we can also design reliable reward functions. Experiments on three benchmarks show that training exclusively in synthetic environments, rather than benchmark-specific ones, yields strong out-of-distribution generalization. The code is available at https://github.com/Snowflake-Labs/agent-world-model.

The transition from stateless language model inference to persistent, multi session autonomous agents has revealed memory to be a primary architectural bottleneck in the deployment of production grade agentic systems. Existing methodologies largely depend on hybrid semantic graph architectures, which impose substantial computational overhead during both ingestion and retrieval. These systems typically require large language model mediated entity extraction, explicit graph schema maintenance, and multi query retrieval pipelines. This paper introduces Memanto, a universal memory layer for agentic artificial intelligence that challenges the prevailing assumption that knowledge graph complexity is necessary to achieve high fidelity agent memory. Memanto integrates a typed semantic memory schema comprising thirteen predefined memory categories, an automated conflict resolution mechanism, and temporal versioning. These components are enabled by Moorcheh's Information Theoretic Search engine, a no indexing semantic database that provides deterministic retrieval within sub ninety millisecond latency while eliminating ingestion delay. Through systematic benchmarking on the LongMemEval and LoCoMo evaluation suites, Memanto achieves state of the art accuracy scores of 89.8 percent and 87.1 percent respectively. These results surpass all evaluated hybrid graph and vector based systems while requiring only a single retrieval query, incurring no ingestion cost, and maintaining substantially lower operational complexity. A five stage progressive ablation study is presented to quantify the contribution of each architectural component, followed by a discussion of the implications for scalable deployment of agentic memory systems.

The continued improvements in language model capability have unlocked their widespread use as drivers of autonomous agents, for example in coding or computer use applications. However, the core of these systems has not changed much since early instruction-tuned models like ChatGPT. Even advanced AI agents function on message exchange formats, successively exchanging messages with users, systems, with itself (i.e. chain-of-thought) and tools in a single stream of computation. This bottleneck to a single stream in chat models leads to a number of limitations: the agent cannot act (generate output) while reading, and in reverse, cannot react to new information while writing. Similarly, the agent cannot act while thinking and cannot think while reading or acting on information. In this work, we show that models can be unblocked by switching from instruction-tuning for sequential message formats to instruction-tuning for multiple, parallel streams of computation, splitting each role into a separate stream. Every forward pass of the language model then simultaneously reads from multiple input streams and generates tokens in multiple output streams, all of which causally depend on earlier timesteps. We argue that this data-driven change remedies a number of usability limitations as outlined above, improves model efficiency through parallelization, improves model security through better separation of concerns and can further improve model monitorability.

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.

Critical domain knowledge typically resides with few experts, creating organizational bottlenecks in scalability and decision-making. Non-experts struggle to create effective visualizations, leading to suboptimal insights and diverting expert time. This paper investigates how to capture and embed human domain knowledge into AI agent systems through an industrial case study. We propose a software engineering framework to capture human domain knowledge for engineering AI agents in simulation data visualization by augmenting a Large Language Model (LLM) with a request classifier, Retrieval-Augmented Generation (RAG) system for code generation, codified expert rules, and visualization design principles unified in an agent demonstrating autonomous, reactive, proactive, and social behavior. Evaluation across five scenarios spanning multiple engineering domains with 12 evaluators demonstrates 206% improvement in output quality, with our agent achieving expert-level ratings in all cases versus baseline's poor performance, while maintaining superior code quality with lower variance. Our contributions are: an automated agent-based system for visualization generation and a validated framework for systematically capturing human domain knowledge and codifying tacit expert knowledge into AI agents, demonstrating that non-experts can achieve expert-level outcomes in specialized domains.

We present OpenDriveVLA, a Vision-Language Action (VLA) model designed for end-to-end autonomous driving. OpenDriveVLA builds upon open-source pre-trained large Vision-Language Models (VLMs) to generate reliable driving actions, conditioned on 3D environmental perception, ego vehicle states, and driver commands. To bridge the modality gap between driving visual representations and language embeddings, we propose a hierarchical vision-language alignment process, projecting both 2D and 3D structured visual tokens into a unified semantic space. Besides, OpenDriveVLA models the dynamic relationships between the ego vehicle, surrounding agents, and static road elements through an autoregressive agent-env-ego interaction process, ensuring both spatially and behaviorally informed trajectory planning. Extensive experiments on the nuScenes dataset demonstrate that OpenDriveVLA achieves state-of-the-art results across open-loop trajectory planning and driving-related question-answering tasks. Qualitative analyses further illustrate OpenDriveVLA's superior capability to follow high-level driving commands and robustly generate trajectories under challenging scenarios, highlighting its potential for next-generation end-to-end autonomous driving. We will release our code to facilitate further research in this domain.

Foundation model-enabled generative artificial intelligence facilitates the development and implementation of agents, which can leverage distinguished reasoning and language processing capabilities to takes a proactive, autonomous role to pursue users' goals. Nevertheless, there is a lack of systematic knowledge to guide practitioners in designing the agents considering challenges of goal-seeking (including generating instrumental goals and plans), such as hallucinations inherent in foundation models, explainability of reasoning process, complex accountability, etc. To address this issue, we have performed a systematic literature review to understand the state-of-the-art foundation model-based agents and the broader ecosystem. In this paper, we present a pattern catalogue consisting of 18 architectural patterns with analyses of the context, forces, and trade-offs as the outcomes from the previous literature review. We propose a decision model for selecting the patterns. The proposed catalogue can provide holistic guidance for the effective use of patterns, and support the architecture design of foundation model-based agents by facilitating goal-seeking and plan generation.

