Daily Papers

Tool-augmented LLM agents introduce security risks that extend beyond user-input filtering, including indirect prompt injection through fetched content, unsafe tool execution, credential leakage, and tampering with local control files. We present OpenClaw PRISM, a zero-fork runtime security layer for OpenClaw-based agent gateways. PRISM combines an in-process plugin with optional sidecar services and distributes enforcement across ten lifecycle hooks spanning message ingress, prompt construction, tool execution, tool-result persistence, outbound messaging, sub-agent spawning, and gateway startup. Rather than introducing a novel detection model, PRISM integrates a hybrid heuristic-plus-LLM scanning pipeline, conversation- and session-scoped risk accumulation with TTL-based decay, policy-enforced controls over tools, paths, private networks, domain tiers, and outbound secret patterns, and a tamper-evident audit and operations plane with integrity verification and hot-reloadable policy management. We outline an evaluation methodology and benchmark pipeline for measuring security effectiveness, false positives, layer contribution, runtime overhead, and operational recoverability in an agent-runtime setting, and we report current preliminary benchmark results on curated same-slice experiments and operational microbenchmarks. The system targets deployable runtime defense for real agent gateways rather than benchmark-only detection.

Tool-augmented large language models (LLMs) are often trained on datasets of query-response pairs, which embed the ability to use tools or APIs directly into the parametric knowledge of LLMs. Tool-augmented LLMs need the ability to forget learned tools due to security vulnerabilities, privacy regulations, or tool deprecations. However, ``tool unlearning'' has not been investigated in unlearning literature. We introduce this novel task, which requires addressing distinct challenges compared to traditional unlearning: knowledge removal rather than forgetting individual samples, the high cost of optimizing LLMs, and the need for principled evaluation metrics. To bridge these gaps, we propose ToolDelete, the first approach for unlearning tools from tool-augmented LLMs. It implements three key properties to address the above challenges for effective tool unlearning and introduces a new membership inference attack (MIA) model for effective evaluation. Extensive experiments on multiple tool learning datasets and tool-augmented LLMs show that ToolDelete effectively unlearns randomly selected tools, while preserving the LLM's knowledge on non-deleted tools and maintaining performance on general tasks.

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.

Training tool-augmented LLMs has emerged as a promising approach to enhancing language models' capabilities for complex tasks. The current supervised fine-tuning paradigm relies on constructing extensive domain-specific datasets to train models. However, this approach often struggles to generalize effectively to unfamiliar or intricate tool-use scenarios. Recently, reinforcement learning (RL) paradigm can endow LLMs with superior reasoning and generalization abilities. In this work, we address a key question: Can the pure RL be used to effectively elicit a model's intrinsic reasoning capabilities and enhance the tool-agnostic generalization? We propose a dynamic generalization-guided reward design for rule-based RL, which progressively shifts rewards from exploratory to exploitative tool-use patterns. Based on this design, we introduce the Tool-Zero series models. These models are trained to enable LLMs to autonomously utilize general tools by directly scaling up RL from Zero models (i.e., base models without post-training). Experimental results demonstrate that our models achieve over 7% performance improvement compared to both SFT and RL-with-SFT models under the same experimental settings. These gains are consistently replicated across cross-dataset and intra-dataset evaluations, validating the effectiveness and robustness of our methods.

Tool-augmented large language models (LLMs) have powered many applications. However, they are likely to suffer from knowledge conflict. In this paper, we propose a new type of knowledge conflict -- Tool-Memory Conflict (TMC), where the internal parametric knowledge contradicts with the external tool knowledge for tool-augmented LLMs. We find that existing LLMs, though powerful, suffer from TMC, especially on STEM-related tasks. We also uncover that under different conditions, tool knowledge and parametric knowledge may be prioritized differently. We then evaluate existing conflict resolving techniques, including prompting-based and RAG-based methods. Results show that none of these approaches can effectively resolve tool-memory conflicts.

Large language models (LLMs) present intriguing opportunities to enhance user interaction with traditional algorithms and tools in real-world applications. An advanced planning system (APS) is a sophisticated software that leverages optimization to help operations planners create, interpret, and modify an operational plan. While highly beneficial, many customers are priced out of using an APS due to the ongoing costs of consultants responsible for customization and maintenance. To address the need for a more accessible APS expressed by supply chain planners, we present SmartAPS, a conversational system built on a tool-augmented LLM. Our system provides operations planners with an intuitive natural language chat interface, allowing them to query information, perform counterfactual reasoning, receive recommendations, and execute scenario analysis to better manage their operation. A short video demonstrating the system has been released: https://youtu.be/KtIrJjlDbyw

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.

