Daily Papers

Large language model (LLM) agents are increasingly tasked with complex real-world analysis (e.g., in financial forecasting, scientific discovery), yet their reasoning suffers from stochastic instability and lacks a verifiable, compositional structure. To address this, we introduce Analytica, a novel agent architecture built on the principle of Soft Propositional Reasoning (SPR). SPR reframes complex analysis as a structured process of estimating the soft truth values of different outcome propositions, allowing us to formally model and minimize the estimation error in terms of its bias and variance. Analytica operationalizes this through a parallel, divide-and-conquer framework that systematically reduces both sources of error. To reduce bias, problems are first decomposed into a tree of subpropositions, and tool-equipped LLM grounder agents are employed, including a novel Jupyter Notebook agent for data-driven analysis, that help to validate and score facts. To reduce variance, Analytica recursively synthesizes these grounded leaves using robust linear models that average out stochastic noise with superior efficiency, scalability, and enable interactive "what-if" scenario analysis. Our theoretical and empirical results on economic, financial, and political forecasting tasks show that Analytica improves 15.84% accuracy on average over diverse base models, achieving 71.06% accuracy with the lowest variance of 6.02% when working with a Deep Research grounder. Our Jupyter Notebook grounder shows strong cost-effectiveness that achieves a close 70.11% accuracy with 90.35% less cost and 52.85% less time. Analytica also exhibits highly noise-resilient and stable performance growth as the analysis depth increases, with a near-linear time complexity, as well as good adaptivity to open-weight LLMs and scientific domains.

3D visual grounding is a critical skill for household robots, enabling them to navigate, manipulate objects, and answer questions based on their environment. While existing approaches often rely on extensive labeled data or exhibit limitations in handling complex language queries, we propose LLM-Grounder, a novel zero-shot, open-vocabulary, Large Language Model (LLM)-based 3D visual grounding pipeline. LLM-Grounder utilizes an LLM to decompose complex natural language queries into semantic constituents and employs a visual grounding tool, such as OpenScene or LERF, to identify objects in a 3D scene. The LLM then evaluates the spatial and commonsense relations among the proposed objects to make a final grounding decision. Our method does not require any labeled training data and can generalize to novel 3D scenes and arbitrary text queries. We evaluate LLM-Grounder on the ScanRefer benchmark and demonstrate state-of-the-art zero-shot grounding accuracy. Our findings indicate that LLMs significantly improve the grounding capability, especially for complex language queries, making LLM-Grounder an effective approach for 3D vision-language tasks in robotics. Videos and interactive demos can be found on the project website https://chat-with-nerf.github.io/ .

Tool-using LLM agents still struggle in open-world settings with large tool pools, long-horizon objectives, wild constraints, and unreliable tool states. For scalable and realistic training and testing, we introduce an open-world tool-using environment, built on 5,571 format unified tools across 204 commonly used apps. It includes a task creation engine that synthesizes long-horizon, multi-tool workflows with wild constraints, and a state controller that injects interruptions and failures to stress-test robustness. On top of this environment, we develop a tool select-then-execute agent framework with a planner-actor decomposition to separate deliberate reasoning and self-correction from step-wise execution. Comprehensive evaluation of state-of-the-art LLMs reveals the misalignment between tool planning and execution abilities, the constraint following weakness of existing LLMs, and DeepSeek-v3.2's strongest robustness. Finally, we collect 1,170 trajectories from our environment to fine-tune LLMs, achieving superior performance to baselines using 119k samples, indicating the environment's value as both a realistic benchmark and a data engine for tool-using agents. Our code and data will be publicly released.

Tool-augmented LLMs are a promising approach to create AI agents that can have realistic conversations, follow procedures, and call appropriate functions. However, evaluating them is challenging due to the diversity of possible conversations, and existing datasets focus only on single interactions and function-calling. We present a test generation pipeline to evaluate LLMs as conversational AI agents. Our framework uses LLMs to generate diverse tests grounded on user-defined procedures. For that, we use intermediate graphs to limit the LLM test generator's tendency to hallucinate content that is not grounded on input procedures, and enforces high coverage of the possible conversations. Additionally, we put forward ALMITA, a manually curated dataset for evaluating AI agents in customer support, and use it to evaluate existing LLMs. Our results show that while tool-augmented LLMs perform well in single interactions, they often struggle to handle complete conversations. While our focus is on customer support, our method is general and capable of AI agents for different domains.

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy discovery remains a complex challenge, often requiring expertise in the various domains of materials science, thermodynamic simulations, and experimental analysis. Large Language Model (LLM) enabled agents can facilitate this endeavor by utilizing their extensive knowledge base to dispatch tool calls via Model Context Protocol (MCP) to perform actions such as Thermo-Calc property diagram calculations and lack of fusion process map generation. In addition, the multi-agent system developed in this work is able to effectively reason through complex user prompts and provide analysis on the printability of proposed alloys. These agents can dynamically adjust their task trajectory to the outcomes of tool call results, effectively enabling autonomous decision-making in practical environments. This work aims to utilize LLM enabled agents to automate and accelerate the task of alloy discovery within the field of additive manufacturing and showcase the benefits of adopting this multi-agent system.

While LLM-based agents can interact with environments via invoking external tools, their expanded capabilities also amplify security risks. Monitoring step-level tool invocation behaviors in real time and proactively intervening before unsafe execution is critical for agent deployment, yet remains under-explored. In this work, we first construct TS-Bench, a novel benchmark for step-level tool invocation safety detection in LLM agents. We then develop a guardrail model, TS-Guard, using multi-task reinforcement learning. The model proactively detects unsafe tool invocation actions before execution by reasoning over the interaction history. It assesses request harmfulness and action-attack correlations, producing interpretable and generalizable safety judgments and feedback. Furthermore, we introduce TS-Flow, a guardrail-feedback-driven reasoning framework for LLM agents, which reduces harmful tool invocations of ReAct-style agents by 65 percent on average and improves benign task completion by approximately 10 percent under prompt injection attacks.

Adapting LLM agents to domain-specific tool calling remains notably brittle under evolving interfaces. Prompt and schema engineering is easy to deploy but often fragile under distribution shift and strict parsers, while continual parameter-efficient fine-tuning improves reliability at the cost of training, maintenance, and potential forgetting. We identify a critical Lazy Agent failure mode where tool necessity is nearly perfectly decodable from mid-layer activations, yet the model remains conservative in entering tool mode, revealing a representation-behavior gap. We propose Activation Steering Adapter (ASA), a training-free, inference-time controller that performs a single-shot mid-layer intervention and targets tool domains via a router-conditioned mixture of steering vectors with a probe-guided signed gate to amplify true intent while suppressing spurious triggers. On MTU-Bench with Qwen2.5-1.5B, ASA improves strict tool-use F1 from 0.18 to 0.50 while reducing the false positive rate from 0.15 to 0.05, using only about 20KB of portable assets and no weight updates.

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.

Recent progress in large language models (LLMs) has enabled tool-augmented agents capable of solving complex real-world tasks through step-by-step reasoning. However, existing evaluations often focus on general-purpose or multimodal scenarios, leaving a gap in domain-specific benchmarks that assess tool-use capabilities in complex remote sensing use cases. We present ThinkGeo, an agentic benchmark designed to evaluate LLM-driven agents on remote sensing tasks via structured tool use and multi-step planning. Inspired by tool-interaction paradigms, ThinkGeo includes human-curated queries spanning a wide range of real-world applications such as urban planning, disaster assessment and change analysis, environmental monitoring, transportation analysis, aviation monitoring, recreational infrastructure, and industrial site analysis. Queries are grounded in satellite or aerial imagery, including both optical RGB and SAR data, and require agents to reason through a diverse toolset. We implement a ReAct-style interaction loop and evaluate both open and closed-source LLMs (e.g., GPT-4o, Qwen2.5) on 486 structured agentic tasks with 1,778 expert-verified reasoning steps. The benchmark reports both step-wise execution metrics and final answer correctness. Our analysis reveals notable disparities in tool accuracy and planning consistency across models. ThinkGeo provides the first extensive testbed for evaluating how tool-enabled LLMs handle spatial reasoning in remote sensing.

Recent advancements in Large Language Models (LLMs) and the introduction of the Model Context Protocol (MCP) have significantly expanded LLM agents' capability to interact dynamically with external tools and APIs. However, existing tool selection frameworks do not integrate MCP servers, instead relying heavily on error-prone manual updates to monolithic local tool repositories, leading to duplication, inconsistencies, and inefficiencies. Additionally, current approaches abstract tool selection before the LLM agent is invoked, limiting its autonomy and hindering dynamic re-querying capabilities during multi-turn interactions. To address these issues, we introduce ScaleMCP, a novel tool selection approach that dynamically equips LLM agents with a MCP tool retriever, giving agents the autonomy to add tools into their memory, as well as an auto-synchronizing tool storage system pipeline through CRUD (create, read, update, delete) operations with MCP servers as the single source of truth. We also propose a novel embedding strategy, Tool Document Weighted Average (TDWA), designed to selectively emphasize critical components of tool documents (e.g. tool name or synthetic questions) during the embedding process. Comprehensive evaluations conducted on a created dataset of 5,000 financial metric MCP servers, across 10 LLM models, 5 embedding models, and 5 retriever types, demonstrate substantial improvements in tool retrieval and agent invocation performance, emphasizing ScaleMCP's effectiveness in scalable, dynamic tool selection and invocation.

LLM agents are an emerging form of AI systems where large language models (LLMs) serve as the central component, utilizing a diverse set of tools to complete user-assigned tasks. Despite their great potential, LLM agents pose significant security risks. When interacting with the external world, they may encounter malicious commands from attackers, leading to the execution of dangerous actions. A promising way to address this is by enforcing the principle of least privilege: allowing only essential actions for task completion while blocking unnecessary ones. However, achieving this is challenging, as it requires covering diverse agent scenarios while preserving both security and utility. We introduce Progent, the first privilege control mechanism for LLM agents. At its core is a domain-specific language for flexibly expressing privilege control policies applied during agent execution. These policies provide fine-grained constraints over tool calls, deciding when tool calls are permissible and specifying fallbacks if they are not. This enables agent developers and users to craft suitable policies for their specific use cases and enforce them deterministically to guarantee security. Thanks to its modular design, integrating Progent does not alter agent internals and requires only minimal changes to agent implementation, enhancing its practicality and potential for widespread adoption. To automate policy writing, we leverage LLMs to generate policies based on user queries, which are then updated dynamically for improved security and utility. Our extensive evaluation shows that it enables strong security while preserving high utility across three distinct scenarios or benchmarks: AgentDojo, ASB, and AgentPoison. Furthermore, we perform an in-depth analysis, showcasing the effectiveness of its core components and the resilience of its automated policy generation against adaptive attacks.

The booming success of LLMs initiates rapid development in LLM agents. Though the foundation of an LLM agent is the generative model, it is critical to devise the optimal reasoning strategies and agent architectures. Accordingly, LLM agent research advances from the simple chain-of-thought prompting to more complex ReAct and Reflection reasoning strategy; agent architecture also evolves from single agent generation to multi-agent conversation, as well as multi-LLM multi-agent group chat. However, with the existing intricate frameworks and libraries, creating and evaluating new reasoning strategies and agent architectures has become a complex challenge, which hinders research investigation into LLM agents. Thus, we open-source a new AI agent library, AgentLite, which simplifies this process by offering a lightweight, user-friendly platform for innovating LLM agent reasoning, architectures, and applications with ease. AgentLite is a task-oriented framework designed to enhance the ability of agents to break down tasks and facilitate the development of multi-agent systems. Furthermore, we introduce multiple practical applications developed with AgentLite to demonstrate its convenience and flexibility. Get started now at: https://github.com/SalesforceAIResearch/AgentLite.

Large language model (LLM)-based AI agents extend LLM capabilities by enabling access to tools such as data sources, APIs, search engines, code sandboxes, and even other agents. While this empowers agents to perform complex tasks, LLMs may invoke unintended tool interactions and introduce risks, such as leaking sensitive data or overwriting critical records, which are unacceptable in enterprise contexts. Current approaches to mitigate these risks, such as model-based safeguards, enhance agents' reliability but cannot guarantee system safety. Methods like information flow control (IFC) and temporal constraints aim to provide guarantees but often require extensive human annotation. We propose a process that starts with applying System-Theoretic Process Analysis (STPA) to identify hazards in agent workflows, derive safety requirements, and formalize them as enforceable specifications on data flows and tool sequences. To enable this, we introduce a capability-enhanced Model Context Protocol (MCP) framework that requires structured labels on capabilities, confidentiality, and trust level. Together, these contributions aim to shift LLM-based agent safety from ad hoc reliability fixes to proactive guardrails with formal guarantees, while reducing dependence on user confirmation and making autonomy a deliberate design choice.

Large language models (LLMs) have garnered significant attention due to their impressive natural language processing (NLP) capabilities. Recently, many studies have focused on the tool utilization ability of LLMs. They primarily investigated how LLMs effectively collaborate with given specific tools. However, in scenarios where LLMs serve as intelligent agents, as seen in applications like AutoGPT and MetaGPT, LLMs are expected to engage in intricate decision-making processes that involve deciding whether to employ a tool and selecting the most suitable tool(s) from a collection of available tools to fulfill user requests. Therefore, in this paper, we introduce MetaTool, a benchmark designed to evaluate whether LLMs have tool usage awareness and can correctly choose tools. Specifically, we create a dataset called ToolE within the benchmark. This dataset contains various types of user queries in the form of prompts that trigger LLMs to use tools, including both single-tool and multi-tool scenarios. Subsequently, we set the tasks for both tool usage awareness and tool selection. We define four subtasks from different perspectives in tool selection, including tool selection with similar choices, tool selection in specific scenarios, tool selection with possible reliability issues, and multi-tool selection. We conduct experiments involving nine popular LLMs and find that the majority of them still struggle to effectively select tools, highlighting the existing gaps between LLMs and genuine intelligent agents. However, through the error analysis, we found there is still significant room for improvement. Finally, we conclude with insights for tool developers that follow ChatGPT to provide detailed descriptions that can enhance the tool selection performance of LLMs.

LLM agents are increasingly deployed in long-horizon, complex environments to solve challenging problems, but this expansion exposes them to long-horizon attacks that exploit multi-turn user-agent-environment interactions to achieve objectives infeasible in single-turn settings. To measure agent vulnerabilities to such risks, we present AgentLAB, the first benchmark dedicated to evaluating LLM agent susceptibility to adaptive, long-horizon attacks. Currently, AgentLAB supports five novel attack types including intent hijacking, tool chaining, task injection, objective drifting, and memory poisoning, spanning 28 realistic agentic environments, and 644 security test cases. Leveraging AgentLAB, we evaluate representative LLM agents and find that they remain highly susceptible to long-horizon attacks; moreover, defenses designed for single-turn interactions fail to reliably mitigate long-horizon threats. We anticipate that AgentLAB will serve as a valuable benchmark for tracking progress on securing LLM agents in practical settings. The benchmark is publicly available at https://tanqiujiang.github.io/AgentLAB_main.