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential to accelerate scientific discovery through automation. We also review LLM-based autonomous agents: LLMs with a broader set of tools to interact with their surrounding environment. These agents perform diverse tasks such as paper scraping, interfacing with automated laboratories, and synthesis planning. As agents are an emerging topic, we extend the scope of our review of agents beyond chemistry and discuss across any scientific domains. This review covers the recent history, current capabilities, and design of LLMs and autonomous agents, addressing specific challenges, opportunities, and future directions in chemistry. Key challenges include data quality and integration, model interpretability, and the need for standard benchmarks, while future directions point towards more sophisticated multi-modal agents and enhanced collaboration between agents and experimental methods. Due to the quick pace of this field, a repository has been built to keep track of the latest studies: https://github.com/ur-whitelab/LLMs-in-science.

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

Fine-tuning large language models for vertical domains remains a labor-intensive and expensive process, requiring domain experts to curate data, configure training, and iteratively diagnose model behavior. Despite growing interest in autonomous machine learning, no prior work has tackled end-to-end LLM fine-tuning with agents. Can LLM-based agents automate this complete process? We frame this as a substantially open problem: agents must navigate an open-ended search space spanning data curation from diverse data sources, processing with complex tools, building a training pipeline, and iteratively refining their approach based on evaluation outcomes in rapidly growing logs--an overall scenario far more intricate than existing benchmarks. To study this question, we introduce FT-Dojo, an interactive environment comprising 13 tasks across 5 domains. We further develop FT-Agent, an autonomous system that mirrors human experts by leveraging evaluation-driven feedback to iteratively diagnose failures and refine fine-tuning strategies. Experiments on FT-Dojo demonstrate that purpose-built fine-tuning agents significantly outperform general-purpose alternatives, with FT-Agent achieving the best performance on 10 out of 13 tasks across all five domains. Ablations show that the approach generalizes effectively to 3B models, with additional insights on data scaling trade-offs and backbone sensitivity. Case analyses reveal that agents can recover from failures through cumulative learning from historical experience, while also exposing fundamental limitations in causal reasoning--highlighting both the promise and current boundaries of autonomous LLM fine-tuning.

Clinical AI development has traditionally followed a collaborative paradigm that depends on close interaction between clinicians and specialized AI teams. This paradigm imposes a practical challenge: clinicians must repeatedly communicate and refine their requirements with AI developers before those requirements can be translated into executable model development. This iterative process is time-consuming, and even after repeated discussion, misalignment may still exist because the two sides do not fully share each other's expertise. However, autonomous coding agents may change this paradigm, raising the possibility that clinicians could develop clinical AI models independently through natural-language interaction alone. In this study, we present such an autonomous prototype for clinician-driven clinical AI development. We evaluated the system on five clinical tasks spanning dermoscopic lesion classification, melanoma-versus-nevus triage, wrist-fracture detection (including a weakly supervised variant with only 5% bounding-box annotations), and debiased pneumothorax classification on chest radiographs. Across these settings, the system consistently developed models from clinician requests and achieved promising performance. Notably, in a debiased pneumothorax classification task on chest radiographs, where chest drains can act as a major confounder, the system successfully mitigated shortcut learning and nearly halved the model's reliance on chest drains. These findings provide proof of concept that autonomous coding agents may help shift clinical AI development toward a more clinician-driven paradigm, reducing the communication overhead and dependence on specialized AI developers. Although further validation and robustness assessment are needed, this study suggests a promising path toward making clinical AI development more accessible.

The development of autonomous web agents, powered by Large Language Models (LLMs) and reinforcement learning (RL), represents a significant step towards general-purpose AI assistants. However, training these agents is severely hampered by the challenges of interacting with the live internet, which is inefficient, costly, and fraught with risks. Model-based reinforcement learning (MBRL) offers a promising solution by learning a world model of the environment to enable simulated interaction. This paper introduces DynaWeb, a novel MBRL framework that trains web agents through interacting with a web world model trained to predict naturalistic web page representations given agent actions. This model serves as a synthetic web environment where an agent policy can dream by generating vast quantities of rollout action trajectories for efficient online reinforcement learning. Beyond free policy rollouts, DynaWeb incorporates real expert trajectories from training data, which are randomly interleaved with on-policy rollouts during training to improve stability and sample efficiency. Experiments conducted on the challenging WebArena and WebVoyager benchmarks demonstrate that DynaWeb consistently and significantly improves the performance of state-of-the-art open-source web agent models. Our findings establish the viability of training web agents through imagination, offering a scalable and efficient way to scale up online agentic RL.

Graphical User Interface (GUI) element grounding (precisely locating elements on screenshots based on natural language instructions) is fundamental for agents interacting with GUIs. Deploying this capability directly on resource-constrained devices like mobile phones is increasingly critical for GUI agents requiring low latency. However, this goal faces a significant challenge, as current visual grounding methods typically employ large vision-language model (VLM) (more than 2.5B parameters), making them impractical for on-device execution due to memory and computational constraints. To address this, this paper introduces GoClick, a lightweight GUI element grounding VLM with only 230M parameters that achieves excellent visual grounding accuracy, even on par with significantly larger models. Simply downsizing existing decoder-only VLMs is a straightforward way to design a lightweight model, but our experiments reveal that this approach yields suboptimal results. Instead, we select an encoder-decoder architecture, which outperforms decoder-only alternatives at small parameter scales for GUI grounding tasks. Additionally, the limited capacity of small VLMs encourages us to develop a Progressive Data Refinement pipeline that utilizes task type filtering and data ratio adjustment to extract a high-quality 3.8M-sample core set from a 10.8M raw dataset. Training GoClick using this core set brings notable grounding accuracy gains. Our experiments show that GoClick excels on multiple GUI element grounding benchmarks while maintaining a small size and high inference speed. GoClick also enhances GUI agent performance when integrated into a device-cloud collaboration framework, where GoClick helps cloud-based task planners perform precise element localization and achieve higher success rates. We hope our method serves as a meaningful exploration within the GUI agent community.