Existing tool-augmented large language models (LLMs) encounter significant challenges when processing complex queries. Current frameworks such as ReAct are prone to local optimization traps due to their reliance on incremental decision-making processes. To address these limitations, we propose a novel Planner-centric Plan-Execute paradigm that fundamentally resolves local optimization bottlenecks through architectural innovation. Central to our approach is a novel Planner model that performs global Directed Acyclic Graph (DAG) planning for complex queries, enabling optimized execution beyond conventional tool coordination. We also introduce ComplexTool-Plan, a large-scale benchmark dataset featuring complex queries that demand sophisticated multi-tool composition and coordination capabilities. Additionally, we develop a two-stage training methodology that integrates Supervised Fine-Tuning (SFT) with Group Relative Policy Optimization (GRPO), systematically enhancing the Planner's tool selection accuracy and global planning awareness through structured DAG-based planning. When integrated with a capable executor, our framework achieves state-of-the-art performance on the StableToolBench benchmark for complex user queries, demonstrating superior end-to-end execution capabilities and robust handling of intricate multi-tool workflows.

Recently, tool-augmented LLMs have gained increasing attention. Given an instruction, tool-augmented LLMs can interact with various external tools in multiple rounds and provide a final answer. However, previous LLMs were trained on overly detailed instructions, which included API names or parameters, while real users would not explicitly mention these API details. This leads to a gap between trained LLMs and real-world scenarios. In addition, most works ignore whether the interaction process follows the instruction. To address these issues, we constructed a training dataset called MGToolBench, which contains statement and category-level instructions to better reflect real-world scenarios. In addition, we propose ToolPlanner, a two-stage reinforcement learning framework that utilizes path planning and two feedback mechanisms to enhance the LLM's task completion and instruction-following capabilities. Experimental results show that ToolPlanner significantly improves the Match Rate, Pass Rate and Win Rate by 26.8%, 20.2%, and 5.6% compared to the SOTA model. Human evaluation verifies that the multi-granularity instructions can better align with users' usage habits. Our data and code will be released upon acceptance.

Designing and optimizing task-specific quantum circuits are crucial to leverage the advantage of quantum computing. Recent large language model (LLM)-based quantum circuit generation has emerged as a promising automatic solution. However, the fundamental challenges remain unaddressed: (i) parameterized quantum gates require precise numerical values for optimal performance, which also depend on multiple aspects, including the number of quantum gates, their parameters, and the layout/depth of the circuits. (ii) LLMs often generate low-quality or incorrect quantum circuits due to the lack of quantum domain-specific knowledge. We propose QUASAR, an agentic reinforcement learning (RL) framework for quantum circuits generation and optimization based on tool-augmented LLMs. To align the LLM with quantum-specific knowledge and improve the generated quantum circuits, QUASAR designs (i) a quantum circuit verification approach with external quantum simulators and (ii) a sophisticated hierarchical reward mechanism in RL training. Extensive evaluation shows improvements in both syntax and semantic performance of the generated quantum circuits. When augmenting a 4B LLM, QUASAR has achieved the validity of 99.31% in Pass@1 and 100% in Pass@10, outperforming industrial LLMs of GPT-4o, GPT-5 and DeepSeek-V3 and several supervised-fine-tuning (SFT)-only and RL-only baselines.

Augmented Language Models (ALMs) empower large language models with the ability to use tools, transforming them into intelligent agents for real-world interactions. However, most existing frameworks for ALMs, to varying degrees, are deficient in the following critical features: flexible customization, collaborative democratization, and holistic evaluation. We present gentopia, an ALM framework enabling flexible customization of agents through simple configurations, seamlessly integrating various language models, task formats, prompting modules, and plugins into a unified paradigm. Furthermore, we establish gentpool, a public platform enabling the registration and sharing of user-customized agents. Agents registered in gentpool are composable such that they can be assembled together for agent collaboration, advancing the democratization of artificial intelligence. To ensure high-quality agents, gentbench, an integral component of gentpool, is designed to thoroughly evaluate user-customized agents across diverse aspects such as safety, robustness, efficiency, etc. We release gentopia on Github and will continuously move forward.

Recent research has demonstrated that Large Language Models (LLMs) can enhance their capabilities by utilizing external tools. However, three pivotal questions remain unanswered: (1) How effective are current LLMs in utilizing tools? (2) How can we enhance LLMs' ability to utilize tools? (3) What obstacles need to be overcome to leverage tools? To address these questions, we introduce API-Bank, a groundbreaking benchmark, specifically designed for tool-augmented LLMs. For the first question, we develop a runnable evaluation system consisting of 73 API tools. We annotate 314 tool-use dialogues with 753 API calls to assess the existing LLMs' capabilities in planning, retrieving, and calling APIs. For the second question, we construct a comprehensive training set containing 1,888 tool-use dialogues from 2,138 APIs spanning 1,000 distinct domains. Using this dataset, we train Lynx, a tool-augmented LLM initialized from Alpaca. Experimental results demonstrate that GPT-3.5 exhibits improved tool utilization compared to GPT-3, while GPT-4 excels in planning. However, there is still significant potential for further improvement. Moreover, Lynx surpasses Alpaca's tool utilization performance by more than 26 pts and approaches the effectiveness of GPT-3.5. Through error analysis, we highlight the key challenges for future research in this field to answer the third question.