Large Language Model (LLM) agents have shown great potential for solving real-world problems and promise to be a solution for tasks automation in industry. However, more benchmarks are needed to systematically evaluate automation agents from an industrial perspective, for example, in Civil Engineering. Therefore, we propose DrafterBench for the comprehensive evaluation of LLM agents in the context of technical drawing revision, a representation task in civil engineering. DrafterBench contains twelve types of tasks summarized from real-world drawing files, with 46 customized functions/tools and 1920 tasks in total. DrafterBench is an open-source benchmark to rigorously test AI agents' proficiency in interpreting intricate and long-context instructions, leveraging prior knowledge, and adapting to dynamic instruction quality via implicit policy awareness. The toolkit comprehensively assesses distinct capabilities in structured data comprehension, function execution, instruction following, and critical reasoning. DrafterBench offers detailed analysis of task accuracy and error statistics, aiming to provide deeper insight into agent capabilities and identify improvement targets for integrating LLMs in engineering applications. Our benchmark is available at https://github.com/Eason-Li-AIS/DrafterBench, with the test set hosted at https://huggingface.co/datasets/Eason666/DrafterBench.

Tool-augmented LLM agents increasingly rely on multi-step, multi-tool workflows to complete real tasks. This design expands the attack surface, because data produced by one tool can be persisted and later reused as input to another tool, enabling exploitable source-to-sink dataflows that only emerge through tool composition. We study this risk as multi-tool vulnerabilities in LLM agents, and show that existing discovery efforts focused on single-tool or single-hop testing miss these long-horizon behaviors and provide limited debugging value. We present ChainFuzzer, a greybox framework for discovering and reproducing multi-tool vulnerabilities with auditable evidence. ChainFuzzer (i) identifies high-impact operations with strict source-to-sink dataflow evidence and extracts plausible upstream candidate tool chains based on cross-tool dependencies, (ii) uses Trace-guided Prompt Solving (TPS) to synthesize stable prompts that reliably drive the agent to execute target chains, and (iii) performs guardrail-aware fuzzing to reproduce vulnerabilities under LLM guardrails via payload mutation and sink-specific oracles. We evaluate ChainFuzzer on 20 popular open-source LLM agent apps (998 tools). ChainFuzzer extracts 2,388 candidate tool chains and synthesizes 2,213 stable prompts, confirming 365 unique, reproducible vulnerabilities across 19/20 apps (302 require multi-tool execution). Component evaluation shows tool-chain extraction achieves 96.49% edge precision and 91.50% strict chain precision; TPS increases chain reachability from 27.05% to 95.45%; guardrail-aware fuzzing boosts payload-level trigger rate from 18.20% to 88.60%. Overall, ChainFuzzer achieves 3.02 vulnerabilities per 1M tokens, providing a practical foundation for testing and hardening real-world multi-tool agent systems.

Recent research shows the potential of enhancing the problem-solving ability of large language models (LLMs) through the use of external tools. However, prior work along this line depends on the availability of existing tools. In this work, we take an initial step towards removing this dependency by proposing a closed-loop framework, referred to as LLMs As Tool Makers (LATM), where LLMs create their own reusable tools for problem-solving. Our approach consists of two key phases: 1) tool making: an LLM acts as the tool maker that crafts tools for given tasks, where a tool is implemented as a Python utility function. 2) tool using: an LLM acts as the tool user, which applies the tool built by the tool maker for problem-solving. The tool user can be either the same or a different LLM from the tool maker. Tool-making enables an LLM to continually generate tools that can be applied to different requests so that future requests can call the corresponding APIs when beneficial for solving the tasks. Furthermore, the division of labor among LLMs for tool-making and tool-using phases introduces the opportunity to achieve cost effectiveness without degrading the quality of generated tools and problem solutions. For example, recognizing that tool-making demands more sophisticated capabilities than tool-using, we can apply a powerful yet resource-intensive model as the tool maker, and a lightweight while cost-effective model as the tool user. We validate the effectiveness of our approach across a variety of complex reasoning tasks, including Big-Bench tasks. With GPT-4 as the tool maker and GPT-3.5 as the tool user, LATM can achieve performance that is on par with using GPT-4 for both tool making and tool using, while the inference cost is significantly reduced.

Tool selection is a key component of LLM agents. A popular approach follows a two-step process - retrieval and selection - to pick the most appropriate tool from a tool library for a given task. In this work, we introduce ToolHijacker, a novel prompt injection attack targeting tool selection in no-box scenarios. ToolHijacker injects a malicious tool document into the tool library to manipulate the LLM agent's tool selection process, compelling it to consistently choose the attacker's malicious tool for an attacker-chosen target task. Specifically, we formulate the crafting of such tool documents as an optimization problem and propose a two-phase optimization strategy to solve it. Our extensive experimental evaluation shows that ToolHijacker is highly effective, significantly outperforming existing manual-based and automated prompt injection attacks when applied to tool selection. Moreover, we explore various defenses, including prevention-based defenses (StruQ and SecAlign) and detection-based defenses (known-answer detection, DataSentinel, perplexity detection, and perplexity windowed detection). Our experimental results indicate that these defenses are insufficient, highlighting the urgent need for developing new defense strategies.

To achieve faithful reasoning that aligns with human expectations, large language models (LLMs) need to ground their reasoning to real-world knowledge (e.g., web facts, math and physical rules). Tools help LLMs access this external knowledge, but there remains challenges for fine-tuning LLM agents (e.g., Toolformer) to invoke tools in multi-step reasoning problems, where inter-connected tool calls require holistic and efficient tool usage planning. In this work, we propose a new method for LLMs to better leverage tools in multi-step reasoning. Our method, Chain-of-Abstraction (CoA), trains LLMs to first decode reasoning chains with abstract placeholders, and then call domain tools to reify each reasoning chain by filling in specific knowledge. This planning with abstract chains enables LLMs to learn more general reasoning strategies, which are robust to shifts of domain knowledge (e.g., math results) relevant to different reasoning questions. It also allows LLMs to perform decoding and calling of external tools in parallel, which avoids the inference delay caused by waiting for tool responses. In mathematical reasoning and Wiki QA domains, we show that our method consistently outperforms previous chain-of-thought and tool-augmented baselines on both in-distribution and out-of-distribution test sets, with an average ~6% absolute QA accuracy improvement. LLM agents trained with our method also show more efficient tool use, with inference speed being on average ~1.4x faster than baseline tool-augmented LLMs.

Tool agents--LLM-based systems that interact with external APIs--offer a way to execute real-world tasks. However, as tasks become increasingly complex, these agents struggle to identify and call the correct APIs in the proper order. To tackle this problem, we investigate converting API documentation into a structured API graph that captures API dependencies and leveraging it for multi-tool queries that require compositional API calls. To support this, we introduce In-N-Out, the first expert-annotated dataset of API graphs built from two real-world API benchmarks and their documentation. Using In-N-Out significantly improves performance on both tool retrieval and multi-tool query generation, nearly doubling that of LLMs using documentation alone. Moreover, graphs generated by models fine-tuned on In-N-Out close 90% of this gap, showing that our dataset helps models learn to comprehend API documentation and parameter relationships. Our findings highlight the promise of using explicit API graphs for tool agents and the utility of In-N-Out as a valuable resource. We release our dataset and code at https://github.com/holi-lab/In-N-Out-API-Graph.

LLM-based agents are becoming increasingly capable, yet their safety lags behind. This creates a gap between what agents can do and should do. This gap widens as agents engage in multi-turn interactions and employ diverse tools, introducing new risks overlooked by existing benchmarks. To systematically scale safety testing into multi-turn, tool-realistic settings, we propose a principled taxonomy that transforms single-turn harmful tasks into multi-turn attack sequences. Using this taxonomy, we construct MT-AgentRisk (Multi-Turn Agent Risk Benchmark), the first benchmark to evaluate multi-turn tool-using agent safety. Our experiments reveal substantial safety degradation: the Attack Success Rate (ASR) increases by 16% on average across open and closed models in multi-turn settings. To close this gap, we propose ToolShield, a training-free, tool-agnostic, self-exploration defense: when encountering a new tool, the agent autonomously generates test cases, executes them to observe downstream effects, and distills safety experiences for deployment. Experiments show that ToolShield effectively reduces ASR by 30% on average in multi-turn interactions. Our code is available at https://github.com/CHATS-lab/ToolShield.

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

Large language models (LLMs) have demonstrated remarkable tool-use capabilities, yet their application to power system operations remains largely unexplored. This paper presents Grid-Mind, a domain-specific LLM agent that interprets natural-language interconnection requests and autonomously orchestrates multi-fidelity power system simulations. The LLM-first architecture positions the language model as the central decision-making entity, employing an eleven-tool registry to execute Connection Impact Assessment (CIA) studies spanning steadystate power flow, N-1 contingency analysis, transient stability, and electromagnetic transient screening. A violation inspector grounds every decision in quantitative simulation outputs, while a three-layer anti-hallucination defence mitigates numerical fabrication risk through forced capacity-tool routing and post-response grounding validation. A prompt-level self-correction mechanism extracts distilled lessons from agent failures, yielding progressive accuracy improvements without model retraining. End-to-end evaluation on 50 IEEE 118-bus scenarios (DeepSeek-V3, 2026-02-23) achieved 84.0% tool-selection accuracy and 100% parsing accuracy. A separate 56-scenario self-correction suite passed 49 of 56 cases (87.5%) with a mean score of 89.3. These results establish a reproducible baseline for continued refinement while maintaining auditable, simulation-grounded decision support.

Large language models (LLMs) demonstrate strong potential as agents for tool invocation due to their advanced comprehension and planning capabilities. Users increasingly rely on LLM-based agents to solve complex missions through iterative interactions. However, existing benchmarks predominantly access agents in single-mission scenarios, failing to capture real-world complexity. To bridge this gap, we propose the Multi-Mission Tool Bench. In the benchmark, each test case comprises multiple interrelated missions. This design requires agents to dynamically adapt to evolving demands. Moreover, the proposed benchmark explores all possible mission-switching patterns within a fixed mission number. Specifically, we propose a multi-agent data generation framework to construct the benchmark. We also propose a novel method to evaluate the accuracy and efficiency of agent decisions with dynamic decision trees. Experiments on diverse open-source and closed-source LLMs reveal critical factors influencing agent robustness and provide actionable insights to the tool invocation society.

Tool learning empowers large language models (LLMs) as agents to use external tools to extend their capability. Existing methods employ one single LLM-based agent to iteratively select and execute tools, thereafter incorporating the result into the next action prediction. However, they still suffer from potential performance degradation when addressing complex tasks due to: (1) the limitation of the inherent capability of a single LLM to perform diverse actions, and (2) the struggle to adaptively correct mistakes when the task fails. To mitigate these problems, we propose the ConAgents, a Cooperative and interactive Agents framework, which modularizes the workflow of tool learning into Grounding, Execution, and Observing agents. We also introduce an iterative calibration (IterCali) method, enabling the agents to adapt themselves based on the feedback from the tool environment. Experiments conducted on three datasets demonstrate the superiority of our ConAgents (e.g., 6 point improvement over the SOTA baseline). We further provide fine-granularity analysis for the efficiency and consistency of our framework.

The performance of LLM-based agents depends not only on the agent itself but also on the quality of the tool interfaces it consumes. While prior work has focused heavily on agent fine-tuning, tool interfaces-including natural language descriptions and parameter schemas-remain largely human-oriented and often become a bottleneck, especially when agents must select from large candidate tool sets. Existing approaches to improving tool interfaces rely on execution traces, which are frequently unavailable in cold-start or privacy-constrained settings, and typically optimize each tool independently, limiting scalability and generalization to unseen tools. We propose Trace-Free+, a curriculum learning framework that progressively transfers supervision from trace-rich settings to trace-free deployment, encouraging the model to abstract reusable interface-usage patterns and tool usage outcomes. To support this approach, we construct a large-scale dataset of high-quality tool interfaces using a structured workflow over a diverse collection of tools. Experiments on StableToolBench and RestBench show consistent gains on unseen tools, strong cross-domain generalization, and robustness as the number of candidate tools scales to over 100, demonstrating that tool interface optimization is a practical and deployable complement to agent fine-tuning.

Augmenting large language models (LLM) to use external tools enhances their performance across a variety of tasks. However, prior works over-rely on task-specific demonstration of tool use that limits their generalizability and computational cost due to making many calls to large-scale LLMs. We introduce GEAR, a computationally efficient query-tool grounding algorithm that is generalizable to various tasks that require tool use while not relying on task-specific demonstrations. GEAR achieves better efficiency by delegating tool grounding and execution to small language models (SLM) and LLM, respectively; while leveraging semantic and pattern-based evaluation at both question and answer levels for generalizable tool grounding. We evaluate GEAR on 14 datasets across 6 downstream tasks, demonstrating its strong generalizability to novel tasks, tools and different SLMs. Despite offering more efficiency, GEAR achieves higher precision in tool grounding compared to prior strategies using LLM prompting, thus improving downstream accuracy at a reduced computational cost. For example, we demonstrate that GEAR-augmented GPT-J and GPT-3 outperform counterpart tool-augmented baselines because of better tool use.

This paper introduces LLM-MARS, first technology that utilizes a Large Language Model based Artificial Intelligence for Multi-Agent Robot Systems. LLM-MARS enables dynamic dialogues between humans and robots, allowing the latter to generate behavior based on operator commands and provide informative answers to questions about their actions. LLM-MARS is built on a transformer-based Large Language Model, fine-tuned from the Falcon 7B model. We employ a multimodal approach using LoRa adapters for different tasks. The first LoRa adapter was developed by fine-tuning the base model on examples of Behavior Trees and their corresponding commands. The second LoRa adapter was developed by fine-tuning on question-answering examples. Practical trials on a multi-agent system of two robots within the Eurobot 2023 game rules demonstrate promising results. The robots achieve an average task execution accuracy of 79.28% in compound commands. With commands containing up to two tasks accuracy exceeded 90%. Evaluation confirms the system's answers on operators questions exhibit high accuracy, relevance, and informativeness. LLM-MARS and similar multi-agent robotic systems hold significant potential to revolutionize logistics, enabling autonomous exploration missions and advancing Industry 5.0.

Large Language Model (LLM) safety is one of the most pressing challenges for enabling wide-scale deployment. While most studies and global discussions focus on generic harms, such as models assisting users in harming themselves or others, enterprises face a more fundamental concern: whether LLM-based agents are safe for their intended use case. To address this, we introduce operational safety, defined as an LLM's ability to appropriately accept or refuse user queries when tasked with a specific purpose. We further propose OffTopicEval, an evaluation suite and benchmark for measuring operational safety both in general and within specific agentic use cases. Our evaluations on six model families comprising 20 open-weight LLMs reveal that while performance varies across models, all of them remain highly operationally unsafe. Even the strongest models -- Qwen-3 (235B) with 77.77\% and Mistral (24B) with 79.96\% -- fall far short of reliable operational safety, while GPT models plateau in the 62--73\% range, Phi achieves only mid-level scores (48--70\%), and Gemma and Llama-3 collapse to 39.53\% and 23.84\%, respectively. While operational safety is a core model alignment issue, to suppress these failures, we propose prompt-based steering methods: query grounding (Q-ground) and system-prompt grounding (P-ground), which substantially improve OOD refusal. Q-ground provides consistent gains of up to 23\%, while P-ground delivers even larger boosts, raising Llama-3.3 (70B) by 41\% and Qwen-3 (30B) by 27\%. These results highlight both the urgent need for operational safety interventions and the promise of prompt-based steering as a first step toward more reliable LLM-based agents.