Long-horizon robotic manipulation poses significant challenges for autonomous systems, requiring extended reasoning, precise execution, and robust error recovery across complex sequential tasks. Current approaches, whether based on static planning or end-to-end visuomotor policies, suffer from error accumulation and lack effective verification mechanisms during execution, limiting their reliability in real-world scenarios. We present Agentic Robot, a brain-inspired framework that addresses these limitations through Standardized Action Procedures (SAP)--a novel coordination protocol governing component interactions throughout manipulation tasks. Drawing inspiration from Standardized Operating Procedures (SOPs) in human organizations, SAP establishes structured workflows for planning, execution, and verification phases. Our architecture comprises three specialized components: (1) a large reasoning model that decomposes high-level instructions into semantically coherent subgoals, (2) a vision-language-action executor that generates continuous control commands from real-time visual inputs, and (3) a temporal verifier that enables autonomous progression and error recovery through introspective assessment. This SAP-driven closed-loop design supports dynamic self-verification without external supervision. On the LIBERO benchmark, Agentic Robot achieves state-of-the-art performance with an average success rate of 79.6\%, outperforming SpatialVLA by 6.1\% and OpenVLA by 7.4\% on long-horizon tasks. These results demonstrate that SAP-driven coordination between specialized components enhances both performance and interpretability in sequential manipulation, suggesting significant potential for reliable autonomous systems. Project Github: https://agentic-robot.github.io.

Existing computer-use agents primarily focus on general-purpose desktop automation tasks, with limited exploration of their application in highly specialized domains. In particular, the 3D building modeling process in the Architecture, Engineering, and Construction (AEC) sector involves open-ended design tasks and complex interaction patterns within Building Information Modeling (BIM) authoring software, which has yet to be thoroughly addressed by current studies. In this paper, we propose BIMgent, an agentic framework powered by multimodal large language models (LLMs), designed to enable autonomous building model authoring via graphical user interface (GUI) operations. BIMgent automates the architectural building modeling process, including multimodal input for conceptual design, planning of software-specific workflows, and efficient execution of the authoring GUI actions. We evaluate BIMgent on real-world building modeling tasks, including both text-based conceptual design generation and reconstruction from existing building design. The design quality achieved by BIMgent was found to be reasonable. Its operations achieved a 32% success rate, whereas all baseline models failed to complete the tasks (0% success rate). Results demonstrate that BIMgent effectively reduces manual workload while preserving design intent, highlighting its potential for practical deployment in real-world architectural modeling scenarios. Project page: https://tumcms.github.io/BIMgent.github.io/

Large language models (LLMs) increasingly act as autonomous agents that must decide when to answer directly vs. when to invoke external tools. Prior work studying adaptive tool use has largely treated tool necessity as a model-agnostic property, annotated by human or LLM judge, and mostly cover cases where the answer is obvious (e.g., fetching the weather vs. paraphrasing text). However, tool necessity in the wild is more nuanced due to the divergence of capability boundaries across models: a problem solvable by a strong model on its own may still require tools for a weaker one. In this work, we introduce a model-adaptive definition of tool-necessity, grounded in each model's empirical performance. Following this definition, we compare the necessity against observed tool-call behavior across four models on arithmetic and factual QA dataset, and find substantial mismatches of 26.5-54.0% and 30.8-41.8%, respectively. To diagnose the failure, we decompose tool use into two stages: an internal cognition stage that reflects whether a model believes a tool is necessary, and an execution stage that determines whether the model actually makes a tool-call action. By probing the LLM hidden states, we find that both signals are often linearly decodable, yet their probe directions become nearly orthogonal in the late-layer, last-token regime that drives the next-token action. By tracing the trajectory of samples in the two-stage process, we further discover that the majority of mismatch is concentrated in the cognition-to-action transition, not in cognition itself. These results reveal a knowing-doing gap in LLM tool-use: improving tool-use reliability requires not only better recognition of when tools are needed, but also better translation of that recognition into action.

The proliferation of large language models (LLMs) and modular skills has endowed autonomous agents with increasingly powerful capabilities. Existing frameworks typically rely on monolithic LLMs and fixed logic to interface with these skills. This gives rise to a critical bottleneck: different LLMs offer distinct advantages across diverse domains, yet current frameworks fail to exploit the complementary strengths of models and skills, thereby limiting their performance on downstream tasks. In this paper, we present Maestro (Multimodal Agent for Expert-Skill Targeted Reinforced Orchestration), a Reinforcement Learning (RL)-driven orchestration framework that reframes heterogeneous multimodal tasks as a sequential decision-making process over a hierarchical model-skill registry. Rather than consolidating all knowledge into a single model, Maestro trains a lightweight policy to dynamically compose ensembles of frozen expert models and a two-tier skill library, deciding at each step whether to invoke an external expert, which model-skill pair to select, and when to terminate. The policy is optimized via outcome-based RL, requiring no step-level supervision. We evaluate Maestro across ten representative multimodal benchmarks spanning mathematical reasoning, chart understanding, high-resolution perception, and domain-specific analysis. With only a 4B orchestrator, Maestro achieves an average accuracy of 70.1%, surpassing both GPT-5 (69.3%) and Gemini-2.5-Pro (68.7%). Crucially, the learned coordination policy generalizes to unseen models and skills without retraining: augmenting the registry with out-of-domain experts yields a 59.5% average on four challenging benchmarks, outperforming all closed-source baselines. Maestro further maintains high computational efficiency with low latency. The source code is available at https://github.com/jinyangwu/Maestro.