Tool-augmented LLM agents commonly rely on step-wise atomic tool calls, where each invocation, observation, and value transfer is exposed in the main reasoning trace. This creates an execution-granularity mismatch: locally deterministic tool workflows are unfolded into repeated model-visible decisions, consuming context and forcing the model to manage low-level dataflow in the trace. We introduce HyperTool, a unified executable MCP-style tool interface that changes the model-visible unit of tool execution. A model invokes HyperTool with a code block that can call existing tools through their original schemas, manipulate returned values, and pass intermediate results locally, folding deterministic tool subroutines into a single outer call. To train models to use this interface, we synthesize HyperTool-format trajectories from cross-tool compositional tasks and verify them in real MCP environments. On MCP-Universe, HyperTool improves average accuracy from 15.69\% to 35.29\% on Qwen3-32B and from 9.93\% to 33.33\% on Qwen3-8B, and surpass GPT-OSS and Kimi-k2.5 on average accuracy, showing that our HyperTool can substantially improve multi-step tool use.

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 advancements in integrating large language models (LLMs) with tools have allowed the models to interact with real-world environments. However, these tool-augmented LLMs often encounter incomplete scenarios when users provide partial information or the necessary tools are unavailable. Recognizing and managing such scenarios is crucial for LLMs to ensure their reliability, but this exploration remains understudied. This study examines whether LLMs can identify incomplete conditions and appropriately determine when to refrain from using tools. To this end, we address a dataset by manipulating instances from two datasets by removing necessary tools or essential information for tool invocation. We confirm that most LLMs are challenged to identify the additional information required to utilize specific tools and the absence of appropriate tools. Our research can contribute to advancing reliable LLMs by addressing scenarios that commonly arise during interactions between humans and LLMs.

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.

Tools are essential for large language models (LLMs) to acquire up-to-date information and take consequential actions in external environments. Existing work on tool-augmented LLMs primarily focuses on the broad coverage of tools and the flexibility of adding new tools. However, a critical aspect that has surprisingly been understudied is simply how accurately an LLM uses tools for which it has been trained. We find that existing LLMs, including GPT-4 and open-source LLMs specifically fine-tuned for tool use, only reach a correctness rate in the range of 30% to 60%, far from reliable use in practice. We propose a biologically inspired method for tool-augmented LLMs, simulated trial and error (STE), that orchestrates three key mechanisms for successful tool use behaviors in the biological system: trial and error, imagination, and memory. Specifically, STE leverages an LLM's 'imagination' to simulate plausible scenarios for using a tool, after which the LLM interacts with the tool to learn from its execution feedback. Both short-term and long-term memory are employed to improve the depth and breadth of the exploration, respectively. Comprehensive experiments on ToolBench show that STE substantially improves tool learning for LLMs under both in-context learning and fine-tuning settings, bringing a boost of 46.7% to Mistral-Instruct-7B and enabling it to outperform GPT-4. We also show effective continual learning of tools via a simple experience replay strategy.

Large language models (LLMs) have shown promising capabilities in using external tools to solve complex problems. However, existing approaches either involve fine-tuning on tool demonstrations, which do not generalize to new tools without additional training, or providing tool documentation in context, limiting the number of tools. Both approaches often generate syntactically invalid tool calls. In this paper, we propose ToolDec, a finite-state machine-guided decoding algorithm for tool-augmented LLMs. ToolDec eliminates tool-related errors for any tool-augmented LLMs by ensuring valid tool names and type-conforming arguments. Furthermore, ToolDec enables LLM to effectively select tools using only the information contained in their names, with no need for fine-tuning or in-context documentation. We evaluated multiple prior methods and their ToolDec-enhanced versions on a variety of tasks involving tools like math functions, knowledge graph relations, and complex real-world RESTful APIs. Our experiments show that ToolDec reduces syntactic errors to zero, consequently achieving significantly better performance and as much as a 2x speedup. We also show that ToolDec achieves superior generalization performance on unseen tools, performing up to 8x better than the baselines.

Large Language Models (LLMs) augmented with external tools have demonstrated remarkable capabilities in complex reasoning tasks. However, existing frameworks rely heavily on natural language reasoning to determine when tools can be invoked and whether their results should be committed, lacking formal guarantees for logical safety and verifiability. We present ToolGate, a forward execution framework that provides logical safety guarantees and verifiable state evolution for LLM tool calling. ToolGate maintains an explicit symbolic state space as a typed key-value mapping representing trusted world information throughout the reasoning process. Each tool is formalized as a Hoare-style contract consisting of a precondition and a postcondition, where the precondition gates tool invocation by checking whether the current state satisfies the required conditions, and the postcondition determines whether the tool's result can be committed to update the state through runtime verification. Our approach guarantees that the symbolic state evolves only through verified tool executions, preventing invalid or hallucinated results from corrupting the world representation. Experimental validation demonstrates that ToolGate significantly improves the reliability and verifiability of tool-augmented LLM systems while maintaining competitive performance on complex multi-step reasoning tasks. This work establishes a foundation for building more trustworthy and debuggable AI systems that integrate language models with external tools.