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

Tools enhance the reasoning capabilities of large language models (LLMs) in complex problem-solving tasks, but not all tasks have available tools. In the absence of predefined tools, prior works have explored instructing LLMs to generate tools on their own. However, such approaches rely heavily on the models' internal knowledge and would fail in domains beyond the LLMs' knowledge scope. To address this limitation, we propose RefTool, a reference-guided framework for automatic tool creation that leverages structured external materials such as textbooks. RefTool consists of two modules: (1) tool creation, where LLMs generate executable tools from reference content, validate them using illustrative examples, and organize them hierarchically into a toolbox; and (2) tool utilization, where LLMs navigate the toolbox structure to select and apply the appropriate tools to solve problems. Experiments on causality, physics, and chemistry benchmarks demonstrate that RefTool outperforms existing tool-creation and domain-specific reasoning methods by 11.3% on average accuracy, while being cost-efficient and broadly generalizable. Analyses reveal that grounding tool creation in references produces accurate and faithful tools, and that the hierarchical structure facilitates effective tool selection. RefTool enables LLMs to overcome knowledge limitations, demonstrating the value of grounding tool creation in external references for enhanced and generalizable reasoning.

Since the introduction of the Model Context Protocol (MCP), the number of available tools for Large Language Models (LLMs) has increased significantly. These task-specific tool sets offer an alternative to general-purpose tools such as web browsers, while being easier to develop and maintain than GUIs. However, current general-purpose agents predominantly rely on web browsers for interacting with the environment. Here, we introduce TheMCPCompany, a benchmark for evaluating tool-calling agents on tasks that involve interacting with various real-world services. We use the REST APIs of these services to create MCP servers, which include over 18,000 tools. We also provide manually annotated ground-truth tools for each task. In our experiments, we use the ground truth tools to show the potential of tool-calling agents for both improving performance and reducing costs assuming perfect tool retrieval. Next, we explore agent performance using tool retrieval to study the real-world practicality of tool-based agents. While all models with tool retrieval perform similarly or better than browser-based agents, smaller models cannot take full advantage of the available tools through retrieval. On the other hand, GPT-5's performance with tool retrieval is very close to its performance with ground-truth tools. Overall, our work shows that the most advanced reasoning models are effective at discovering tools in simpler environments, but seriously struggle with navigating complex enterprise environments. TheMCPCompany reveals that navigating tens of thousands of tools and combining them in non-trivial ways to solve complex problems is still a challenging task for current models and requires both better reasoning and better retrieval models.

The emergence of LLMs has catalyzed a paradigm shift in autonomous agent development, enabling systems capable of reasoning, planning, and executing complex multi-step tasks. However, existing agent frameworks often suffer from architectural rigidity, vendor lock-in, and prohibitive complexity that impedes rapid prototyping and deployment. This paper presents AgentForge, a lightweight, open-source Python framework designed to democratize the construction of LLM-driven autonomous agents through a principled modular architecture. AgentForge introduces three key innovations: (1) a composable skill abstraction that enables fine-grained task decomposition with formally defined input-output contracts, (2) a unified LLM backend interface supporting seamless switching between cloud-based APIs and local inference engines, and (3) a declarative YAML-based configuration system that separates agent logic from implementation details. We formalize the skill composition mechanism as a directed acyclic graph (DAG) and prove its expressiveness for representing arbitrary sequential and parallel task workflows. Comprehensive experimental evaluation across four benchmark scenarios demonstrates that AgentForge achieves competitive task completion rates while reducing development time by 62% compared to LangChain and 78% compared to direct API integration. Latency measurements confirm sub-100ms orchestration overhead, rendering the framework suitable for real-time applications. The modular design facilitates extension: we demonstrate the integration of six built-in skills and provide comprehensive documentation for custom skill development. AgentForge addresses a critical gap in the LLM agent ecosystem by providing researchers and practitioners with a production-ready foundation for constructing, evaluating, and deploying autonomous agents without sacrificing flexibility or performance.

Information seeking is a fundamental requirement for humans. However, existing LLM agents rely heavily on open-web search, which exposes two fundamental weaknesses: online content is noisy and unreliable, and many real-world tasks require precise, domain-specific knowledge unavailable from the web. The emergence of the Model Context Protocol (MCP) now allows agents to interface with thousands of specialized tools, seemingly resolving this limitation. Yet it remains unclear whether agents can effectively leverage such tools -- and more importantly, whether they can integrate them with general-purpose search to solve complex tasks. Therefore, we introduce InfoMosaic-Bench, the first benchmark dedicated to multi-source information seeking in tool-augmented agents. Covering six representative domains (medicine, finance, maps, video, web, and multi-domain integration), InfoMosaic-Bench requires agents to combine general-purpose search with domain-specific tools. Tasks are synthesized with InfoMosaic-Flow, a scalable pipeline that grounds task conditions in verified tool outputs, enforces cross-source dependencies, and filters out shortcut cases solvable by trivial lookup. This design guarantees both reliability and non-triviality. Experiments with 14 state-of-the-art LLM agents reveal three findings: (i) web information alone is insufficient, with GPT-5 achieving only 38.2% accuracy and 67.5% pass rate; (ii) domain tools provide selective but inconsistent benefits, improving some domains while degrading others; and (iii) 22.4% of failures arise from incorrect tool usage or selection, highlighting that current LLMs still struggle with even basic tool handling.

LLM-based agent systems are emerging as a new software paradigm and have been widely adopted across diverse domains such as medicine, robotics, and programming. However, maintaining these systems requires substantial effort, as they are inevitably prone to bugs and continually evolve to meet changing external requirements. Therefore, automatically resolving agent issues (i.e., bug reports or feature requests) is a crucial and challenging task. While recent software engineering (SE) agents (e.g., SWE-agent) have shown promise in addressing issues in traditional software systems, it remains unclear how effectively they can resolve real-world issues in agent systems, which differ significantly from traditional software. To fill this gap, we first manually analyze 201 real-world agent issues and identify common categories of agent issues. We then spend 500 person-hours constructing AGENTISSUE-BENCH, a reproducible benchmark comprising 50 agent issue resolution tasks (each with an executable environment and failure-triggering tests). We further evaluate state-of-the-art SE agents on AGENTISSUE-BENCH and reveal their limited effectiveness (i.e., with only 3.33% - 12.67% resolution rates). These results underscore the unique challenges of maintaining agent systems compared to traditional software, highlighting the need for further research to develop advanced SE agents for resolving agent issues. Data and code are available at https://alfin06.github.io/AgentIssue-Bench-Leaderboard/#/ .

3D visual grounding (3DVG) is challenging because of the requirement of understanding on visual information, language and spatial relationships. While supervised approaches have achieved superior performance, they are constrained by the scarcity and high cost of 3D vision-language datasets. On the other hand, LLM/VLM based agents are proposed for 3DVG, eliminating the need for training data. However, these methods incur prohibitive time and token costs during inference. To address the challenges, we introduce a novel training-free symbolic framework for 3D visual grounding, namely Evolvable Symbolic Visual Grounder, that offers significantly reduced inference costs compared to previous agent-based methods while maintaining comparable performance. EaSe uses LLM generated codes to compute on spatial relationships. EaSe also implements an automatic pipeline to evaluate and optimize the quality of these codes and integrate VLMs to assist in the grounding process. Experimental results demonstrate that EaSe achieves 52.9% accuracy on Nr3D dataset and 49.2% Acc@0.25 on ScanRefer, which is top-tier among training-free methods. Moreover, it substantially reduces the inference time and cost, offering a balanced trade-off between performance and efficiency. Codes are available at https://github.com/OpenRobotLab/EaSe.

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.

Agentic reinforcement learning has advanced large language models (LLMs) to reason through long chain-of-thought trajectories while interleaving external tool use. Existing approaches assume a fixed inventory of tools, limiting LLM agents' adaptability to new or evolving toolsets. We present AutoTool, a framework that equips LLM agents with dynamic tool-selection capabilities throughout their reasoning trajectories. We first construct a 200k dataset with explicit tool-selection rationales across 1,000+ tools and 100+ tasks spanning mathematics, science, code generation, and multimodal reasoning. Building on this data foundation, AutoTool employs a dual-phase optimization pipeline: (i) supervised and RL-based trajectory stabilization for coherent reasoning, and (ii) KL-regularized Plackett-Luce ranking to refine consistent multi-step tool selection. Across ten diverse benchmarks, we train two base models, Qwen3-8B and Qwen2.5-VL-7B, with AutoTool. With fewer parameters, AutoTool consistently outperforms advanced LLM agents and tool-integration methods, yielding average gains of 6.4% in math & science reasoning, 4.5% in search-based QA, 7.7% in code generation, and 6.9% in multimodal understanding. In addition, AutoTool exhibits stronger generalization by dynamically leveraging unseen tools from evolving toolsets during inference.

Large language model (LLM) agents have exhibited strong problem-solving competence across domains like research and coding. Yet, it remains underexplored whether LLM agents can tackle compounding real-world problems that require a diverse set of tools to complete. Given a broad, heterogeneous tool repository, LLM agents must not only select appropriate tools based on task planning analysis but also strategically schedule the execution order to ensure efficiency. This paper introduces TPS-Bench to benchmark the ability of LLM agents in solving such problems that demand Tool Planning and Scheduling. TPS-Bench collects 200 compounding tasks of two difficulty levels, based on a tool repository containing hundreds of model context protocol (MCP) tools. In particular, each task is composed of multiple subtasks, such as web search, map navigation, calendar checking, etc., and each subtask can be completed by a basic tool. Our evaluation emphasizes both task completion rate and efficiency. The empirical studies on popular closed-source and open-source LLMs indicate that most models can perform reasonable tool planning, but differ in scheduling. For example, GLM-4.5 achieves an outperforming task completion rate of 64.72% with extensive sequential tool calls, hence suffering from significantly long execution time. By contrast, GPT-4o prioritizes parallel tool calls but achieves only a 45.08% completion rate. Considering reinforcement learning (RL) can be a viable way to improve the scheduling efficiency without compromising performance, we perform an initial study on Qwen3-1.7B and witness a 14% reduction in execution time alongside a 6% gain in task completion rate based on rarely 100 RL training samples. Our code is available https://github.com/hanwenxu1/mcp-agent.

Large Language Models (LLMs) have revolutionized various aspects of engineering and science. Their utility is often bottlenecked by the lack of interaction with the external digital environment. To overcome this limitation and achieve integration of LLMs and Artificial Intelligence (AI) into real-world applications, customized AI agents are being constructed. Based on the technological trends and techniques, we extract a high-level approach for constructing these AI agents, focusing on their underlying architecture. This thesis serves as a comprehensive guide that elucidates a multi-faceted approach for empowering LLMs with the capability to leverage Application Programming Interfaces (APIs). We present a 7-step methodology that begins with the selection of suitable LLMs and the task decomposition that is necessary for complex problem-solving. This methodology includes techniques for generating training data for API interactions and heuristics for selecting the appropriate API among a plethora of options. These steps eventually lead to the generation of API calls that are both syntactically and semantically aligned with the LLM's understanding of a given task. Moreover, we review existing frameworks and tools that facilitate these processes and highlight the gaps in current attempts. In this direction, we propose an on-device architecture that aims to exploit the functionality of carry-on devices by using small models from the Hugging Face community. We examine the effectiveness of these approaches on real-world applications of various domains, including the generation of a piano sheet. Through an extensive analysis of the literature and available technologies, this thesis aims to set a compass for researchers and practitioners to harness the full potential of LLMs augmented with external tool capabilities, thus paving the way for more autonomous, robust, and context-aware AI agents.

Recent advances in LLM Multi-Agent Systems enable scalable orchestration of sub-agents, each coordinating hundreds or thousands of tools or Model Context Protocol (MCP) servers. However, existing retrieval methods typically match queries against coarse agent-level descriptions before routing, which obscures fine-grained tool functionality and often results in suboptimal agent selection. We introduce Tool-to-Agent Retrieval, a unified framework that embeds both tools and their parent agents in a shared vector space and connects them through metadata relationships. By explicitly representing tool capabilities and traversing metadata to the agent level, Tool-to-Agent Retrieval enables granular tool-level or agent-level retrieval, ensuring that agents and their underlying tools or MCP servers are equally represented without the context dilution that arises from chunking many tools together. Evaluating Tool-to-Agent Retrieval across eight embedding models, our approach achieves consistent improvements of 19.4% in Recall@5 and 17.7% in nDCG@5 over previous state-of-the-art agent retrievers on the LiveMCPBench benchmark.

LLM-based agents are rapidly being adopted across diverse domains. Since they interact with users without supervision, they must be tested extensively. Current testing approaches focus on acceptance-level evaluation from the user's perspective. While intuitive, these tests require manual evaluation, are difficult to automate, do not facilitate root cause analysis, and incur expensive test environments. In this paper, we present methods to enable structural testing of LLM-based agents. Our approach utilizes traces (based on OpenTelemetry) to capture agent trajectories, employs mocking to enforce reproducible LLM behavior, and adds assertions to automate test verification. This enables testing agent components and interactions at a deeper technical level within automated workflows. We demonstrate how structural testing enables the adaptation of software engineering best practices to agents, including the test automation pyramid, regression testing, test-driven development, and multi-language testing. In representative case studies, we demonstrate automated execution and faster root-cause analysis. Collectively, these methods reduce testing costs and improve agent quality through higher coverage, reusability, and earlier defect detection. We provide an open source reference implementation on GitHub.

Large Language Model (LLM) agents have developed rapidly in recent years to solve complex real-world problems using external tools. However, the scarcity of high-quality trajectories still hinders the development of stronger LLM agents. Most existing works on multi-turn dialogue synthesis validate correctness only at the trajectory level, which may overlook turn-level errors that can propagate during training and degrade model performance. To address these limitations, we introduce ToolMind, a large-scale, high-quality tool-agentic dataset with 160k synthetic data instances generated using over 20k tools and 200k augmented open-source data instances. Our data synthesis pipeline first constructs a function graph based on parameter correlations and then uses a multi-agent framework to simulate realistic user-assistant-tool interactions. Beyond trajectory-level validation, we employ fine-grained turn-level filtering to remove erroneous or suboptimal steps, ensuring that only high-quality reasoning traces are retained. This approach mitigates error amplification during training while preserving self-corrective reasoning signals essential for robust tool-use learning. Models fine-tuned on ToolMind show significant improvements over baselines on several benchmarks.