Large language models show promise for financial decision-making, yet deploying them as autonomous trading agents raises fundamental challenges: how to adapt instructions when rewards arrive late and obscured by market noise, how to synthesize heterogeneous information streams into coherent decisions, and how to bridge the gap between model outputs and executable market actions. We present ATLAS (Adaptive Trading with LLM AgentS), a unified multi-agent framework that integrates structured information from markets, news, and corporate fundamentals to support robust trading decisions. Within ATLAS, the central trading agent operates in an order-aware action space, ensuring that outputs correspond to executable market orders rather than abstract signals. The agent can incorporate feedback while trading using Adaptive-OPRO, a novel prompt-optimization technique that dynamically adapts the prompt by incorporating real-time, stochastic feedback, leading to increasing performance over time. Across regime-specific equity studies and multiple LLM families, Adaptive-OPRO consistently outperforms fixed prompts, while reflection-based feedback fails to provide systematic gains.

Language models (LMs) are no longer restricted to ML community, and instruction-tuned LMs have led to a rise in autonomous AI agents. As the accessibility of LMs grows, it is imperative that an understanding of their capabilities, intended usage, and development cycle also improves. Model cards are a popular practice for documenting detailed information about an ML model. To automate model card generation, we introduce a dataset of 500 question-answer pairs for 25 ML models that cover crucial aspects of the model, such as its training configurations, datasets, biases, architecture details, and training resources. We employ annotators to extract the answers from the original paper. Further, we explore the capabilities of LMs in generating model cards by answering questions. Our initial experiments with ChatGPT-3.5, LLaMa, and Galactica showcase a significant gap in the understanding of research papers by these aforementioned LMs as well as generating factual textual responses. We posit that our dataset can be used to train models to automate the generation of model cards from paper text and reduce human effort in the model card curation process. The complete dataset is available on https://osf.io/hqt7p/?view_only=3b9114e3904c4443bcd9f5c270158d37

As large language models (LLMs) evolve into autonomous agents that execute long-horizon workflows, invoking a high-capability model at every step becomes economically unsustainable. While model routing is effective for single-turn queries, agentic routing is a sequential, path-dependent problem: early mistakes compound, feedback is often at the end of the episode, and deployments often demand strict per-task spending limits. We propose Budget-Aware Agentic Routing, which selects between a cheap and an expensive model at each step to optimize the cost--success frontier and to operate under strict per-task budgets. We propose Boundary-Guided Training, which leverages two boundary policies (always-small vs.\ always-large) to build a difficulty taxonomy and to anchor learning under sparse rewards. Our approach warms start with boundary-guided SFT data synthesis via stratified sampling of cost-efficient trajectories, then applies Boundary-Guided Policy Optimization (BoPO), combining boundary-relative rewards with a reference-guided advantage to avoid degenerate cheap-failure solutions. Experiment results show that our method improves the efficiency frontier, matching strong routing baselines at substantially lower cost while demonstrating generalization to strict inference-time budget constraints. Overall, our work establishes a foundational framework for agentic routing, shifting the paradigm from static model selection to dynamic, budget-aware sequential decision-making.

Large Language Models (LLMs) are increasingly serving as autonomous agents, and their utilization of external tools via the Model Context Protocol (MCP) is considered a future trend. Current MCP evaluation sets suffer from issues such as reliance on external MCP services and a lack of difficulty awareness. To address these limitations, we propose MCPAgentBench, a benchmark based on real-world MCP definitions designed to evaluate the tool-use capabilities of agents. We construct a dataset containing authentic tasks and simulated MCP tools. The evaluation employs a dynamic sandbox environment that presents agents with candidate tool lists containing distractors, thereby testing their tool selection and discrimination abilities. Furthermore, we introduce comprehensive metrics to measure both task completion rates and execution efficiency. Experiments conducted on various latest mainstream Large Language Models reveal significant performance differences in handling complex, multi-step tool invocations. All code is open-source at Github.

Medical image segmentation is evolving from task-specific models toward generalizable frameworks. Recent research leverages Multi-modal Large Language Models (MLLMs) as autonomous agents, employing reinforcement learning with verifiable reward (RLVR) to orchestrate specialized tools like the Segment Anything Model (SAM). However, these approaches often rely on single-turn, rigid interaction strategies and lack process-level supervision during training, which hinders their ability to fully exploit the dynamic potential of interactive tools and leads to redundant actions. To bridge this gap, we propose MedSAM-Agent, a framework that reformulates interactive segmentation as a multi-step autonomous decision-making process. First, we introduce a hybrid prompting strategy for expert-curated trajectory generation, enabling the model to internalize human-like decision heuristics and adaptive refinement strategies. Furthermore, we develop a two-stage training pipeline that integrates multi-turn, end-to-end outcome verification with a clinical-fidelity process reward design to promote interaction parsimony and decision efficiency. Extensive experiments across 6 medical modalities and 21 datasets demonstrate that MedSAM-Agent achieves state-of-the-art performance, effectively unifying autonomous medical reasoning with robust, iterative optimization. Code is available https://github.com/CUHK-AIM-Group/MedSAM-Agent{here}.