This paper investigates the performance of Large Language Models (LLMs) and Tool-augmented LLMs in tackling complex mathematical reasoning tasks. We introduce IMP-TIP: Improving Math Reasoning with Tool-augmented Interleaf Prompting, a framework that combines the strengths of both LLMs and Tool-augmented LLMs. IMP-TIP follows the ``From Good to Great" concept, collecting multiple potential solutions from both LLMs and their Tool-Augmented counterparts for the same math problem, and then selecting or re-generating the most accurate answer after cross-checking these solutions via tool-augmented interleaf prompting. The framework incorporates two key aspects: self-prompt and tool-augmented interleaf prompting (TIP). The former allows LLMs to autonomously refine and improve an initial prompt related to tool usage, while the latter enables LLMs to derive the final answer by dynamically analyzing the problem, cross-checking potential solutions, and revising previous reasoning hints in an interleaved manner. Experimental analysis shows that IMP-TIP achieves enhanced mathematical capabilities and outperforms traditional LLMs and tool-augmented LLMs in accuracy and reasoning diversity on math reasoning tasks. For instance, IMP-TIP can improve Tool-augmented ChatGPT on GSM8K-Hard from 56.0% to 65.2%.

Although recent tool-augmented benchmarks involve complex requests, evaluation remains limited to answer matching, neglecting critical trajectory aspects like efficiency, hallucination, and adaptivity. The most straightforward method for evaluation is to compare an agent's trajectory with the ground-truth, but annotating all valid ground-truth trajectories is prohibitively expensive. In this manner, we introduce TRACE, a reference-free framework for the multi-dimensional evaluation of tool-augmented LLMs. By incorporating an evidence bank which accumulates knowledge from preceding steps, TRACE assesses an agent's reasoning trajectory effectively. To validate our framework, we develop a new meta-evaluation dataset with diverse and flawed trajectories, each labeled with multi-faceted performance scores. Our results confirm that TRACE accurately evaluates complex trajectories even with small open-source LLMs. Furthermore, we apply our method to evaluate the trajectories that agents produce while solving tool-augmented tasks, presenting previously unreported observations and their corresponding insights.

Tool-augmented LLM agents tend to call tools indiscriminately, even when the model can answer directly. Each unnecessary call wastes API fees and latency, yet no existing benchmark systematically studies when a tool call is actually needed. We propose When2Tool, a benchmark of 18 environments (15 single-hop, 3 multi-hop) spanning three categories of tool necessity -- computational scale, knowledge boundaries, and execution reliability -- each with controlled difficulty levels that create a clear decision boundary between tool-necessary and tool-unnecessary tasks. We evaluate two families of training-free baselines: Prompt-only (varying the prompt to discourage unnecessary calls) and Reason-then-Act (requiring the model to reason about tool necessity before acting). Both provide limited control: Prompt-only suppresses necessary calls alongside unnecessary ones, and Reason-then-Act still incurs a disproportionate accuracy cost on hard tasks. To understand why these baselines fail, we probe the models' hidden states and find that tool necessity is linearly decodable from the pre-generation representation with AUROC 0.89--0.96 across six models, substantially exceeding the model's own verbalized reasoning. This reveals that models already know when tools are needed, but fail to act on this knowledge during generation. Building on this finding, we propose Probe&Prefill, which uses a lightweight linear probe to read the hidden-state signal and prefills the model's response with a steering sentence. Across all models tested, Probe&Prefill reduces tool calls by 48% with only 1.7% accuracy loss, while the best baseline at comparable accuracy only reduces 6% of tool calls, or achieves a similar tool call reduction but incurs a 5times higher accuracy loss. Our code is available at https://github.com/Trustworthy-ML-Lab/when2tool

Real-world multi-modal problems are rarely solved by a single machine learning model, and often require multi-step computational plans that involve stitching several models. Tool-augmented LLMs hold tremendous promise for automating the generation of such computational plans. However, the lack of standardized benchmarks for evaluating LLMs as planners for multi-step multi-modal tasks has prevented a systematic study of planner design decisions. Should LLMs generate a full plan in a single shot or step-by-step? Should they invoke tools directly with Python code or through structured data formats like JSON? Does feedback improve planning? To answer these questions and more, we introduce m&m's: a benchmark containing 4K+ multi-step multi-modal tasks involving 33 tools that include multi-modal models, (free) public APIs, and image processing modules. For each of these task queries, we provide automatically generated plans using this realistic toolset. We further provide a high-quality subset of 1,565 task plans that are human-verified and correctly executable. With m&m's, we evaluate 6 popular LLMs with 2 planning strategies (multi-step vs. step-by-step planning), 2 plan formats (JSON vs. code), and 3 types of feedback (parsing/verification/execution). Finally, we summarize takeaways from our extensive experiments. Our dataset and code are available on HuggingFace (https://huggingface.co/datasets/zixianma/mnms) and Github (https://github.com/RAIVNLab/mnms).