Modern agents powered by thinking LLMs achieve high accuracy through long chain-of-thought reasoning but incur substantial inference costs. While many LLMs now support configurable reasoning levels (e.g., high/medium/low), static strategies are often ineffective: using low-effort modes at every step leads to significant performance degradation, while random selection fails to preserve accuracy or provide meaningful cost reduction. However, agents should reserve high reasoning effort for difficult steps like navigating complex website structures, while using lower-effort modes for simpler steps like opening a target URL. In this paper, we propose Ares, a framework for per-step dynamic reasoning effort selection tailored for multi-step agent tasks. Ares employs a lightweight router to predict the lowest appropriate reasoning level for each step based on the interaction history. To train this router, we develop a data generation pipeline that identifies the minimum reasoning effort required for successful step completion. We then fine-tune the router to predict these levels, enabling plug-and-play integration for any LLM agents. We evaluate Ares on a diverse set of agent tasks, including TAU-Bench for tool use agents, BrowseComp-Plus for deep-research agents, and WebArena for web agents. Experimental results show that Ares reduces reasoning token usage by up to 52.7% compared to fixed high-effort reasoning, while introducing minimal degradation in task success rates.

AI agents are autonomous systems that combine LLMs with external tools to solve complex tasks. While such tools extend capability, improper tool permissions introduce security risks such as indirect prompt injection and tool misuse. We characterize these failures as unbalanced tool-driven agency. Agents may retain unnecessary permissions (excessive agency) or fail to invoke required tools (insufficient agency), amplifying the attack surface and reducing performance. We introduce AgenTRIM, a framework for detecting and mitigating tool-driven agency risks without altering an agent's internal reasoning. AgenTRIM addresses these risks through complementary offline and online phases. Offline, AgenTRIM reconstructs and verifies the agent's tool interface from code and execution traces. At runtime, it enforces per-step least-privilege tool access through adaptive filtering and status-aware validation of tool calls. Evaluating on the AgentDojo benchmark, AgenTRIM substantially reduces attack success while maintaining high task performance. Additional experiments show robustness to description-based attacks and effective enforcement of explicit safety policies. Together, these results demonstrate that AgenTRIM provides a practical, capability-preserving approach to safer tool use in LLM-based agents.

The remarkable capability of large language models (LLMs) has led to the wide application of LLM-based agents in various domains. To standardize interactions between LLM-based agents and their environments, model context protocol (MCP) tools have become the de facto standard and are now widely integrated into these agents. However, the incorporation of MCP tools introduces the risk of tool poisoning attacks, which can manipulate the behavior of LLM-based agents. Although previous studies have identified such vulnerabilities, their red teaming approaches have largely remained at the proof-of-concept stage, leaving the automatic and systematic red teaming of LLM-based agents under the MCP tool poisoning paradigm an open question. To bridge this gap, we propose AutoMalTool, an automated red teaming framework for LLM-based agents by generating malicious MCP tools. Our extensive evaluation shows that AutoMalTool effectively generates malicious MCP tools capable of manipulating the behavior of mainstream LLM-based agents while evading current detection mechanisms, thereby revealing new security risks in these agents.

The rapid proliferation of LLM agent frameworks has forced developers to choose between vendor lock-in through provider-specific SDKs and complex multi-package ecosystems that obscure control flow and hinder reproducibility. Integrating tool calling across multiple LLM providers remains a core engineering challenge due to fragmented APIs, incompatible message formats, and inconsistent streaming and tool-calling behavior, making it difficult to build portable, reliable agent systems. We introduce Orchestral, a lightweight Python framework that provides a unified, type-safe interface for building LLM agents across major providers while preserving the simplicity required for scientific computing and production deployment. Orchestral defines a single universal representation for messages, tools, and LLM usage that operates seamlessly across providers, eliminating manual format translation and reducing framework-induced complexity. Automatic tool schema generation from Python type hints removes the need for handwritten descriptors while maintaining type safety across provider boundaries. A synchronous execution model with streaming support enables deterministic behavior, straightforward debugging, and real-time interaction without introducing server dependencies. The framework's modular architecture cleanly separates provider integration, tool execution, conversation orchestration, and user-facing interfaces, enabling extensibility without architectural entanglement. Orchestral supports advanced agent capabilities found in larger frameworks, including rich tool calling, context compaction, workspace sandboxing, user approval workflows, sub-agents, memory management, and MCP integration.

Tool-augmented large language models (LLMs) leverage tools, often in the form of APIs, to enhance their reasoning capabilities on complex tasks, thus taking on the role of intelligent agents interacting with the real world. The recently introduced ToolLLaMA model by Qin et al. [2024] utilizes the depth-first search-based decision tree (DFSDT) method for reasoning with 16000+ real-world APIs, which effectively improves the planning and inferencing performance of tool-augmented LLMs compared to traditional chain reasoning approaches. However, their approach only employs successful paths from decision trees (also called inference trees) for supervised fine-tuning (SFT) during training, which does not fully exploit the advantages of the tree of thought. In this study, we propose an inference trajectory optimization framework based on the preference data extracted from decision trees to address this limitation. We first introduce a novel method for constructing preference data from the tree of thought, capitalizing on the failed explorations previously overlooked in the trees. Specifically, we generate an effective step-wise preference dataset, named ToolPreference, for tool use based on the ToolBench dataset. In the subsequent training phase, we first fine-tune the LLM with tool-usage expert trajectories and then use these step-wise preference pairs for direct preference optimization (DPO) to update the policy of the LLM, resulting in our ToolPrefer-LLaMA (TP-LLaMA) model. Our experiments demonstrate that by obtaining insights from errors in inference trees, TP-LLaMA significantly outperforms the baselines across almost all test scenarios by a large margin and exhibits better generalization capabilities with unseen APIs. At the same time, TP-LLaMA has also demonstrated superior reasoning efficiency compared to the baselines, making it more suitable for complex tool-usage reasoning tasks.

Large language models (LLMs) have recently demonstrated remarkable capabilities to comprehend human intentions, engage in reasoning, and design planning-like behavior. To further unleash the power of LLMs to accomplish complex tasks, there is a growing trend to build agent framework that equips LLMs, such as ChatGPT, with tool-use abilities to connect with massive external APIs. In this work, we introduce ModelScope-Agent, a general and customizable agent framework for real-world applications, based on open-source LLMs as controllers. It provides a user-friendly system library, with customizable engine design to support model training on multiple open-source LLMs, while also enabling seamless integration with both model APIs and common APIs in a unified way. To equip the LLMs with tool-use abilities, a comprehensive framework has been proposed spanning over tool-use data collection, tool retrieval, tool registration, memory control, customized model training, and evaluation for practical real-world applications. Finally, we showcase ModelScopeGPT, a real-world intelligent assistant of ModelScope Community based on the ModelScope-Agent framework, which is able to connect open-source LLMs with more than 1000 public AI models and localized community knowledge in ModelScope. The ModelScope-Agent libraryhttps://github.com/modelscope/modelscope-agent and online demohttps://modelscope.cn/studios/damo/ModelScopeGPT/summary are now publicly available.

The advancement of LLM agents with tool-use capabilities requires diverse and complex training corpora. Existing data generation methods, which predominantly follow a paradigm of random sampling and shallow generation, often yield simple and homogeneous trajectories that fail to capture complex, implicit logical dependencies. To bridge this gap, we introduce HardGen, an automatic agentic pipeline designed to generate hard tool-use training samples with verifiable reasoning. Firstly, HardGen establishes a dynamic API Graph built upon agent failure cases, from which it samples to synthesize hard traces. Secondly, these traces serve as conditional priors to guide the instantiation of modular, abstract advanced tools, which are subsequently leveraged to formulate hard queries. Finally, the advanced tools and hard queries enable the generation of verifiable complex Chain-of-Thought (CoT), with a closed-loop evaluation feedback steering the continuous refinement of the process. Extensive evaluations demonstrate that a 4B parameter model trained with our curated dataset achieves superior performance compared to several leading open-source and closed-source competitors (e.g., GPT-5.2, Gemini-3-Pro and Claude-Opus-4.5). Our code, models, and dataset will be open-sourced to facilitate future research.

With the rise of artificial intelligence (AI), applying large language models (LLMs) to Operations Research (OR) problem-solving has attracted increasing attention. Most existing approaches attempt to improve OR problem-solving through prompt engineering or fine-tuning strategies for LLMs. However, these methods are fundamentally constrained by the limited capabilities of non-reasoning LLMs. To overcome these limitations, we propose OR-LLM-Agent, an AI agent built on reasoning LLMs for automated OR problem solving. The agent decomposes the task into three sequential stages: mathematical modeling, code generation, and debugging. Each task is handled by a dedicated sub-agent, which enables more targeted reasoning. We also construct BWOR, a high-quality dataset for evaluating LLM performance on OR tasks. Our analysis shows that existing benchmarks such as NL4OPT, MAMO, and IndustryOR suffer from certain issues, making them less suitable for reliably evaluating LLM performance. In contrast, BWOR provides a more consistent and discriminative assessment of model capabilities. Experimental results demonstrate that OR-LLM-Agent outperforms advanced methods, including GPT-o3, Gemini 2.5 Pro, and ORLM, by at least 7% in accuracy. These results demonstrate the effectiveness of task decomposition for OR problem solving.

Tool-augmented large language models (LLMs) are emerging as deep research agents, systems that decompose complex queries, retrieve external evidence, and synthesize grounded responses. Yet current agents remain limited by shallow retrieval, weak alignment metrics, and brittle tool-use behavior. We introduce PokeeResearch-7B, a 7B-parameter deep research agent built under a unified reinforcement learning framework for robustness, alignment, and scalability. PokeeResearch-7B is trained by an annotation-free Reinforcement Learning from AI Feedback (RLAIF) framework to optimize policies using LLM-based reward signals that capture factual accuracy, citation faithfulness, and instruction adherence. A chain-of-thought-driven multi-call reasoning scaffold further enhances robustness through self-verification and adaptive recovery from tool failures. Among 10 popular deep research benchmarks, PokeeResearch-7B achieves state-of-the-art performance among 7B-scale deep research agents. This highlights that careful reinforcement learning and reasoning design can produce efficient, resilient, and research-grade AI agents. The model and inference code is open-sourced under MIT license at https://github.com/Pokee-AI/PokeeResearchOSS.

Large Language Model (LLM) agents have emerged as powerful tools for automating complex tasks by leveraging the reasoning and decision-making abilities of LLMs. However, a major bottleneck in current agent frameworks lies in the high inference cost of tool selection, especially in approaches like ReAct that repeatedly invoke the LLM to determine which tool to use at each step. In this work, we propose AutoTool, a novel graph-based framework that bypasses repeated LLM inference by exploiting a key empirical observation: tool usage inertia - the tendency of tool invocations to follow predictable sequential patterns. AutoTool constructs a directed graph from historical agent trajectories, where nodes represent tools and edges capture transition probabilities, effectively modeling the inertia in tool selection. It further integrates parameter-level information to refine tool input generation. By traversing this structured representation, AutoTool efficiently selects tools and their parameters with minimal reliance on LLM inference. Extensive experiments across diverse agent tasks demonstrate that AutoTool reduces inference costs by up to 30% while maintaining competitive task completion rates, offering a practical and scalable enhancement for inference-heavy frameworks. Our work highlights the promise of integrating statistical structure into LLM agent design for greater efficiency without sacrificing performance.

Large Language Model (LLM) based agents have garnered significant attention and are becoming increasingly popular. Furthermore, planning ability is a crucial component of an LLM-based agent, involving interaction with the environment and executing actions to complete a planning task, which generally entails achieving a desired goal from an initial state. This paper investigates enhancing the planning abilities of LLMs through instruction tuning, referred to as agent training. Recent studies have demonstrated that utilizing expert-level trajectory for instruction-tuning LLMs effectively enhances their planning capabilities. However, existing work primarily focuses on synthesizing trajectories from manually designed planning tasks and environments. The labor-intensive nature of creating these environments and tasks impedes the generation of sufficiently varied and extensive trajectories. To address this limitation, this paper explores the automated synthesis of diverse environments and a gradual range of planning tasks, from easy to difficult. We introduce a framework, AgentGen, that leverages LLMs first to generate environments and subsequently generate planning tasks conditioned on these environments. Specifically, to improve environmental diversity, we propose using an inspiration corpus composed of various domain-specific text segments as the context for synthesizing environments. Moreover, to increase the difficulty diversity of generated planning tasks, we propose a bidirectional evolution method, Bi-Evol, that evolves planning tasks from easier and harder directions to synthesize a task set with a smoother difficulty curve. The evaluation results derived from AgentBoard show that AgentGen greatly improves LLMs' planning ability, e.g., the AgentGen instruction-tuned Llama-3 8B surpasses GPT-3.5 in overall performance. Moreover, in certain tasks, it even outperforms GPT-4.

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

The rise of LLM-based agents shows great potential to revolutionize task planning, capturing significant attention. Given that these agents will be integrated into high-stake domains, ensuring their reliability and safety is crucial. This paper presents an Agent-Constitution-based agent framework, TrustAgent, with a particular focus on improving the LLM-based agent safety. The proposed framework ensures strict adherence to the Agent Constitution through three strategic components: pre-planning strategy which injects safety knowledge to the model before plan generation, in-planning strategy which enhances safety during plan generation, and post-planning strategy which ensures safety by post-planning inspection. Our experimental results demonstrate that the proposed framework can effectively enhance an LLM agent's safety across multiple domains by identifying and mitigating potential dangers during the planning. Further analysis reveals that the framework not only improves safety but also enhances the helpfulness of the agent. Additionally, we highlight the importance of the LLM reasoning ability in adhering to the Constitution. This paper sheds light on how to ensure the safe integration of LLM-based agents into human-centric environments. Data and code are available at https://github.com/agiresearch/TrustAgent.

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

LLMs are increasingly deployed as agents, systems capable of planning, reasoning, and dynamically calling external tools. However, in visual reasoning, prior approaches largely remain limited by predefined workflows and static toolsets. In this report, we present PyVision, an interactive, multi-turn framework that enables MLLMs to autonomously generate, execute, and refine Python-based tools tailored to the task at hand, unlocking flexible and interpretable problem-solving. We develop a taxonomy of the tools created by PyVision and analyze their usage across a diverse set of benchmarks. Quantitatively, PyVision achieves consistent performance gains, boosting GPT-4.1 by +7.8% on V* and Claude-4.0-Sonnet by +31.1% on VLMsAreBlind-mini. These results point to a broader shift: dynamic tooling allows models not just to use tools, but to invent them, advancing toward more agentic visual reasoning.

Large Language Models (LLMs) are transforming artificial intelligence, enabling autonomous agents to perform diverse tasks across various domains. These agents, proficient in human-like text comprehension and generation, have the potential to revolutionize sectors from customer service to healthcare. However, they face challenges such as multimodality, human value alignment, hallucinations, and evaluation. Techniques like prompting, reasoning, tool utilization, and in-context learning are being explored to enhance their capabilities. Evaluation platforms like AgentBench, WebArena, and ToolLLM provide robust methods for assessing these agents in complex scenarios. These advancements are leading to the development of more resilient and capable autonomous agents, anticipated to become integral in our digital lives, assisting in tasks from email responses to disease diagnosis. The future of AI, with LLMs at the forefront, is promising.