Agentic AI marks a major shift in how autonomous systems reason, plan, and execute multi-step tasks. Unlike traditional single model prompting, agentic workflows integrate multiple specialized agents with different Large Language Models(LLMs), tool-augmented capabilities, orchestration logic, and external system interactions to form dynamic pipelines capable of autonomous decision-making and action. As adoption accelerates across industry and research, organizations face a central challenge: how to design, engineer, and operate production-grade agentic AI workflows that are reliable, observable, maintainable, and aligned with safety and governance requirements. This paper provides a practical, end-to-end guide for designing, developing, and deploying production-quality agentic AI systems. We introduce a structured engineering lifecycle encompassing workflow decomposition, multi-agent design patterns, Model Context Protocol(MCP), and tool integration, deterministic orchestration, Responsible-AI considerations, and environment-aware deployment strategies. We then present nine core best practices for engineering production-grade agentic AI workflows, including tool-first design over MCP, pure-function invocation, single-tool and single-responsibility agents, externalized prompt management, Responsible-AI-aligned model-consortium design, clean separation between workflow logic and MCP servers, containerized deployment for scalable operations, and adherence to the Keep it Simple, Stupid (KISS) principle to maintain simplicity and robustness. To demonstrate these principles in practice, we present a comprehensive case study: a multimodal news-analysis and media-generation workflow. By combining architectural guidance, operational patterns, and practical implementation insights, this paper offers a foundational reference to build robust, extensible, and production-ready agentic AI workflows.

Recent advances on large language models (LLMs) enable researchers and developers to build autonomous language agents that can automatically solve various tasks and interact with environments, humans, and other agents using natural language interfaces. We consider language agents as a promising direction towards artificial general intelligence and release Agents, an open-source library with the goal of opening up these advances to a wider non-specialist audience. Agents is carefully engineered to support important features including planning, memory, tool usage, multi-agent communication, and fine-grained symbolic control. Agents is user-friendly as it enables non-specialists to build, customize, test, tune, and deploy state-of-the-art autonomous language agents without much coding. The library is also research-friendly as its modularized design makes it easily extensible for researchers. Agents is available at https://github.com/aiwaves-cn/agents.

Answering Questions over Knowledge Graphs (KGQA) is key to well-functioning autonomous language agents in various real-life applications. To improve the neural-symbolic reasoning capabilities of language agents powered by Large Language Models (LLMs) in KGQA, we propose the DecompositionAlignment-Reasoning Agent (DARA) framework. DARA effectively parses questions into formal queries through a dual mechanism: high-level iterative task decomposition and low-level task grounding. Importantly, DARA can be efficiently trained with a small number of high-quality reasoning trajectories. Our experimental results demonstrate that DARA fine-tuned on LLMs (e.g. Llama-2-7B, Mistral) outperforms both in-context learning-based agents with GPT-4 and alternative fine-tuned agents, across different benchmarks in zero-shot evaluation, making such models more accessible for real-life applications. We also show that DARA attains performance comparable to state-of-the-art enumerating-and-ranking-based methods for KGQA.

Recent months have seen the emergence of a powerful new trend in which large language models (LLMs) are augmented to become autonomous language agents capable of performing objective oriented multi-step tasks on their own, rather than merely responding to queries from human users. Most existing language agents, however, are not optimized using environment-specific rewards. Although some agents enable iterative refinement through verbal feedback, they do not reason and plan in ways that are compatible with gradient-based learning from rewards. This paper introduces a principled framework for reinforcing large language agents by learning a retrospective model, which automatically tunes the language agent prompts from environment feedback through policy gradient. Specifically, our proposed agent architecture learns from rewards across multiple environments and tasks, for fine-tuning a pre-trained language model which refines the language agent prompt by summarizing the root cause of prior failed attempts and proposing action plans. Experimental results on various tasks demonstrate that the language agents improve over time and that our approach considerably outperforms baselines that do not properly leverage gradients from the environment. This demonstrates that using policy gradient optimization to improve language agents, for which we believe our work is one of the first, seems promising and can be applied to optimize other models in the agent architecture to enhance agent performances over time.

Mobile device agent based on Multimodal Large Language Models (MLLM) is becoming a popular application. In this paper, we introduce Mobile-Agent, an autonomous multi-modal mobile device agent. Mobile-Agent first leverages visual perception tools to accurately identify and locate both the visual and textual elements within the app's front-end interface. Based on the perceived vision context, it then autonomously plans and decomposes the complex operation task, and navigates the mobile Apps through operations step by step. Different from previous solutions that rely on XML files of Apps or mobile system metadata, Mobile-Agent allows for greater adaptability across diverse mobile operating environments in a vision-centric way, thereby eliminating the necessity for system-specific customizations. To assess the performance of Mobile-Agent, we introduced Mobile-Eval, a benchmark for evaluating mobile device operations. Based on Mobile-Eval, we conducted a comprehensive evaluation of Mobile-Agent. The experimental results indicate that Mobile-Agent achieved remarkable accuracy and completion rates. Even with challenging instructions, such as multi-app operations, Mobile-Agent can still complete the requirements. Code and model will be open-sourced at https://github.com/X-PLUG/MobileAgent.