Fast Healthcare Interoperability Resources (FHIR) is the dominant standard for interoperable exchange of healthcare data. In FHIR, electronic health records form a directed graph of resources. Answering clinically meaningful questions over FHIR requires agents to perform multi-step reasoning, filtering, and aggregation across multiple resource types. Prior work shows that even tool-augmented LLM agents (retrieval, code execution, multi-turn planning) often select the wrong resources or violate traversal constraints. We study this problem in the context of FHIR-AgentBench, a benchmark for realistic question answering over real-world hospital data, and frame reasoning on FHIR as a sequential decision-making problem over a queryable structured graph. We implement a multi-turn CodeAct agent and post-train it with reinforcement learning using a custom harness and tools. A LLM Judge provides execution-grounded rewards. Compared to prompt-based, closed-model baselines, RL post-training improves performance while enforcing data-integrity constraints. Empirically, our approach improves answer correctness from 50% (o4-mini) to 77% on FHIR-AgentBench using a smaller and cheaper Qwen3-8B model. We present an end-to-end post-training pipeline (environment building, harness construction, model training and custom evaluation) that reliably improves multi-turn reasoning over structured clinical graphs.

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.

Recent advancements in large language models (LLMs) integrated with external tools and APIs have successfully addressed complex tasks by using in-context learning or fine-tuning. Despite this progress, the vast scale of tool retrieval remains challenging due to stringent input length constraints. In response, we propose a pre-retrieval strategy from an extensive repository, effectively framing the problem as the massive tool retrieval (MTR) task. We introduce the MTRB (massive tool retrieval benchmark) to evaluate real-world tool-augmented LLM scenarios with a large number of tools. This benchmark is designed for low-resource scenarios and includes a diverse collection of tools with descriptions refined for consistency and clarity. It consists of three subsets, each containing 90 test samples and 10 training samples. To handle the low-resource MTR task, we raise a new query-tool alignment (QTA) framework leverages LLMs to enhance query-tool alignment by rewriting user queries through ranking functions and the direct preference optimization (DPO) method. This approach consistently outperforms existing state-of-the-art models in top-5 and top-10 retrieval tasks across the MTRB benchmark, with improvements up to 93.28% based on the metric Sufficiency@k, which measures the adequacy of tool retrieval within the first k results. Furthermore, ablation studies validate the efficacy of our framework, highlighting its capacity to optimize performance even with limited annotated samples. Specifically, our framework achieves up to 78.53% performance improvement in Sufficiency@k with just a single annotated sample. Additionally, QTA exhibits strong cross-dataset generalizability, emphasizing its potential for real-world applications.

Uncertainty estimation is a significant issue for current large language models (LLMs) that are generally poorly calibrated and over-confident, especially with reinforcement learning from human feedback (RLHF). Unlike humans, whose decisions and confidences not only stem from intrinsic beliefs but can also be adjusted through daily observations, existing calibration methods for LLMs focus on estimating or eliciting individual confidence without taking full advantage of the "Collective Wisdom": the interaction among multiple LLMs that can collectively improve both accuracy and calibration. In this work, we propose Collaborative Calibration, a post-hoc training-free calibration strategy that leverages the collaborative and expressive capabilities of multiple tool-augmented LLM agents in a simulated group deliberation process. We demonstrate the effectiveness of Collaborative Calibration on generative QA tasks across various domains, showing its potential in harnessing the rationalization of collectively calibrated confidence assessments and improving the reliability of model predictions.

Information graphics are pivotal in effective information dissemination and storytelling. However, creating such graphics is extremely challenging for non-professionals, since the design process requires multifaceted skills and comprehensive knowledge. Thus, despite the many available authoring tools, a significant gap remains in enabling non-experts to produce compelling information graphics seamlessly, especially from scratch. Recent breakthroughs show that Large Language Models (LLMs), especially when tool-augmented, can autonomously engage with external tools, making them promising candidates for enabling innovative graphic design applications. In this work, we propose a LLM-centric interface with the agent GraphiMind for automatic generation, recommendation, and composition of information graphics design resources, based on user intent expressed through natural language. Our GraphiMind integrates a Textual Conversational Interface, powered by tool-augmented LLM, with a traditional Graphical Manipulation Interface, streamlining the entire design process from raw resource curation to composition and refinement. Extensive evaluations highlight our tool's proficiency in simplifying the design process, opening avenues for its use by non-professional users. Moreover, we spotlight the potential of LLMs in reshaping the domain of information graphics design, offering a blend of automation, versatility, and user-centric interactivity.