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

LLM-based agents have emerged as promising tools, which are crafted to fulfill complex tasks by iterative planning and action. However, these agents are susceptible to undesired planning hallucinations when lacking specific knowledge for expertise-intensive tasks. To address this, preliminary attempts are made to enhance planning reliability by incorporating external workflow-related knowledge. Despite the promise, such infused knowledge is mostly disorganized and diverse in formats, lacking rigorous formalization and comprehensive comparisons. Motivated by this, we formalize different formats of workflow knowledge and present FlowBench, the first benchmark for workflow-guided planning. FlowBench covers 51 different scenarios from 6 domains, with knowledge presented in diverse formats. To assess different LLMs on FlowBench, we design a multi-tiered evaluation framework. We evaluate the efficacy of workflow knowledge across multiple formats, and the results indicate that current LLM agents need considerable improvements for satisfactory planning. We hope that our challenging benchmark can pave the way for future agent planning research.

Recent advances in Language Model (LM) agents and tool use, exemplified by applications like ChatGPT Plugins, enable a rich set of capabilities but also amplify potential risks - such as leaking private data or causing financial losses. Identifying these risks is labor-intensive, necessitating implementing the tools, manually setting up the environment for each test scenario, and finding risky cases. As tools and agents become more complex, the high cost of testing these agents will make it increasingly difficult to find high-stakes, long-tailed risks. To address these challenges, we introduce ToolEmu: a framework that uses an LM to emulate tool execution and enables the testing of LM agents against a diverse range of tools and scenarios, without manual instantiation. Alongside the emulator, we develop an LM-based automatic safety evaluator that examines agent failures and quantifies associated risks. We test both the tool emulator and evaluator through human evaluation and find that 68.8% of failures identified with ToolEmu would be valid real-world agent failures. Using our curated initial benchmark consisting of 36 high-stakes tools and 144 test cases, we provide a quantitative risk analysis of current LM agents and identify numerous failures with potentially severe outcomes. Notably, even the safest LM agent exhibits such failures 23.9% of the time according to our evaluator, underscoring the need to develop safer LM agents for real-world deployment.

Generating accurate circuit schematics from high-level natural language descriptions remains a persistent challenge in electronics design, as large language models (LLMs) frequently hallucinate in granular details, violate electrical constraints, and produce non-machine-readable outputs. We present CircuitLM, a novel multi-agent LLM-aided circuit design pipeline that translates user prompts into structured, visually interpretable CircuitJSON schematics through five sequential stages: (i) LLM-based component identification, (ii) canonical pinout retrieval, (iii) chain-of-thought reasoning by an electronics expert agent, (iv) JSON schematic synthesis, and (v) force-directed SVG visualization. Anchored by a curated, embedding-powered component knowledge base. While LLMs often violate electrical constraints, CircuitLM bridges this gap by grounding generation in a verified and dynamically extensible component database, initially comprising 50 components. To ensure safety, we incorporate a hybrid evaluation framework, namely Dual-Metric Circuit Validation (DMCV), validated against human-expert assessments, which achieves high fidelity in microcontroller-centric designs. We evaluate the system on 100 diverse embedded-systems prompts across six LLMs and introduce DMCV to assess both structural and electrical validity. This work bridges natural language input to deployable hardware designs, enabling reliable circuit prototyping by non-experts. Our code and data will be made public upon acceptance.

Tool-augmented LLM agents raise new security risks: tool executions can introduce runtime-only behaviors, including prompt injection and unintended exposure of external inputs (e.g., environment secrets or local files). While existing scanners often focus on static artifacts, analyzing runtime behavior is challenging because directly executing untrusted tools can itself be dangerous. We present MCP-SandboxScan, a lightweight framework motivated by the Model Context Protocol (MCP) that safely executes untrusted tools inside a WebAssembly/WASI sandbox and produces auditable reports of external-to-sink exposures. Our prototype (i) extracts LLM-relevant sinks from runtime outputs (prompt/messages and structured tool-return fields), (ii) instantiates external-input candidates from environment values, mounted file contents, and output-surfaced HTTP fetch intents, and (iii) links sources to sinks via snippet-based substring matching. Case studies on three representative tools show that MCP-SandboxScan can surface provenance evidence when external inputs appear in prompt/messages or tool-return payloads, and can expose filesystem capability violations as runtime evidence. We further compare against a lightweight static string-signature baseline and use a micro-benchmark to characterize false negatives under transformations and false positives from short-token collisions.

Building agents, systems that perceive and act upon their environment with a degree of autonomy, has long been a focus of AI research. This pursuit has recently become vastly more practical with the emergence of large language models (LLMs) capable of using natural language to integrate information, follow instructions, and perform forms of "reasoning" and planning across a wide range of tasks. With its multimodal data streams and orchestrated workflows spanning multiple systems, radiology is uniquely suited to benefit from agents that can adapt to context and automate repetitive yet complex tasks. In radiology, LLMs and their multimodal variants have already demonstrated promising performance for individual tasks such as information extraction and report summarization. However, using LLMs in isolation underutilizes their potential to support complex, multi-step workflows where decisions depend on evolving context from multiple information sources. Equipping LLMs with external tools and feedback mechanisms enables them to drive systems that exhibit a spectrum of autonomy, ranging from semi-automated workflows to more adaptive agents capable of managing complex processes. This review examines the design of such LLM-driven agentic systems, highlights key applications, discusses evaluation methods for planning and tool use, and outlines challenges such as error cascades, tool-use efficiency, and health IT integration.

We introduce Lumos, a novel framework for training language agents that employs a unified data format and a modular architecture based on open-source large language models (LLMs). Lumos consists of three distinct modules: planning, grounding, and execution. The planning module breaks down a task into a series of high-level, tool-agnostic subgoals, which are then made specific by the grounding module through a set of low-level actions. These actions are subsequently executed by the execution module, utilizing a range of off-the-shelf tools and APIs. In order to train these modules effectively, high-quality annotations of subgoals and actions were collected and are made available for fine-tuning open-source LLMs for various tasks such as complex question answering, web tasks, and math problems. Leveraging this unified data and modular design, Lumos not only achieves comparable or superior performance to current, state-of-the-art agents, but also exhibits several key advantages: (1) Lumos surpasses GPT-4/3.5-based agents in complex question answering and web tasks, while equalling the performance of significantly larger LLM agents on math tasks; (2) Lumos outperforms open-source agents created through conventional training methods and those using chain-of-thoughts training; and (3) Lumos is capable of effectively generalizing to unseen interactive tasks, outperforming larger LLM-based agents and even exceeding performance of specialized agents.

Multi-Modal Large Language Models (MLLMs), despite being successful, exhibit limited generality and often fall short when compared to specialized models. Recently, LLM-based agents have been developed to address these challenges by selecting appropriate specialized models as tools based on user inputs. However, such advancements have not been extensively explored within the medical domain. To bridge this gap, this paper introduces the first agent explicitly designed for the medical field, named Multi-modal Medical Agent (MMedAgent). We curate an instruction-tuning dataset comprising six medical tools solving seven tasks across five modalities, enabling the agent to choose the most suitable tools for a given task. Comprehensive experiments demonstrate that MMedAgent achieves superior performance across a variety of medical tasks compared to state-of-the-art open-source methods and even the closed-source model, GPT-4o. Furthermore, MMedAgent exhibits efficiency in updating and integrating new medical tools. Codes and models are all available.

Equipping Large Language Models (LLMs) with external tools enables them to solve complex real-world problems. However, the robustness of existing methods remains a critical challenge when confronting novel or evolving tools. Existing trajectory-centric paradigms primarily rely on memorizing static solution paths during training, which limits the ability of LLMs to generalize tool usage to newly introduced or previously unseen tools. In this paper, we propose ToolMaster, a framework that shifts tool use from imitating golden tool-calling trajectories to actively learning tool usage through interaction with the environment. To optimize LLMs for tool planning and invocation, ToolMaster adopts a trial-and-execution paradigm, which trains LLMs to first imitate teacher-generated trajectories containing explicit tool trials and self-correction, followed by reinforcement learning to coordinate the trial and execution phases jointly. This process enables agents to autonomously explore correct tool usage by actively interacting with environments and forming experiential knowledge that benefits tool execution. Experimental results demonstrate that ToolMaster significantly outperforms existing baselines in terms of generalization and robustness across unseen or unfamiliar tools. All code and data are available at https://github.com/NEUIR/ToolMaster.

Large language models (LLMs) have unlocked new capabilities of task planning from human instructions. However, prior attempts to apply LLMs to real-world robotic tasks are limited by the lack of grounding in the surrounding scene. In this paper, we develop NLMap, an open-vocabulary and queryable scene representation to address this problem. NLMap serves as a framework to gather and integrate contextual information into LLM planners, allowing them to see and query available objects in the scene before generating a context-conditioned plan. NLMap first establishes a natural language queryable scene representation with Visual Language models (VLMs). An LLM based object proposal module parses instructions and proposes involved objects to query the scene representation for object availability and location. An LLM planner then plans with such information about the scene. NLMap allows robots to operate without a fixed list of objects nor executable options, enabling real robot operation unachievable by previous methods. Project website: https://nlmap-saycan.github.io

Reusing and invoking existing code remains costly and unreliable, as most practical tools are embedded in heterogeneous code repositories and lack standardized, executable interfaces. Although large language models (LLMs) and Model Context Protocol (MCP)-based tool invocation frameworks enable natural language task execution, current approaches rely heavily on manual tool curation and standardization, which fundamentally limits scalability. In this paper, we propose ToolRosetta, a unified framework that automatically translates open-source code repositories and APIs into MCP-compatible tools that can be reliably invoked by LLMs. Given a user task, ToolRosetta autonomously plans toolchains, identifies relevant codebases, and converts them into executable MCP services, enabling end-to-end task completion with minimal human intervention. In addition, ToolRosetta incorporates a security inspection layer to mitigate risks inherent in executing arbitrary code. Extensive experiments across diverse scientific domains demonstrate that ToolRosetta can automatically standardize a large number of open-source tools and reduce the human effort required for code reproduction and deployment. Notably, by seamlessly leveraging specialized open-source tools, ToolRosetta-powered agents consistently improve task completion performance compared to commercial LLMs and existing agent systems.

Visual grounding is an essential tool that links user-provided text queries with query-specific regions within an image. Despite advancements in visual grounding models, their ability to comprehend complex queries remains limited. To overcome this limitation, we introduce LLM-Optic, an innovative method that utilizes Large Language Models (LLMs) as an optical lens to enhance existing visual grounding models in comprehending complex text queries involving intricate text structures, multiple objects, or object spatial relationships, situations that current models struggle with. LLM-Optic first employs an LLM as a Text Grounder to interpret complex text queries and accurately identify objects the user intends to locate. Then a pre-trained visual grounding model is used to generate candidate bounding boxes given the refined query by the Text Grounder. After that, LLM-Optic annotates the candidate bounding boxes with numerical marks to establish a connection between text and specific image regions, thereby linking two distinct modalities. Finally, it employs a Large Multimodal Model (LMM) as a Visual Grounder to select the marked candidate objects that best correspond to the original text query. Through LLM-Optic, we have achieved universal visual grounding, which allows for the detection of arbitrary objects specified by arbitrary human language input. Importantly, our method achieves this enhancement without requiring additional training or fine-tuning. Extensive experiments across various challenging benchmarks demonstrate that LLM-Optic achieves state-of-the-art zero-shot visual grounding capabilities. Project Page: https://haoyu-zhao.github.io/LLM-Optic.github.io/.

Although LLM-based agents, powered by Large Language Models (LLMs), can use external tools and memory mechanisms to solve complex real-world tasks, they may also introduce critical security vulnerabilities. However, the existing literature does not comprehensively evaluate attacks and defenses against LLM-based agents. To address this, we introduce Agent Security Bench (ASB), a comprehensive framework designed to formalize, benchmark, and evaluate the attacks and defenses of LLM-based agents, including 10 scenarios (e.g., e-commerce, autonomous driving, finance), 10 agents targeting the scenarios, over 400 tools, 23 different types of attack/defense methods, and 8 evaluation metrics. Based on ASB, we benchmark 10 prompt injection attacks, a memory poisoning attack, a novel Plan-of-Thought backdoor attack, a mixed attack, and 10 corresponding defenses across 13 LLM backbones with nearly 90,000 testing cases in total. Our benchmark results reveal critical vulnerabilities in different stages of agent operation, including system prompt, user prompt handling, tool usage, and memory retrieval, with the highest average attack success rate of 84.30\%, but limited effectiveness shown in current defenses, unveiling important works to be done in terms of agent security for the community. Our code can be found at https://github.com/agiresearch/ASB.

Existing Tool-Integrated Reasoning (TIR) models have effectively extended the question-answering capabilities of LLMs by incorporating external tools. However, real-world scenarios present numerous open-ended problems where fixed tools often fail to meet task requirements. Furthermore, the lack of self-optimization mechanisms means that erroneous tool outputs can mislead the LLM's responses. Additionally, the construction of existing tools entails significant manual effort, which consequently constrains their applicability. Recognizing that the reasoning traces of LLMs encapsulate implicit problem-solving capabilities, we propose UCT, a novel training-free framework that transforms agents from tool users to tool creators. This approach harvests reasoning experiences and distills them into reusable assets. This method transforms the agent from a mere tool user into a tool creator, enabling adaptive tool creation and self-updating during the inference process. We also introduce a memory consolidation mechanism to maintain the tool library, ensuring high reusability of retained experiential memory for subsequent reasoning tasks. This novel automated tool construction paradigm continuously improves tool quality during reasoning, allowing the overall agent system to progress without additional training. Extensive experiments demonstrate that our method serves as a novel paradigm for enhancing the capabilities of TIR models. In particular, the significant performance gains achieved +20.86%uparrow and +23.04%uparrow on benchmarks across multi-domain mathematical and scientific reasoning tasks validate the self-evolving capability of the agent.

The growth of Large Language Model (LLM) technology has raised expectations for automated coding. However, software engineering is more than coding and is concerned with activities including maintenance and evolution of a project. In this context, the concept of LLM agents has gained traction, which utilize LLMs as reasoning engines to invoke external tools autonomously. But is an LLM agent the same as an AI software engineer? In this paper, we seek to understand this question by developing a Unified Software Engineering agent or USEagent. Unlike existing work which builds specialized agents for specific software tasks such as testing, debugging, and repair, our goal is to build a unified agent which can orchestrate and handle multiple capabilities. This gives the agent the promise of handling complex scenarios in software development such as fixing an incomplete patch, adding new features, or taking over code written by others. We envision USEagent as the first draft of a future AI Software Engineer which can be a team member in future software development teams involving both AI and humans. To evaluate the efficacy of USEagent, we build a Unified Software Engineering bench (USEbench) comprising of myriad tasks such as coding, testing, and patching. USEbench is a judicious mixture of tasks from existing benchmarks such as SWE-bench, SWT-bench, and REPOCOD. In an evaluation on USEbench consisting of 1,271 repository-level software engineering tasks, USEagent shows improved efficacy compared to existing general agents such as OpenHands CodeActAgent. There exist gaps in the capabilities of USEagent for certain coding tasks, which provides hints on further developing the AI Software Engineer of the future.