Large language models (LLMs) have dramatically enhanced the field of language intelligence, as demonstrably evidenced by their formidable empirical performance across a spectrum of complex reasoning tasks. Additionally, theoretical proofs have illuminated their emergent reasoning capabilities, providing a compelling showcase of their advanced cognitive abilities in linguistic contexts. Critical to their remarkable efficacy in handling complex reasoning tasks, LLMs leverage the intriguing chain-of-thought (CoT) reasoning techniques, obliging them to formulate intermediate steps en route to deriving an answer. The CoT reasoning approach has not only exhibited proficiency in amplifying reasoning performance but also in enhancing interpretability, controllability, and flexibility. In light of these merits, recent research endeavors have extended CoT reasoning methodologies to nurture the development of autonomous language agents, which adeptly adhere to language instructions and execute actions within varied environments. This survey paper orchestrates a thorough discourse, penetrating vital research dimensions, encompassing: (i) the foundational mechanics of CoT techniques, with a focus on elucidating the circumstances and justification behind its efficacy; (ii) the paradigm shift in CoT; and (iii) the burgeoning of language agents fortified by CoT approaches. Prospective research avenues envelop explorations into generalization, efficiency, customization, scaling, and safety. This paper caters to a wide audience, including beginners seeking comprehensive knowledge of CoT reasoning and language agents, as well as experienced researchers interested in foundational mechanics and engaging in cutting-edge discussions on these topics. A repository for the related papers is available at https://github.com/Zoeyyao27/CoT-Igniting-Agent.

Large language models (LLMs) have shown remarkable potential as human-like autonomous language agents to interact with real-world environments, especially for graphical user interface (GUI) automation. However, those GUI agents require comprehensive cognition ability including exhaustive perception and reliable action response. We propose Comprehensive Cognitive LLM Agent, CoCo-Agent, with two novel approaches, comprehensive environment perception (CEP) and conditional action prediction (CAP), to systematically improve the GUI automation performance. First, CEP facilitates the GUI perception through different aspects and granularity, including screenshots and complementary detailed layouts for the visual channel and historical actions for the textual channel. Second, CAP decomposes the action prediction into sub-problems: action type prediction and action target conditioned on the action type. With our technical design, our agent achieves new state-of-the-art performance on AITW and META-GUI benchmarks, showing promising abilities in realistic scenarios. Code is available at https://github.com/xbmxb/AAgent.

Focused Ultrasound Ablation Surgery (FUAS) has emerged as a promising non-invasive therapeutic modality, valued for its safety and precision. Nevertheless, its clinical implementation entails intricate tasks such as multimodal image interpretation, personalized dose planning, and real-time intraoperative decision-making processes that demand intelligent assistance to improve efficiency and reliability. We introduce FUAS-Agents, an autonomous agent system that leverages the multimodal understanding and tool-using capabilities of large language models (LLMs). By integrating patient profiles and MRI data, FUAS-Agents orchestrates a suite of specialized medical AI tools, including segmentation, treatment dose prediction, and clinical guideline retrieval, to generate personalized treatment plans comprising MRI image, dose parameters, and therapeutic strategies. We evaluate the system in a uterine fibroid treatment scenario. Human assessment by four senior FUAS experts indicates that 82.5%, 82.5%, 87.5%, and 97.5% of the generated plans were rated 4 or above (on a 5-point scale) in terms of completeness, accuracy, fluency, and clinical compliance, respectively. These results demonstrate the potential of LLM-driven agents in enhancing decision-making across complex clinical workflows, and exemplify a translational paradigm that combines general-purpose models with specialized expert systems to solve practical challenges in vertical healthcare domains.

While the recommendation system (RS) has advanced significantly through deep learning, current RS approaches usually train and fine-tune models on task-specific datasets, limiting their generalizability to new recommendation tasks and their ability to leverage external knowledge due to model scale and data size constraints. Thus, we designed an LLM-powered autonomous recommender agent, RecMind, which is capable of leveraging external knowledge, utilizing tools with careful planning to provide zero-shot personalized recommendations. We propose a Self-Inspiring algorithm to improve the planning ability. At each intermediate step, the LLM self-inspires to consider all previously explored states to plan for the next step. This mechanism greatly improves the model's ability to comprehend and utilize historical information in planning for recommendation. We evaluate RecMind's performance in various recommendation scenarios. Our experiment shows that RecMind outperforms existing zero/few-shot LLM-based recommendation baseline methods in various tasks and achieves comparable performance to a fully trained recommendation model P5.

Iterative human engagement is a common and effective means of leveraging the advanced language processing power of large language models (LLMs). Using well-structured prompts in a conversational manner, human users can effectively influence an LLM to develop more thoughtful and accurate responses. Motivated by this insight, we propose the Iteration of Thought (IoT) framework for enhancing LLM responses by generating "thought"-provoking prompts vis a vis an input query and the current iteration of an LLM's response. Unlike static or semi-static approaches, e.g. Chain of Thought (CoT) or Tree of Thoughts (ToT), IoT adapts its reasoning path dynamically, based on evolving context, and without generating alternate explorative thoughts which are ultimately discarded. The three components of the IoT framework are (1) an Inner Dialogue Agent (IDA) responsible for generating instructive, context-specific prompts; (2) an LLM Agent (LLMA) that processes these prompts to refine its responses; and (3) an iterative prompting loop that implements a conversation between the former two components. We introduce two variants of our framework: Autonomous Iteration of Thought (AIoT), where an LLM decides when to stop iterating, and Guided Iteration of Thought (GIoT), which always forces a fixed number iterations. We investigate the performance of IoT across various datasets, spanning complex reasoning tasks from the GPQA dataset, explorative problem-solving in Game of 24, puzzle solving in Mini Crosswords, and multi-hop question answering from the HotpotQA dataset. Our results show that IoT represents a viable paradigm for autonomous response refinement in LLMs, showcasing significant improvements over CoT and thereby enabling more adaptive and efficient reasoning systems that minimize human intervention.