Recently, integrating external tools with Large Language Models (LLMs) has gained significant attention as an effective strategy to mitigate the limitations inherent in their pre-training data. However, real-world systems often incorporate a wide array of tools, making it impractical to input all tools into LLMs due to length limitations and latency constraints. Therefore, to fully exploit the potential of tool-augmented LLMs, it is crucial to develop an effective tool retrieval system. Existing tool retrieval methods primarily focus on semantic matching between user queries and tool descriptions, frequently leading to the retrieval of redundant, similar tools. Consequently, these methods fail to provide a complete set of diverse tools necessary for addressing the multifaceted problems encountered by LLMs. In this paper, we propose a novel modelagnostic COllaborative Learning-based Tool Retrieval approach, COLT, which captures not only the semantic similarities between user queries and tool descriptions but also takes into account the collaborative information of tools. Specifically, we first fine-tune the PLM-based retrieval models to capture the semantic relationships between queries and tools in the semantic learning stage. Subsequently, we construct three bipartite graphs among queries, scenes, and tools and introduce a dual-view graph collaborative learning framework to capture the intricate collaborative relationships among tools during the collaborative learning stage. Extensive experiments on both the open benchmark and the newly introduced ToolLens dataset show that COLT achieves superior performance. Notably, the performance of BERT-mini (11M) with our proposed model framework outperforms BERT-large (340M), which has 30 times more parameters. Furthermore, we will release ToolLens publicly to facilitate future research on tool retrieval.

There is a growing need for Large Language Models (LLMs) to effectively use tools and external Application Programming Interfaces (APIs) to plan and complete tasks. As such, there is tremendous interest in methods that can acquire sufficient quantities of train and test data that involve calls to tools / APIs. Two lines of research have emerged as the predominant strategies for addressing this challenge. The first has focused on synthetic data generation techniques, while the second has involved curating task-adjacent datasets which can be transformed into API / Tool-based tasks. In this paper, we focus on the task of identifying, curating, and transforming existing datasets and, in turn, introduce API-BLEND, a large corpora for training and systematic testing of tool-augmented LLMs. The datasets mimic real-world scenarios involving API-tasks such as API / tool detection, slot filling, and sequencing of the detected APIs. We demonstrate the utility of the API-BLEND dataset for both training and benchmarking purposes.

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.

Tool-augmented LLMs are increasingly deployed as agents that interleave natural-language reasoning with executable Python actions, as in CodeAct-style frameworks. In deployment, these agents rely on runtime state that persists across steps. By contrast, common training pipelines treat agent traces as token sequences, with execution semantics left implicit. This raises a data-centric question: Is state persistence merely an inference-time scaffold, or can models learn to exploit it when training data exposes the corresponding execution semantics? We isolate state persistence as a training-time variable. We introduce Opaque Knapsack, a procedurally generated family of partially observable optimization tasks designed to prevent one-shot solutions. Item attributes and constraints are hidden behind budgeted tool calls, forcing multi-turn control flow and iterative state revision. Holding task instances, prompts, tools, model, and supervision fixed, we generate paired trajectories differing only in whether interpreter state persists across steps or resets after each action. We then fine-tune identical base models (Qwen3-8B) on each trace variant and evaluate all four train-runtime combinations. Our 2x2 cross-evaluation shows that execution semantics primarily affect how agents reach solutions, not whether they do: solution quality is statistically indistinguishable across conditions, but token cost and stability differ substantially. A persistent-trained model in a stateless runtime triggers missing-variable errors in roughly 80% of episodes; a stateless-trained model in a persistent runtime redundantly re-derives retained state, using roughly 3.5x more tokens. Interpreter persistence should be treated as a first-class semantic of agent traces. Aligning fine-tuning data with deployment runtimes improves efficiency and reduces brittle train-runtime mismatches.

Organizing a large-scale knowledge graph into a typed property graph requires structural decisions -- which entities become nodes, which properties become edges, and what schema governs these choices. Existing approaches embed these decisions in pipeline code or extract relations ad hoc, producing schemas that are tightly coupled to their construction process and difficult to reuse for downstream ontology-level tasks. We present an ontology-oriented approach in which the schema is designed from the outset for ontology analysis, entity disambiguation, domain customization, and LLM-guided extraction -- not merely as a byproduct of graph building. The core mechanism is intrinsic-relational routing, which classifies every property as either intrinsic or relational and routes it to the corresponding schema module. This routing produces a declarative schema that is portable across storage backends and independently reusable. We instantiate the approach on the January 2026 Wikidata dump. A rule-based cleaning stage identifies a 34.6M-entity core set from the full dump, followed by iterative intrinsic-relational routing that assigns each property to one of 94 modules organized into 8 categories. With tool-augmented LLM support and human review, the schema reaches 93.3% category coverage and 98.0% module assignment among classified entities. Exporting this schema yields a property graph with 34.0M nodes and 61.2M edges across 38 relationship types. We validate the ontology-oriented claim through five applications that consume the schema independently of the construction pipeline: ontology structure analysis, benchmark annotation auditing, entity disambiguation, domain customization, and LLM-guided extraction.