LLM agents are evolving rapidly, powered by code execution, tools, and the recently introduced agent skills feature. Skills allow users to extend LLM applications with specialized third-party code, knowledge, and instructions. Although this can extend agent capabilities to new domains, it creates an increasingly complex agent supply chain, offering new surfaces for prompt injection attacks. We identify skill-based prompt injection as a significant threat and introduce SkillInject, a benchmark evaluating the susceptibility of widely-used LLM agents to injections through skill files. SkillInject contains 202 injection-task pairs with attacks ranging from obviously malicious injections to subtle, context-dependent attacks hidden in otherwise legitimate instructions. We evaluate frontier LLMs on SkillInject, measuring both security in terms of harmful instruction avoidance and utility in terms of legitimate instruction compliance. Our results show that today's agents are highly vulnerable with up to 80% attack success rate with frontier models, often executing extremely harmful instructions including data exfiltration, destructive action, and ransomware-like behavior. They furthermore suggest that this problem will not be solved through model scaling or simple input filtering, but that robust agent security will require context-aware authorization frameworks. Our benchmark is available at https://www.skill-inject.com/.

The recent advance in Large Language Models (LLMs) has shaped a new paradigm of AI agents, i.e., LLM-based agents. Compared to standalone LLMs, LLM-based agents substantially extend the versatility and expertise of LLMs by enhancing LLMs with the capabilities of perceiving and utilizing external resources and tools. To date, LLM-based agents have been applied and shown remarkable effectiveness in Software Engineering (SE). The synergy between multiple agents and human interaction brings further promise in tackling complex real-world SE problems. In this work, we present a comprehensive and systematic survey on LLM-based agents for SE. We collect 106 papers and categorize them from two perspectives, i.e., the SE and agent perspectives. In addition, we discuss open challenges and future directions in this critical domain. The repository of this survey is at https://github.com/FudanSELab/Agent4SE-Paper-List.

Large foundation models trained on large-scale vision-language data can boost Open-Vocabulary Object Detection (OVD) via synthetic training data, yet the hand-crafted pipelines often introduce bias and overfit to specific prompts. We sidestep this issue by directly fusing hidden states from Large Language Models (LLMs) into detectors-an avenue surprisingly under-explored. This paper presents a systematic method to enhance visual grounding by utilizing decoder layers of the LLM of an MLLM. We introduce a zero-initialized cross-attention adapter to enable efficient knowledge fusion from LLMs to object detectors, a new approach called LED (LLM Enhanced Open-Vocabulary Object Detection). We find that intermediate LLM layers already encode rich spatial semantics; adapting only the early layers yields most of the gain. With Swin-T as the vision encoder, Qwen2-0.5B + LED lifts GroundingDINO by 3.82 % on OmniLabel at just 8.7 % extra GFLOPs, and a larger vision backbone pushes the improvement to 6.22 %. Extensive ablations on adapter variants, LLM scales and fusion depths further corroborate our design.

Leveraging multiple large language model (LLM) agents has shown to be a promising approach for tackling complex tasks, while the effective design of multiple agents for a particular application remains an art. It is thus intriguing to answer a critical question: Given a task, how can we build a team of LLM agents to solve it effectively? Our new adaptive team-building paradigm offers a flexible solution, realized through a novel agent design named Captain Agent. It dynamically forms and manages teams for each step of a task-solving process, utilizing nested group conversations and reflection to ensure diverse expertise and prevent stereotypical outputs. It allows for a flexible yet structured approach to problem-solving and can help reduce redundancy and enhance output diversity. A comprehensive evaluation across six real-world scenarios demonstrates that Captain Agent significantly outperforms existing multi-agent methods with 21.94% improvement in average accuracy, providing outstanding performance without requiring task-specific prompt engineering.

Large Language Model (LLM) agents significantly extend the capabilities of standalone LLMs, empowering them to interact with external tools (e.g., APIs, functions) and complete complex tasks in a self-directed fashion. The challenge of tool use demands that LLMs not only understand user queries and generate answers but also excel in task planning, memory management, tool invocation, and result summarization. While traditional approaches focus on training a single LLM with all these capabilities, performance limitations become apparent, particularly with smaller models. Moreover, the entire LLM may require retraining when tools are updated. To overcome these challenges, we propose a novel strategy that decomposes the aforementioned capabilities into a planner, caller, and summarizer. Each component is implemented by a single LLM that focuses on a specific capability and collaborates with other components to accomplish the task. This modular framework facilitates individual updates and the potential use of smaller LLMs for building each capability. To effectively train this framework, we introduce a two-stage training paradigm. First, we fine-tune a backbone LLM on the entire dataset without discriminating sub-tasks, providing the model with a comprehensive understanding of the task. Second, the fine-tuned LLM is used to instantiate the planner, caller, and summarizer respectively, which are continually fine-tuned on respective sub-tasks. Evaluation across various tool-use benchmarks illustrates that our proposed multi-LLM framework surpasses the traditional single-LLM approach, highlighting its efficacy and advantages in tool learning.

As agent systems powered by large language models (LLMs) advance, improving the task performance of an autonomous agent, especially in context understanding, tool usage, and response generation, has become increasingly critical. Although prior studies have advanced the overall design of LLM-based agents, systematic optimization of their internal reasoning and tool-use pipelines remains underexplored. This paper introduces an agent framework grounded in real-world practical experience, with three key innovations: (1) an adaptive prompt generation strategy that aligns with the agent's state and task goals to improve reliability and robustness; (2) a context-aware tool orchestration module that performs tool categorization, semantic retrieval, and adaptive invocation based on user intent and context; and (3) a layered memory mechanism that integrates session memory, task history, and external summaries to improve relevance and efficiency through dynamic summarization and compression. An end-to-end framework named Jenius-Agent has been integrated with three key optimizations, including tools based on the Model Context Protocol (MCP), file input/output (I/O), and execution feedback. The experiments show a 20 percent improvement in task accuracy, along with a reduced token cost, response latency, and invocation failures. The framework is already deployed in Jenius (https://www.jenius.cn), providing a lightweight and scalable solution for robust, protocol-compatible autonomous agents.

Recent advancements in Multi-modal Large Language Models (MLLMs) have led to significant progress in developing GUI agents for general tasks such as web browsing and mobile phone use. However, their application in professional domains remains under-explored. These specialized workflows introduce unique challenges for GUI perception models, including high-resolution displays, smaller target sizes, and complex environments. In this paper, we introduce ScreenSpot-Pro, a new benchmark designed to rigorously evaluate the grounding capabilities of MLLMs in high-resolution professional settings. The benchmark comprises authentic high-resolution images from a variety of professional domains with expert annotations. It spans 23 applications across five industries and three operating systems. Existing GUI grounding models perform poorly on this dataset, with the best model achieving only 18.9%. Our experiments reveal that strategically reducing the search area enhances accuracy. Based on this insight, we propose ScreenSeekeR, a visual search method that utilizes the GUI knowledge of a strong planner to guide a cascaded search, achieving state-of-the-art performance with 48.1% without any additional training. We hope that our benchmark and findings will advance the development of GUI agents for professional applications. Code, data and leaderboard can be found at https://gui-agent.github.io/grounding-leaderboard.

Recent advancements in tool-equipped Agents (LLMs) have enabled complex tasks like secure database interactions and multi-agent code development. However, scaling tool capacity beyond agent reasoning or model limits remains a challenge. In this paper, we address these challenges by introducing Toolshed Knowledge Bases, a tool knowledge base (vector database) designed to store enhanced tool representations and optimize tool selection for large-scale tool-equipped Agents. Additionally, we propose Advanced RAG-Tool Fusion, a novel ensemble of tool-applied advanced retrieval-augmented generation (RAG) techniques across the pre-retrieval, intra-retrieval, and post-retrieval phases, without requiring model fine-tuning. During pre-retrieval, tool documents are enhanced with key information and stored in the Toolshed Knowledge Base. Intra-retrieval focuses on query planning and transformation to increase retrieval accuracy. Post-retrieval refines the retrieved tool documents and enables self-reflection. Furthermore, by varying both the total number of tools (tool-M) an Agent has access to and the tool selection threshold (top-k), we address trade-offs between retrieval accuracy, agent performance, and token cost. Our approach achieves 46%, 56%, and 47% absolute improvements on the ToolE single-tool, ToolE multi-tool and Seal-Tools benchmark datasets, respectively (Recall@5).

The emergence of LLM-based agents represents a paradigm shift in AI, enabling autonomous systems to plan, reason, use tools, and maintain memory while interacting with dynamic environments. This paper provides the first comprehensive survey of evaluation methodologies for these increasingly capable agents. We systematically analyze evaluation benchmarks and frameworks across four critical dimensions: (1) fundamental agent capabilities, including planning, tool use, self-reflection, and memory; (2) application-specific benchmarks for web, software engineering, scientific, and conversational agents; (3) benchmarks for generalist agents; and (4) frameworks for evaluating agents. Our analysis reveals emerging trends, including a shift toward more realistic, challenging evaluations with continuously updated benchmarks. We also identify critical gaps that future research must address-particularly in assessing cost-efficiency, safety, and robustness, and in developing fine-grained, and scalable evaluation methods. This survey maps the rapidly evolving landscape of agent evaluation, reveals the emerging trends in the field, identifies current limitations, and proposes directions for future research.

The complexity of large language model (LLM) serving workloads has substantially increased due to the integration with external tool invocations, such as ChatGPT plugins. In this paper, we identify a new opportunity for efficient LLM serving for requests that trigger tools: tool partial execution alongside LLM decoding. To this end, we design Conveyor, an efficient LLM serving system optimized for handling requests involving external tools. We introduce a novel interface for tool developers to expose partial execution opportunities to the LLM serving system and a request scheduler that facilitates partial tool execution. Our results demonstrate that tool partial execution can improve request completion latency by up to 38.8%.

To address intricate real-world tasks, there has been a rising interest in tool utilization in applications of large language models (LLMs). To develop LLM-based agents, it usually requires LLMs to understand many tool functions from different tool documentation. But these documentations could be diverse, redundant or incomplete, which immensely affects the capability of LLMs in using tools. To solve this, we introduce EASYTOOL, a framework transforming diverse and lengthy tool documentation into a unified and concise tool instruction for easier tool usage. EasyTool purifies essential information from extensive tool documentation of different sources, and elaborates a unified interface (i.e., tool instruction) to offer standardized tool descriptions and functionalities for LLM-based agents. Extensive experiments on multiple different tasks demonstrate that EasyTool can significantly reduce token consumption and improve the performance of tool utilization in real-world scenarios. Our code will be available at https://github.com/microsoft/JARVIS/ in the future.

Recent advancements in LLM-based agents have demonstrated remarkable capabilities in handling complex, knowledge-intensive tasks by integrating external tools. Among diverse choices of tools, search tools play a pivotal role in accessing vast external knowledge. However, open-source agents still fall short of achieving expert-level Search Intelligence, the ability to resolve ambiguous queries, generate precise searches, analyze results, and conduct thorough exploration. Existing approaches fall short in scalability, efficiency, and data quality. For example, small turn limits in existing online RL methods, e.g. <=10, restrict complex strategy learning. This paper introduces ASearcher, an open-source project for large-scale RL training of search agents. Our key contributions include: (1) Scalable fully asynchronous RL training that enables long-horizon search while maintaining high training efficiency. (2) A prompt-based LLM agent that autonomously synthesizes high-quality and challenging QAs, creating a large-scale QA dataset. Through RL training, our prompt-based QwQ-32B agent achieves substantial improvements, with 46.7% and 20.8% Avg@4 gains on xBench and GAIA, respectively. Notably, our agent exhibits extreme long-horizon search, with tool calls exceeding 40 turns and output tokens exceeding 150k during training time. With a simple agent design and no external LLMs, ASearcher-Web-QwQ achieves Avg@4 scores of 42.1 on xBench and 52.8 on GAIA, surpassing existing open-source 32B agents. We open-source our models, training data, and codes in https://github.com/inclusionAI/ASearcher.

Existing Large Language Models (LLM) can invoke a variety of tools and APIs to complete complex tasks. The computer, as the most powerful and universal tool, could potentially be controlled directly by a trained LLM agent. Powered by the computer, we can hopefully build a more generalized agent to assist humans in various daily digital works. In this paper, we construct an environment for a Vision Language Model (VLM) agent to interact with a real computer screen. Within this environment, the agent can observe screenshots and manipulate the Graphics User Interface (GUI) by outputting mouse and keyboard actions. We also design an automated control pipeline that includes planning, acting, and reflecting phases, guiding the agent to continuously interact with the environment and complete multi-step tasks. Additionally, we construct the ScreenAgent Dataset, which collects screenshots and action sequences when completing a variety of daily computer tasks. Finally, we trained a model, ScreenAgent, which achieved computer control capabilities comparable to GPT-4V and demonstrated more precise UI positioning capabilities. Our attempts could inspire further research on building a generalist LLM agent. The code is available at https://github.com/niuzaisheng/ScreenAgent.

Large Language Models (LLMs) have revolutionized intelligent application development. While standalone LLMs cannot perform any actions, LLM agents address the limitation by integrating tools. However, debugging LLM agents is difficult and costly as the field is still in it's early stage and the community is underdeveloped. To understand the bugs encountered during agent development, we present the first comprehensive study of bug types, root causes, and effects in LLM agent-based software. We collected and analyzed 1,187 bug-related posts and code snippets from Stack Overflow, GitHub, and Hugging Face forums, focused on LLM agents built with seven widely used LLM frameworks as well as custom implementations. For a deeper analysis, we have also studied the component where the bug occurred, along with the programming language and framework. This study also investigates the feasibility of automating bug identification. For that, we have built a ReAct agent named BugReAct, equipped with adequate external tools to determine whether it can detect and annotate the bugs in our dataset. According to our study, we found that BugReAct equipped with Gemini 2.5 Flash achieved a remarkable performance in annotating bug characteristics with an average cost of 0.01 USD per post/code snippet.

Agentic AI enables LLM to dynamically reason, plan, and interact with tools to solve complex tasks. However, agentic workflows often require many iterative reasoning steps and tool invocations, leading to significant operational expense, end-to-end latency and failures due to hallucinations. This work introduces Agent Workflow Optimization (AWO), a framework that identifies and optimizes redundant tool execution patterns to improve the efficiency and robustness of agentic workflows. AWO analyzes existing workflow traces to discover recurring sequences of tool calls and transforms them into meta-tools, which are deterministic, composite tools that bundle multiple agent actions into a single invocation. Meta-tools bypass unnecessary intermediate LLM reasoning steps and reduce operational cost while also shortening execution paths, leading to fewer failures. Experiments on two agentic AI benchmarks show that AWO reduces the number of LLM calls up to 11.9% while also increasing the task success rate by up to 4.2 percent points.

The rise of Large Reasoning Models (LRMs) signifies a paradigm shift toward advanced computational reasoning. Yet, this progress disrupts traditional agent frameworks, traditionally anchored by execution-oriented Large Language Models (LLMs). To explore this transformation, we propose the LaRMA framework, encompassing nine tasks across Tool Usage, Plan Design, and Problem Solving, assessed with three top LLMs (e.g., Claude3.5-sonnet) and five leading LRMs (e.g., DeepSeek-R1). Our findings address four research questions: LRMs surpass LLMs in reasoning-intensive tasks like Plan Design, leveraging iterative reflection for superior outcomes; LLMs excel in execution-driven tasks such as Tool Usage, prioritizing efficiency; hybrid LLM-LRM configurations, pairing LLMs as actors with LRMs as reflectors, optimize agent performance by blending execution speed with reasoning depth; and LRMs' enhanced reasoning incurs higher computational costs, prolonged processing, and behavioral challenges, including overthinking and fact-ignoring tendencies. This study fosters deeper inquiry into LRMs' balance of deep thinking and overthinking, laying a critical foundation for future agent design advancements.