The convergence of large language models and agents is catalyzing a new era of scientific discovery: Agentic Science. While the scientific method is inherently iterative, existing agent frameworks are predominantly static, narrowly scoped, and lack the capacity to learn from trial and error. To bridge this gap, we present EvoMaster, a foundational evolving agent framework engineered specifically for Agentic Science at Scale. Driven by the core principle of continuous self-evolution, EvoMaster empowers agents to iteratively refine hypotheses, self-critique, and progressively accumulate knowledge across experimental cycles, faithfully mirroring human scientific inquiry. Crucially, as a domain-agnostic base harness, EvoMaster is exceptionally easy to scale up -- enabling developers to build and deploy highly capable, self-evolving scientific agents for arbitrary disciplines in approximately 100 lines of code. Built upon EvoMaster, we incubated the SciMaster ecosystem across domains such as machine learning, physics, and general science. Evaluations on four authoritative benchmarks (Humanity's Last Exam, MLE-Bench Lite, BrowseComp, and FrontierScience) demonstrate that EvoMaster achieves state-of-the-art scores of 41.1%, 75.8%, 73.3%, and 53.3%, respectively. It comprehensively outperforms the general-purpose baseline OpenClaw with relative improvements ranging from +159% to +316%, robustly validating its efficacy and generality as the premier foundational framework for the next generation of autonomous scientific discovery. EvoMaster is available at https://github.com/sjtu-sai-agents/EvoMaster.

The pursuit of human-level artificial intelligence (AI) has significantly advanced the development of autonomous agents and Large Language Models (LLMs). LLMs are now widely utilized as decision-making agents for their ability to interpret instructions, manage sequential tasks, and adapt through feedback. This review examines recent developments in employing LLMs as autonomous agents and tool users and comprises seven research questions. We only used the papers published between 2023 and 2025 in conferences of the A* and A rank and Q1 journals. A structured analysis of the LLM agents' architectural design principles, dividing their applications into single-agent and multi-agent systems, and strategies for integrating external tools is presented. In addition, the cognitive mechanisms of LLM, including reasoning, planning, and memory, and the impact of prompting methods and fine-tuning procedures on agent performance are also investigated. Furthermore, we evaluated current benchmarks and assessment protocols and have provided an analysis of 68 publicly available datasets to assess the performance of LLM-based agents in various tasks. In conducting this review, we have identified critical findings on verifiable reasoning of LLMs, the capacity for self-improvement, and the personalization of LLM-based agents. Finally, we have discussed ten future research directions to overcome these gaps.

The integration of a complex set of Electronic Design Automation (EDA) tools to enhance interoperability is a critical concern for circuit designers. Recent advancements in large language models (LLMs) have showcased their exceptional capabilities in natural language processing and comprehension, offering a novel approach to interfacing with EDA tools. This research paper introduces ChatEDA, an autonomous agent for EDA empowered by a large language model, AutoMage, complemented by EDA tools serving as executors. ChatEDA streamlines the design flow from the Register-Transfer Level (RTL) to the Graphic Data System Version II (GDSII) by effectively managing task planning, script generation, and task execution. Through comprehensive experimental evaluations, ChatEDA has demonstrated its proficiency in handling diverse requirements, and our fine-tuned AutoMage model has exhibited superior performance compared to GPT-4 and other similar LLMs.

As AI systems increasingly assume roles where trust and alignment with human values are essential, understanding when and why they engage in deception has become a critical research priority. We introduce The Traitors, a multi-agent simulation framework inspired by social deduction games, designed to probe deception, trust formation, and strategic communication among large language model (LLM) agents under asymmetric information. A minority of agents the traitors seek to mislead the majority, while the faithful must infer hidden identities through dialogue and reasoning. Our contributions are: (1) we ground the environment in formal frameworks from game theory, behavioral economics, and social cognition; (2) we develop a suite of evaluation metrics capturing deception success, trust dynamics, and collective inference quality; (3) we implement a fully autonomous simulation platform where LLMs reason over persistent memory and evolving social dynamics, with support for heterogeneous agent populations, specialized traits, and adaptive behaviors. Our initial experiments across DeepSeek-V3, GPT-4o-mini, and GPT-4o (10 runs per model) reveal a notable asymmetry: advanced models like GPT-4o demonstrate superior deceptive capabilities yet exhibit disproportionate vulnerability to others' falsehoods. This suggests deception skills may scale faster than detection abilities. Overall, The Traitors provides a focused, configurable testbed for investigating LLM behavior in socially nuanced interactions. We position this work as a contribution toward more rigorous research on deception mechanisms, alignment challenges, and the broader social reliability of AI systems.

Reasoning is a fundamental cognitive process underlying inference, problem-solving, and decision-making. While large language models (LLMs) demonstrate strong reasoning capabilities in closed-world settings, they struggle in open-ended and dynamic environments. Agentic reasoning marks a paradigm shift by reframing LLMs as autonomous agents that plan, act, and learn through continual interaction. In this survey, we organize agentic reasoning along three complementary dimensions. First, we characterize environmental dynamics through three layers: foundational agentic reasoning, which establishes core single-agent capabilities including planning, tool use, and search in stable environments; self-evolving agentic reasoning, which studies how agents refine these capabilities through feedback, memory, and adaptation; and collective multi-agent reasoning, which extends intelligence to collaborative settings involving coordination, knowledge sharing, and shared goals. Across these layers, we distinguish in-context reasoning, which scales test-time interaction through structured orchestration, from post-training reasoning, which optimizes behaviors via reinforcement learning and supervised fine-tuning. We further review representative agentic reasoning frameworks across real-world applications and benchmarks, including science, robotics, healthcare, autonomous research, and mathematics. This survey synthesizes agentic reasoning methods into a unified roadmap bridging thought and action, and outlines open challenges and future directions, including personalization, long-horizon interaction, world modeling, scalable multi-agent training, and governance for real-world deployment.