Agentic task-solving with Large Language Models (LLMs) requires multi-turn, multi-step interactions, often involving complex function calls and dynamic user-agent exchanges. Existing simulation-based data generation methods for such scenarios rely heavily on costly autoregressive interactions between multiple LLM agents, thereby limiting real-world performance of agentic tasks. In this paper, we propose a novel Non-Autoregressive Iterative Generation framework, called ToolACE-MT, for constructing high-quality multi-turn agentic dialogues. ToolACE-MT generates full conversational trajectories through three stages: coarse-grained initialization, iterative refinement, and offline verification. The initialization phase builds a structurally complete yet semantically coarse dialogue skeleton; the iterative refinement phase introduces realistic complexities and continued refinement via mask-and-fill operations; and the offline verification phase ensures correctness and coherence via rule- and model-based checks. Experiments demonstrate that ToolACE-MT enables efficient, effective and generalizable agentic data generation, offering a new paradigm for high-quality data construction in tool-augmented LLM scenarios.

We present S1-Omni, a unified multimodal reasoning model for scientific understanding, prediction, and generation. AI for Science (AI4S) has advanced significantly through domain-specific models, tool-augmented LLMs, and scientific language models. However, model capabilities remain highly fragmented, limiting the joint modeling of heterogeneous data, scientific laws, and expert knowledge. S1-Omni addresses this gap by consolidating these capabilities into a single, coherent scientific reasoning model. The architecture of S1-Omni is built upon three core components: unified representation of scientific data, natural-world knowledge alignment, and decoding for domain-specific tasks. First, S1-Omni maps natural-language instructions and scientific objects, including CIF, SMILES, protein sequences, spectra, and scientific images, into a shared representation space. Second, it incorporates scientific laws and expert knowledge into data construction and training, enabling the model to reason from scientific evidence. Third, it performs task-specific decoding to support a broad range of applications, including property prediction, spectrum-to-molecular generation, protein site and structure prediction, and scientific image generation and editing. S1-Omni is trained on S1-Omni-Corpus, which covers 200 scientific tasks and contains millions of reasoning samples, and is evaluated on over 60 scientific benchmarks. It outperforms GPT-5.5 and Gemini-3.1-Pro on most benchmarks and matches or surpasses domain-specific models on several benchmarks. Overall, S1-Omni provides a practical path toward unified scientific modeling.

Large Language Models (LLMs) are increasingly deployed in agentic systems that interact with an external environment; this makes them susceptible to prompt injections when dealing with untrusted data. To overcome this limitation, we propose SIC (Soft Instruction Control)-a simple yet effective iterative prompt sanitization loop designed for tool-augmented LLM agents. Our method repeatedly inspects incoming data for instructions that could compromise agent behavior. If such content is found, the malicious content is rewritten, masked, or removed, and the result is re-evaluated. The process continues until the input is clean or a maximum iteration limit is reached; if imperative instruction-like content remains, the agent halts to ensure security. By allowing multiple passes, our approach acknowledges that individual rewrites may fail but enables the system to catch and correct missed injections in later steps. Although immediately useful, worst-case analysis shows that SIC is not infallible; strong adversary can still get a 15% ASR by embedding non-imperative workflows. This nonetheless raises the bar.

Chain-of-thought (CoT) via prompting is the de facto method for eliciting reasoning capabilities from large language models (LLMs). But for what kinds of tasks is this extra ``thinking'' really helpful? To analyze this, we conducted a quantitative meta-analysis covering over 100 papers using CoT and ran our own evaluations of 20 datasets across 14 models. Our results show that CoT gives strong performance benefits primarily on tasks involving math or logic, with much smaller gains on other types of tasks. On MMLU, directly generating the answer without CoT leads to almost identical accuracy as CoT unless the question or model's response contains an equals sign, indicating symbolic operations and reasoning. Following this finding, we analyze the behavior of CoT on these problems by separating planning and execution and comparing against tool-augmented LLMs. Much of CoT's gain comes from improving symbolic execution, but it underperforms relative to using a symbolic solver. Our results indicate that CoT can be applied selectively, maintaining performance while saving inference costs. Furthermore, they suggest a need to move beyond prompt-based CoT to new paradigms that better leverage intermediate computation across the whole range of LLM applications.

Large language models (LLMs) demonstrate strong mathematical reasoning, but reliance on closed-source APIs for OR tasks raises privacy concerns, and training open-source models from scratch incurs high compute costs. We introduce OR-Toolformer, which fine-tunes Llama-3.1-8B-Instruct with a semi-automatic data synthesis pipeline that generates diverse OR problem-answer pairs and augments the model with external solvers to produce API calls. On three of four standard benchmarks, OR-Toolformer achieves up to 80.1% execution accuracy, exceeding size-matched baselines by over 4.3%. In zero-shot evaluation on two unseen OR problem types, it attains 54% average accuracy, a 21 percentage-point improvement over the strongest baseline. These findings validate the efficacy of tool-augmented fine-tuning LLMs for accurate and generalizable OR problem modeling and solving.