Clinical image interpretation is inherently multi-step and tool-centric: clinicians iteratively combine visual evidence with patient context, quantify findings, and refine their decisions through a sequence of specialized procedures. While LLM-based agents promise to orchestrate such heterogeneous medical tools, existing systems treat tool sets and invocation strategies as static after deployment. This design is brittle under real-world domain shifts, across tasks, and evolving diagnostic requirements, where predefined tool chains frequently degrade and demand costly manual re-design. We propose MACRO, a self-evolving, experience-augmented medical agent that shifts from static tool composition to experience-driven tool discovery. From verified execution trajectories, the agent autonomously identifies recurring effective multi-step tool sequences, synthesizes them into reusable composite tools, and registers these as new high-level primitives that continuously expand its behavioral repertoire. A lightweight image-feature memory grounds tool selection in a visual-clinical context, while a GRPO-like training loop reinforces reliable invocation of discovered composites, enabling closed-loop self-improvement with minimal supervision. Extensive experiments across diverse medical imaging datasets and tasks demonstrate that autonomous composite tool discovery consistently improves multi-step orchestration accuracy and cross-domain generalization over strong baselines and recent state-of-the-art agentic methods, bridging the gap between brittle static tool use and adaptive, context-aware clinical AI assistance. Code will be available upon acceptance.

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

As large language models (LLMs) advance, their inability to autonomously execute tasks by directly interacting with external tools remains a critical limitation. Traditional methods rely on inputting tool descriptions as context, which is constrained by context length and requires separate, often inefficient, retrieval mechanisms. We introduce ToolGen, a paradigm shift that integrates tool knowledge directly into the LLM's parameters by representing each tool as a unique token. This enables the LLM to generate tool calls and arguments as part of its next token prediction capabilities, seamlessly blending tool invocation with language generation. Our framework allows the LLM to access and utilize a vast amount of tools with no additional retrieval step, significantly enhancing both performance and scalability. Experimental results with over 47,000 tools show that ToolGen not only achieves superior results in both tool retrieval and autonomous task completion but also sets the stage for a new era of AI agents that can adapt to tools across diverse domains. By fundamentally transforming tool retrieval into a generative process, ToolGen paves the way for more versatile, efficient, and autonomous AI systems. ToolGen enables end-to-end tool learning and opens opportunities for integration with other advanced techniques such as chain-of-thought and reinforcement learning, thereby expanding the practical capabilities of LLMs.

This paper presents a new tool learning dataset Seal-Tools, which contains self-instruct API-like tools. Seal-Tools not only offers a large number of tools, but also includes instances which demonstrate the practical application of tools. Seeking to generate data on a large scale while ensuring reliability, we propose a self-instruct method to generate tools and instances, allowing precise control over the process. Moreover, our Seal-Tools contains hard instances that call multiple tools to complete the job, among which some are nested tool callings. For precise and comprehensive evaluation, we use strict format control and design three metrics from different dimensions. Therefore, Seal-Tools can serve as a new benchmark to evaluate the tool-calling ability of LLMs. Finally, we evaluate several prevalent LLMs and our finetuned model on Seal-Tools. The results show that current systems are far from perfect. The code, data and experiment results are available at https://github.com/fairyshine/Seal-Tools .

Static Application Security Testing (SAST) tools are essential for identifying software vulnerabilities, but they often produce a high volume of false positives (FPs), imposing a substantial manual triage burden on developers. Recent advances in Large Language Model (LLM) agents offer a promising direction by enabling iterative reasoning, tool use, and environment interaction to refine SAST alerts. However, the comparative effectiveness of different LLM-based agent architectures for FP filtering remains poorly understood. In this paper, we present a comparative study of three state-of-the-art LLM-based agent frameworks, i.e., Aider, OpenHands, and SWE-agent, for vulnerability FP filtering. We evaluate these frameworks using the vulnerabilities from the OWASP Benchmark and real-world open-source Java projects. The experimental results show that LLM-based agents can remove the majority of SAST noise, reducing an initial FP detection rate of over 92% on the OWASP Benchmark to as low as 6.3% in the best configuration. On real-world dataset, the best configuration of LLM-based agents can achieve an FP identification rate of up to 93.3% involving CodeQL alerts. However, the benefits of agents are strongly backbone- and CWE-dependent: agentic frameworks significantly outperform vanilla prompting for stronger models such as Claude Sonnet 4 and GPT-5, but yield limited or inconsistent gains for weaker backbones. Moreover, aggressive FP reduction can come at the cost of suppressing true vulnerabilities, highlighting important trade-offs. Finally, we observe large disparities in computational cost across agent frameworks. Overall, our study demonstrates that LLM-based agents are a powerful but non-uniform solution for SAST FP filtering, and that their practical deployment requires careful consideration of agent design, backbone model choice, vulnerability category, and operational cost.

Large Language Models (LLMs) have shown remarkable capabilities in tool calling and tool usage, but suffer from hallucinations where they choose incorrect tools, provide malformed parameters and exhibit 'tool bypass' behavior by performing simulations and generating outputs instead of invoking specialized tools or external systems. This undermines the reliability of LLM based agents in production systems as it leads to inconsistent results, and bypasses security and audit controls. Such hallucinations in agent tool selection require early detection and error handling. Unlike existing hallucination detection methods that require multiple forward passes or external validation, we present a computationally efficient framework that detects tool-calling hallucinations in real-time by leveraging LLMs' internal representations during the same forward pass used for generation. We evaluate this approach on reasoning tasks across multiple domains, demonstrating strong detection performance (up to 86.4\% accuracy) while maintaining real-time inference capabilities with minimal computational overhead, particularly excelling at detecting parameter-level hallucinations and inappropriate tool selections, critical for reliable agent deployment.

We introduce TAPAS (Task-based Adaptation and Planning using AgentS), a multi-agent framework that integrates Large Language Models (LLMs) with symbolic planning to solve complex tasks without the need for manually defined environment models. TAPAS employs specialized LLM-based agents that collaboratively generate and adapt domain models, initial states, and goal specifications as needed using structured tool-calling mechanisms. Through this tool-based interaction, downstream agents can request modifications from upstream agents, enabling adaptation to novel attributes and constraints without manual domain redefinition. A ReAct (Reason+Act)-style execution agent, coupled with natural language plan translation, bridges the gap between dynamically generated plans and real-world robot capabilities. TAPAS demonstrates strong performance in benchmark planning domains and in the VirtualHome simulated real-world environment.

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

Existing LLM agent systems typically select actions from a fixed and predefined set at every step. While this approach is effective in closed, narrowly-scoped environments, we argue that it presents two major challenges when deploying LLM agents in real-world scenarios: (1) selecting from a fixed set of actions significantly restricts the planning and acting capabilities of LLM agents, and (2) this approach requires substantial human effort to enumerate and implement all possible actions, which becomes impractical in complex environments with a vast number of potential actions. In this work, we propose an LLM agent framework that enables the dynamic creation and composition of actions in an online manner. In this framework, the agent interacts with the environment by generating and executing programs written in a general-purpose programming language at each step. Furthermore, generated actions are accumulated over time for future reuse. Our extensive experiments on the GAIA benchmark demonstrate that this framework offers significantly greater flexibility and outperforms previous methods. Notably, it allows an LLM agent to recover in scenarios where no relevant action exists in the predefined set or when existing actions fail due to unforeseen edge cases. At the time of writing, we hold the top position on the GAIA public leaderboard. Our code can be found in https://github.com/adobe-research/dynasaur{https://github.com/adobe-research/dynasaur}.

Large language models (LLMs) show their powerful automatic reasoning and planning capability with a wealth of semantic knowledge about the human world. However, the grounding problem still hinders the applications of LLMs in the real-world environment. Existing studies try to fine-tune the LLM or utilize pre-defined behavior APIs to bridge the LLMs and the environment, which not only costs huge human efforts to customize for every single task but also weakens the generality strengths of LLMs. To autonomously ground the LLM onto the environment, we proposed the Self-Driven Grounding (SDG) framework to automatically and progressively ground the LLM with self-driven skill learning. SDG first employs the LLM to propose the hypothesis of sub-goals to achieve tasks and then verify the feasibility of the hypothesis via interacting with the underlying environment. Once verified, SDG can then learn generalized skills with the guidance of these successfully grounded subgoals. These skills can be further utilized to accomplish more complex tasks which fail to pass the verification phase. Verified in the famous instruction following task set-BabyAI, SDG achieves comparable performance in the most challenging tasks compared with imitation learning methods that cost millions of demonstrations, proving the effectiveness of learned skills and showing the feasibility and efficiency of our framework.

LA-RCS (LLM-agent-based robot control system) is a sophisticated robot control system designed to autonomously plan, work, and analyze the external environment based on user requirements by utilizing LLM-Agent. Utilizing a dual-agent framework, LA-RCS generates plans based on user requests, observes the external environment, executes the plans, and modifies the plans as needed to adapt to changes in the external conditions. Additionally, LA-RCS interprets natural language commands by the user and converts them into commands compatible with the robot interface so that the robot can execute tasks and meet user requests properly. During his process, the system autonomously evaluates observation results, provides feedback on the tasks, and executes commands based on real-time environmental monitoring, significantly reducing the need for user intervention in fulfilling requests. We categorized the scenarios that LA-RCS needs to perform into four distinct types and conducted a quantitative assessment of its performance in each scenario. The results showed an average success rate of 90 percent, demonstrating the system capability to fulfill user requests satisfactorily. For more extensive results, readers can visit our project page: https://la-rcs.github.io

LLM agents have demonstrated remarkable performance across various applications, primarily due to their advanced capabilities in reasoning, utilizing external knowledge and tools, calling APIs, and executing actions to interact with environments. Current agents typically utilize a memory module or a retrieval-augmented generation (RAG) mechanism, retrieving past knowledge and instances with similar embeddings from knowledge bases to inform task planning and execution. However, the reliance on unverified knowledge bases raises significant concerns about their safety and trustworthiness. To uncover such vulnerabilities, we propose a novel red teaming approach AgentPoison, the first backdoor attack targeting generic and RAG-based LLM agents by poisoning their long-term memory or RAG knowledge base. In particular, we form the trigger generation process as a constrained optimization to optimize backdoor triggers by mapping the triggered instances to a unique embedding space, so as to ensure that whenever a user instruction contains the optimized backdoor trigger, the malicious demonstrations are retrieved from the poisoned memory or knowledge base with high probability. In the meantime, benign instructions without the trigger will still maintain normal performance. Unlike conventional backdoor attacks, AgentPoison requires no additional model training or fine-tuning, and the optimized backdoor trigger exhibits superior transferability, in-context coherence, and stealthiness. Extensive experiments demonstrate AgentPoison's effectiveness in attacking three types of real-world LLM agents: RAG-based autonomous driving agent, knowledge-intensive QA agent, and healthcare EHRAgent. On each agent, AgentPoison achieves an average attack success rate higher than 80% with minimal impact on benign performance (less than 1%) with a poison rate less than 0.1%.

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

We present OnPrem.LLM, a Python-based toolkit for applying large language models (LLMs) to sensitive, non-public data in offline or restricted environments. The system is designed for privacy-preserving use cases and provides prebuilt pipelines for document processing and storage, retrieval-augmented generation (RAG), information extraction, summarization, classification, and prompt/output processing with minimal configuration. OnPrem.LLM supports multiple LLM backends -- including llama.cpp, Ollama, vLLM, and Hugging Face Transformers -- with quantized model support, GPU acceleration, and seamless backend switching. Although designed for fully local execution, OnPrem.LLM also supports integration with a wide range of cloud LLM providers when permitted, enabling hybrid deployments that balance performance with data control. A no-code web interface extends accessibility to non-technical users.

Geologic map, as a fundamental diagram in geology science, provides critical insights into the structure and composition of Earth's subsurface and surface. These maps are indispensable in various fields, including disaster detection, resource exploration, and civil engineering. Despite their significance, current Multimodal Large Language Models (MLLMs) often fall short in geologic map understanding. This gap is primarily due to the challenging nature of cartographic generalization, which involves handling high-resolution map, managing multiple associated components, and requiring domain-specific knowledge. To quantify this gap, we construct GeoMap-Bench, the first-ever benchmark for evaluating MLLMs in geologic map understanding, which assesses the full-scale abilities in extracting, referring, grounding, reasoning, and analyzing. To bridge this gap, we introduce GeoMap-Agent, the inaugural agent designed for geologic map understanding, which features three modules: Hierarchical Information Extraction (HIE), Domain Knowledge Injection (DKI), and Prompt-enhanced Question Answering (PEQA). Inspired by the interdisciplinary collaboration among human scientists, an AI expert group acts as consultants, utilizing a diverse tool pool to comprehensively analyze questions. Through comprehensive experiments, GeoMap-Agent achieves an overall score of 0.811 on GeoMap-Bench, significantly outperforming 0.369 of GPT-4o. Our work, emPowering gEologic mAp holistiC undErstanding (PEACE) with MLLMs, paves the way for advanced AI applications in geology, enhancing the efficiency and accuracy of geological investigations.

LLM agents are expected to complete end-to-end units of work across software tools, business services, and local workspaces. Yet many agent benchmarks freeze a curated task set at release time and grade mainly the final response, making it difficult to evaluate agents against evolving workflow demand or verify whether a task was executed. We introduce Claw-Eval-Live, a live benchmark for workflow agents that separates a refreshable signal layer, updated across releases from public workflow-demand signals, from a reproducible, time-stamped release snapshot. Each release is constructed from public workflow-demand signals, with ClawHub Top-500 skills used in the current release, and materialized as controlled tasks with fixed fixtures, services, workspaces, and graders. For grading, Claw-Eval-Live records execution traces, audit logs, service state, and post-run workspace artifacts, using deterministic checks when evidence is sufficient and structured LLM judging only for semantic dimensions. The release contains 105 tasks spanning controlled business services and local workspace repair, and evaluates 13 frontier models under a shared public pass rule. Experiments reveal that reliable workflow automation remains far from solved: the leading model passes only 66.7% of tasks and no model reaches 70%. Failures are structured by task family and execution surface, with HR, management, and multi-system business workflows as persistent bottlenecks and local workspace repair comparatively easier but unsaturated. Leaderboard rank alone is insufficient because models with similar pass rates can diverge in overall completion, and task-level discrimination concentrates in a middle band of tasks. Claw-Eval-Live suggests that workflow-agent evaluation should be grounded twice, in fresh external demand and in verifiable agent action.