We introduce HackSynth, a novel Large Language Model (LLM)-based agent capable of autonomous penetration testing. HackSynth's dual-module architecture includes a Planner and a Summarizer, which enable it to generate commands and process feedback iteratively. To benchmark HackSynth, we propose two new Capture The Flag (CTF)-based benchmark sets utilizing the popular platforms PicoCTF and OverTheWire. These benchmarks include two hundred challenges across diverse domains and difficulties, providing a standardized framework for evaluating LLM-based penetration testing agents. Based on these benchmarks, extensive experiments are presented, analyzing the core parameters of HackSynth, including creativity (temperature and top-p) and token utilization. Multiple open source and proprietary LLMs were used to measure the agent's capabilities. The experiments show that the agent performed best with the GPT-4o model, better than what the GPT-4o's system card suggests. We also discuss the safety and predictability of HackSynth's actions. Our findings indicate the potential of LLM-based agents in advancing autonomous penetration testing and the importance of robust safeguards. HackSynth and the benchmarks are publicly available to foster research on autonomous cybersecurity solutions.

Recent research has shown that LLM performance on reasoning tasks can be enhanced by scaling test-time compute. One promising approach, particularly with decomposable problems, involves arranging intermediate solutions as a graph on which transformations are performed to explore the solution space. However, prior works rely on pre-determined, task-specific transformation schedules which are subject to a set of searched hyperparameters. In this work, we view thought graph transformations as actions in a Markov decision process, and implement policy agents to drive effective action policies for the underlying reasoning LLM agent. In particular, we investigate the ability for another LLM to act as a policy agent on thought graph environments and introduce ARIES, a multi-agent architecture for reasoning with LLMs. In ARIES, reasoning LLM agents solve decomposed subproblems, while policy LLM agents maintain visibility of the thought graph states, and dynamically adapt the problem-solving strategy. Through extensive experiments, we observe that using off-the-shelf LLMs as policy agents with no supervised fine-tuning (SFT) can yield up to 29% higher accuracy on HumanEval relative to static transformation schedules, as well as reducing inference costs by 35% and avoid any search requirements. We also conduct a thorough analysis of observed failure modes, highlighting that limitations on LLM sizes and the depth of problem decomposition can be seen as challenges to scaling LLM-guided reasoning.

The evolution of Large Language Models (LLMs) into autonomous agents necessitates the management of extensive, dynamic contexts. Current benchmarks, however, remain largely static, relying on passive retrieval tasks that fail to simulate the complexities of agent-environment interaction, such as non-linear reasoning and iterative feedback. To address this, we introduce AgentLongBench, which evaluates agents through simulated environment rollouts based on Lateral Thinking Puzzles. This framework generates rigorous interaction trajectories across knowledge-intensive and knowledge-free scenarios. Experiments with state-of-the-art models and memory systems (32K to 4M tokens) expose a critical weakness: while adept at static retrieval, agents struggle with the dynamic information synthesis essential for workflows. Our analysis indicates that this degradation is driven by the minimum number of tokens required to resolve a query. This factor explains why the high information density inherent in massive tool responses poses a significantly greater challenge than the memory fragmentation typical of long-turn dialogues.

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

Reinforcement learning is increasingly used for code-centric tasks. These tasks include code generation, summarization, understanding, repair, testing, and optimization. This trend is growing faster with large language models and autonomous agents. A key challenge is how to design reward signals that make sense for software. In many RL problems, the reward is a clear number. In software, this is often not possible. The goal is rarely a single numeric objective. Instead, rewards are usually proxies. Common proxies check if the code compiles, passes tests, or satisfies quality metrics. Many reward designs have been proposed for code-related tasks. However, the work is scattered across areas and papers. There is no single survey that brings these approaches together and shows the full landscape of reward design for RL in software. In this survey, we provide the first systematic and comprehensive review of reward engineering for RL in software tasks. We focus on existing methods and techniques. We structure the literature along three complementary dimensions, summarizing the reward-design choices within each. We conclude with challenges and recommendations in the reward design space for SE tasks.

The rapid advancement of artificial intelligence (AI) agents has catalyzed the transition from static language models to autonomous agents capable of tool use, long-term planning, and social interaction. Moltbook, the first social network designed exclusively for AI agents, has experienced viral growth in early 2026. To understand the behavior of AI agents in the agent-native community, in this paper, we present a large-scale empirical analysis of Moltbook leveraging a dataset of 44,411 posts and 12,209 sub-communities ("submolts") collected prior to February 1, 2026. Leveraging a topic taxonomy with nine content categories and a five-level toxicity scale, we systematically analyze the topics and risks of agent discussions. Our analysis answers three questions: what topics do agents discuss (RQ1), how risk varies by topic (RQ2), and how topics and toxicity evolve over time (RQ3). We find that Moltbook exhibits explosive growth and rapid diversification, moving beyond early social interaction into viewpoint, incentive-driven, promotional, and political discourse. The attention of agents increasingly concentrates in centralized hubs and around polarizing, platform-native narratives. Toxicity is strongly topic-dependent: incentive- and governance-centric categories contribute a disproportionate share of risky content, including religion-like coordination rhetoric and anti-humanity ideology. Moreover, bursty automation by a small number of agents can produce flooding at sub-minute intervals, distorting discourse and stressing platform stability. Overall, our study underscores the need for topic-sensitive monitoring and platform-level safeguards in agent social networks.