Large language models (LLMs) increasingly rely on multi-turn tool-integrated planning for knowledge-intensive and complex reasoning tasks. Existing implementations typically rely on a single agent, but they suffer from limited context length and noisy tool responses. A natural solution is to adopt a multi-agent framework with planner- and worker-agents to manage context. However, no existing methods support effective reinforcement learning post-training of tool-integrated multi-agent frameworks. To address this gap, we propose Multi-Agent Tool-Integrated Policy Optimization (MATPO), which enables distinct roles (planner and worker) to be trained within a single LLM instance using role-specific prompts via reinforcement learning. MATPO is derived from a principled credit assignment mechanism across planner and worker rollouts. This design eliminates the need to deploy multiple LLMs, which would be memory-intensive, while preserving the benefits of specialization. Experiments on GAIA-text, WebWalkerQA, and FRAMES show that MATPO consistently outperforms single-agent baselines by an average of 18.38% relative improvement in performance and exhibits greater robustness to noisy tool outputs. Our findings highlight the effectiveness of unifying multiple agent roles within a single LLM and provide practical insights for stable and efficient multi-agent RL training.

Large Language Models (LLMs) have shown remarkable advancements in tackling agent-oriented tasks. Despite their potential, existing work faces challenges when deploying LLMs in agent-based environments. The widely adopted agent paradigm ReAct centers on integrating single-step reasoning with immediate action execution, which limits its effectiveness in complex tasks requiring long-term strategic planning. Furthermore, the coordination between the planner and executor during problem-solving is also a critical factor to consider in agent design. Additionally, current approaches predominantly rely on supervised fine-tuning, which often leads models to memorize established task completion trajectories, thereby restricting their generalization ability when confronted with novel problem contexts. To address these challenges, we introduce an adaptive global plan-based agent paradigm AdaPlan, aiming to synergize high-level explicit guidance with execution to support effective long-horizon decision-making. Based on the proposed paradigm, we further put forward PilotRL, a global planning-guided training framework for LLM agents driven by progressive reinforcement learning. We first develop the model's ability to follow explicit guidance from global plans when addressing agent tasks. Subsequently, based on this foundation, we focus on optimizing the quality of generated plans. Finally, we conduct joint optimization of the model's planning and execution coordination. Experiments indicate that PilotRL could achieve state-of-the-art performances, with LLaMA3.1-8B-Instruct + PilotRL surpassing closed-sourced GPT-4o by 3.60%, while showing a more substantial gain of 55.78% comparing to GPT-4o-mini at a comparable parameter scale.

As Large Language Models (LLMs) evolve from passive text generators to active reasoning agents capable of tool interaction, the Model Context Protocol (MCP) has emerged as a standardized framework for dynamic tool discovery and orchestration. Despite widespread industry adoption, existing evaluation methodologies fail to adequately assess tool utilization capabilities within this new paradigm. This paper introduces MCP-RADAR, the first comprehensive benchmark specifically designed to evaluate LLM performance in the MCP framework through a novel five-dimensional approach measuring: answer accuracy, tool selection efficiency, computational resource efficiency, parameter construction accuracy, and execution speed. Unlike conventional benchmarks that rely on subjective human evaluations or binary success metrics, MCP-RADAR employs objective, quantifiable measurements across multiple task domains including software engineering, mathematical reasoning, and general problem-solving. Our evaluations of leading commercial and open-source LLMs reveal distinctive capability profiles with significant trade-offs between accuracy, efficiency, and speed, challenging traditional single-metric performance rankings. Besides, we provide valuable guidance for developers to optimize their tools for maximum model compatibility and effectiveness. While focused on MCP due to its standardized approach, our methodology remains applicable across all LLM agent tool integration frameworks, providing valuable insights for both LLM developers and tool creators to optimize the entire LLM-tool interaction ecosystem. The implementation, configurations, and datasets used in our evaluation are publicly available at https://anonymous.4open.science/r/MCPRadar-B143.

With recent advancements in natural language processing, Large Language Models (LLMs) have emerged as powerful tools for various real-world applications. Despite their prowess, the intrinsic generative abilities of LLMs may prove insufficient for handling complex tasks which necessitate a combination of task planning and the usage of external tools. In this paper, we first propose a structured framework tailored for LLM-based AI Agents and discuss the crucial capabilities necessary for tackling intricate problems. Within this framework, we design two distinct types of agents (i.e., one-step agent and sequential agent) to execute the inference process. Subsequently, we instantiate the framework using various LLMs and evaluate their Task Planning and Tool Usage (TPTU) abilities on typical tasks. By highlighting key findings and challenges, our goal is to provide a helpful resource for researchers and practitioners to leverage the power of LLMs in their AI applications. Our study emphasizes the substantial potential of these models, while also identifying areas that need more investigation and improvement.

Tool calling has emerged as a critical capability for AI agents to interact with the real world and solve complex tasks. While the Model Context Protocol (MCP) provides a powerful standardized framework for tool integration, there is a significant gap in benchmarking how well AI agents can effectively solve multi-step tasks using diverse MCP tools in realistic, dynamic scenarios. In this work, we present LiveMCP-101, a benchmark of 101 carefully curated real-world queries, refined through iterative LLM rewriting and manual review, that require coordinated use of multiple MCP tools including web search, file operations, mathematical reasoning, and data analysis. Moreover, we introduce a novel evaluation approach that leverages ground-truth execution plans rather than raw API outputs, better reflecting the evolving nature of real-world environments. Experiments show that even frontier LLMs achieve a success rate below 60\%, highlighting major challenges in tool orchestration. Detailed ablations and error analysis further reveal distinct failure modes and inefficiencies in token usage, pointing to concrete directions for advancing current models. LiveMCP-101 sets a rigorous standard for evaluating real-world agent capabilities, advancing toward autonomous AI systems that reliably execute complex tasks through tool use.

Building reliable computer-use agents requires grounding: accurately connecting natural language instructions to the correct on-screen elements. While large datasets exist for web and mobile interactions, high-quality resources for desktop environments are limited. To address this gap, we introduce GroundCUA, a large-scale desktop grounding dataset built from expert human demonstrations. It covers 87 applications across 12 categories and includes 56K screenshots, with every on-screen element carefully annotated for a total of over 3.56M human-verified annotations. From these demonstrations, we generate diverse instructions that capture a wide range of real-world tasks, providing high-quality data for model training. Using GroundCUA, we develop the GroundNext family of models that map instructions to their target UI elements. At both 3B and 7B scales, GroundNext achieves state-of-the-art results across five benchmarks using supervised fine-tuning, while requiring less than one-tenth the training data of prior work. Reinforcement learning post-training further improves performance, and when evaluated in an agentic setting on the OSWorld benchmark using o3 as planner, GroundNext attains comparable or superior results to models trained with substantially more data,. These results demonstrate the critical role of high-quality, expert-driven datasets in advancing general-purpose computer-use agents.

The recent development on large multimodal models (LMMs), especially GPT-4V(ision) and Gemini, has been quickly expanding the capability boundaries of multimodal models beyond traditional tasks like image captioning and visual question answering. In this work, we explore the potential of LMMs like GPT-4V as a generalist web agent that can follow natural language instructions to complete tasks on any given website. We propose SEEACT, a generalist web agent that harnesses the power of LMMs for integrated visual understanding and acting on the web. We evaluate on the recent MIND2WEB benchmark. In addition to standard offline evaluation on cached websites, we enable a new online evaluation setting by developing a tool that allows running web agents on live websites. We show that GPT-4V presents a great potential for web agents - it can successfully complete 50% of the tasks on live websites if we manually ground its textual plans into actions on the websites. This substantially outperforms text-only LLMs like GPT-4 or smaller models (FLAN-T5 and BLIP-2) specifically fine-tuned for web agents. However, grounding still remains a major challenge. Existing LMM grounding strategies like set-of-mark prompting turns out not effective for web agents, and the best grounding strategy we develop in this paper leverages both the HTML text and visuals. Yet, there is still a substantial gap with oracle grounding, leaving ample room for further improvement.

Large language model (LLM)-powered agents are increasingly used to plan and execute scientific workflows, yet most research cyberinfrastructure (CI) exposes heterogeneous APIs and implements security models that present barriers for use by agents. We report on our experience using the Model Context Protocol (MCP) as a unifying interface that makes research capabilities discoverable, invokable, and composable. Our approach is pragmatic: we implement thin MCP servers over mature services, including Globus Transfer, Compute, and Search; status APIs exposed by computing facilities; Octopus event fabric; and domain-specific tools such as Garden and Galaxy. We use case studies in computational chemistry, bioinformatics, quantum chemistry, and filesystem monitoring to illustrate how this MCP-oriented architecture can be used in practice. We distill lessons learned and outline open challenges in evaluation and trust for agent-led science.

Large language model (LLM)-based multi-agent systems are challenging to debug because failures often arise from long, branching interaction traces. The prevailing practice is to leverage LLMs for log-based failure localization, attributing errors to a specific agent and step. However, this paradigm has two key limitations: (i) log-only debugging lacks validation, producing untested hypotheses, and (ii) single-step or single-agent attribution is often ill-posed, as we find that multiple distinct interventions can independently repair the failed task. To address the first limitation, we introduce DoVer, an intervention-driven debugging framework, which augments hypothesis generation with active verification through targeted interventions (e.g., editing messages, altering plans). For the second limitation, rather than evaluating on attribution accuracy, we focus on measuring whether the system resolves the failure or makes quantifiable progress toward task success, reflecting a more outcome-oriented view of debugging. Within the Magnetic-One agent framework, on the datasets derived from GAIA and AssistantBench, DoVer flips 18-28% of failed trials into successes, achieves up to 16% milestone progress, and validates or refutes 30-60% of failure hypotheses. DoVer also performs effectively on a different dataset (GSMPlus) and agent framework (AG2), where it recovers 49% of failed trials. These results highlight intervention as a practical mechanism for improving reliability in agentic systems and open opportunities for more robust, scalable debugging methods for LLM-based multi-agent systems. Project website and code will be available at https://aka.ms/DoVer.

LLM-based agents are deployed in safety-critical applications, yet current guardrail systems fail to prevent violations of temporal safety policies, requirements that govern the ordering and sequencing of agent actions. For instance, agents may access sensitive data before authenticating users or process refunds to unauthorized payment methods, violations that require reasoning about sequences of action rather than an individual action. Existing guardrails rely on imprecise natural language instructions or post-hoc monitoring, and provide no formal guarantees that agents will satisfy temporal constraints. We present Agent-C, a novel framework that provides run-time guarantees ensuring LLM agents adhere to formal temporal safety properties. Agent-C introduces a domain-specific language for expressing temporal properties (e.g., authenticate before accessing data), translates specifications to first-order logic, and uses SMT solving to detect non-compliant agent actions during token generation. When the LLM attempts to generate a non-compliant tool call, Agent-C leverages constrained generation techniques to ensure that every action generated by the LLM complies with the specification, and to generate a compliant alternative to a non-compliant agent action. We evaluate Agent-C across two real-world applications: retail customer service and airline ticket reservation system, and multiple language models (open and closed-source). Our results demonstrate that Agent-C achieves perfect safety (100% conformance, 0% harm), while improving task utility compared to state-of-the-art guardrails and unrestricted agents. On SoTA closed-source models, Agent-C improves conformance (77.4% to 100% for Claude Sonnet 4.5 and 83.7% to 100% for GPT-5), while simultaneously increasing utility (71.8% to 75.2% and 66.1% to 70.6%, respectively), representing a new SoTA frontier for reliable agentic reasoning.

Autonomy via agents using large language models (LLMs) for personalized, standardized tasks boosts human efficiency. Automating web tasks (like booking hotels within a budget) is increasingly sought after. Fulfilling practical needs, the web agent also serves as an important proof-of-concept example for various agent grounding scenarios, with its success promising advancements in many future applications. Prior research often handcrafts web agent strategies (e.g., prompting templates, multi-agent systems, search methods, etc.) and the corresponding in-context examples, which may not generalize well across all real-world scenarios. On the other hand, there has been limited study on the misalignment between a web agent's observation/action representation and the pre-training data of the LLM it's based on. This discrepancy is especially notable when LLMs are primarily trained for language completion rather than tasks involving embodied navigation actions and symbolic web elements. Our study enhances an LLM-based web agent by simply refining its observation and action space to better align with the LLM's capabilities. This approach enables our base agent to significantly outperform previous methods on a wide variety of web tasks. Specifically, on WebArena, a benchmark featuring general-purpose web interaction tasks, our agent AgentOccam surpasses the previous state-of-the-art and concurrent work by 9.8 (+29.4%) and 5.9 (+15.8%) absolute points respectively, and boosts the success rate by 26.6 points (+161%) over similar plain web agents with its observation and action space alignment. We achieve this without using in-context examples, new agent roles, online feedback or search strategies. AgentOccam's simple design highlights LLMs' impressive zero-shot performance on web tasks, and underlines the critical role of carefully tuning observation and action spaces for LLM-based agents.

Large language models (LLMs) have proven to work well in question-answering scenarios, but real-world applications often require access to tools for live information or actuation. For this, LLMs can be extended with tools, which are often defined in advance, also allowing for some fine-tuning for specific use cases. However, rapidly evolving software landscapes and individual services require the constant development and integration of new tools. Domain- or company-specific tools can greatly elevate the usefulness of an LLM, but such custom tools can be problematic to integrate, or the LLM may fail to reliably understand and use them. For this, we need strategies to define new tools and integrate them into the LLM dynamically, as well as robust and scalable zero-shot prompting methods that can make use of those tools in an efficient manner. In this paper, we present SAGE, a specialized conversational AI interface, based on the OPACA framework for tool discovery and execution. The integration with OPACA makes it easy to add new tools or services for the LLM to use, while SAGE itself presents rich extensibility and modularity. This not only provides the ability to seamlessly switch between different models (e.g. GPT, LLAMA), but also to add and select prompting methods, involving various setups of differently prompted agents for selecting and executing tools and evaluating the results. We implemented a number of task-solving strategies, making use of agentic concepts and prompting methods in various degrees of complexity, and evaluated those against a comprehensive set of benchmark services. The results are promising and highlight the distinct strengths and weaknesses of different task-solving strategies. Both SAGE and the OPACA framework, as well as the different benchmark services and results, are available as Open Source/Open Data on GitHub.

The modeling of industrial scenes is essential for simulations in industrial manufacturing. While large language models (LLMs) have shown significant progress in generating general 3D scenes from textual descriptions, generating industrial scenes with LLMs poses a unique challenge due to their demand for precise measurements and positioning, requiring complex planning over spatial arrangement. To address this challenge, we introduce SceneGenAgent, an LLM-based agent for generating industrial scenes through C# code. SceneGenAgent ensures precise layout planning through a structured and calculable format, layout verification, and iterative refinement to meet the quantitative requirements of industrial scenarios. Experiment results demonstrate that LLMs powered by SceneGenAgent exceed their original performance, reaching up to 81.0% success rate in real-world industrial scene generation tasks and effectively meeting most scene generation requirements. To further enhance accessibility, we construct SceneInstruct, a dataset designed for fine-tuning open-source LLMs to integrate into SceneGenAgent. Experiments show that fine-tuning open-source LLMs on SceneInstruct yields significant performance improvements, with Llama3.1-70B approaching the capabilities of GPT-4o. Our code and data are available at https://github.com/THUDM/SceneGenAgent .