By providing external information to large language models (LLMs), tool augmentation (including retrieval augmentation) has emerged as a promising solution for addressing the limitations of LLMs' static parametric memory. However, how receptive are LLMs to such external evidence, especially when the evidence conflicts with their parametric memory? We present the first comprehensive and controlled investigation into the behavior of LLMs when encountering knowledge conflicts. We propose a systematic framework to elicit high-quality parametric memory from LLMs and construct the corresponding counter-memory, which enables us to conduct a series of controlled experiments. Our investigation reveals seemingly contradicting behaviors of LLMs. On the one hand, different from prior wisdom, we find that LLMs can be highly receptive to external evidence even when that conflicts with their parametric memory, given that the external evidence is coherent and convincing. On the other hand, LLMs also demonstrate a strong confirmation bias when the external evidence contains some information that is consistent with their parametric memory, despite being presented with conflicting evidence at the same time. These results pose important implications that are worth careful consideration for the further development and deployment of tool- and retrieval-augmented LLMs.

LLM-generated peer reviews are increasingly common at major venues, yet their deficiencies are hard to detect because they are uniformly fluent and well-structured. Existing work either classifies authorship without judging quality, or scores quality with features designed for human-written reviews; no prior system detects deficiencies in LLM-generated reviews at the level of individual defect types. To bridge the gap, we introduce TADDLE, a Tool-Augmented Agent for Detecting Deficient LLM-Generated Peer Reviews, together with the first expert-annotated benchmark for this task. Our benchmark comprises 1,800 reviews on 50 ICLR 2025 papers, multi-label-annotated by 18 domain experts against a taxonomy of six defect categories (plus a non-deficient label). TADDLE decomposes detection into four specialized analysis tools -- Verify, Correct, Complete, and Transform -- orchestrated by an agent; an integrator synthesizes their outputs into binary and multi-label classifications via two-stage semi-supervised learning. Extensive experiments show that TADDLE performs strongly on both binary detection and the multi-label classification task. We release the benchmark and code at https://github.com/AquariusAQ/TADDLE.

Tool-Augmented Larage Language Models (TA-LLMs) have shown promise in real-world applications, but face challenges in handling incomplete queries and out-of-scope requests. While existing approaches rely mainly on Supervised Fine-Tuning with expert trajectories, we propose DiaTool-DPO, a novel method that enhances TA-LLM's dialogue capabilities through Direct Preference Optimization. We model TA-LLM interactions as a Markov Decision Process with 5 distinct dialogue states and categorize user queries into 3 types based on their state transition trajectories. We automatically construct paired trajectory datasets of correct and incorrect dialogue flows and introduce a specialized objective loss for dialogue control. Our comprehensive evaluation demonstrates that DiaTool-DPO approaches GPT-4o's performance (94.8% in information gathering, 91% in tool call rejection) with substantial improvements over baseline (44% and 9.6% respectively) while maintaining core functionality. Our approach opens new possibilities for developing TA-LLMs that can handle diverse real-world scenarios without requiring additional expert demonstrations or human labeling.

Tool-augmented large language models (LLMs) are rapidly being integrated into real-world applications. Due to the lack of benchmarks, the community still needs to fully understand the hallucination issues within these models. To address this challenge, we introduce a comprehensive diagnostic benchmark, ToolBH. Specifically, we assess the LLM's hallucinations through two perspectives: depth and breadth. In terms of depth, we propose a multi-level diagnostic process, including (1) solvability detection, (2) solution planning, and (3) missing-tool analysis. For breadth, we consider three scenarios based on the characteristics of the toolset: missing necessary tools, potential tools, and limited functionality tools. Furthermore, we developed seven tasks and collected 700 evaluation samples through multiple rounds of manual annotation. The results show the significant challenges presented by the ToolBH benchmark. The current advanced models Gemini-1.5-Pro and GPT-4o only achieve a total score of 45.3 and 37.0, respectively, on a scale of 100. In this benchmark, larger model parameters do not guarantee better performance; the training data and response strategies also play a crucial role in tool-enhanced LLM scenarios. Our diagnostic analysis indicates that the primary reason for model errors lies in assessing task solvability. Additionally, open-weight models suffer from performance drops with verbose replies, whereas proprietary models excel with longer reasoning.

Recent advances in large language models (LLMs) have popularized test-time scaling, where models generate additional reasoning tokens before producing final answers. These approaches have demonstrated significant performance improvements on benchmarks involving mathematical reasoning. However, language models relying solely on direct inference still struggle with tasks demanding up-to-date knowledge or computational tools such as calculators and code interpreters for complex arithmetic operations. To overcome these limitations, we propose Tool-Augmented Policy Optimization (TAPO), a novel reinforcement learning framework that systematically integrates multi-hop reasoning with adaptive tool-calling capabilities. Our approach employs a modified version of Dynamic Sampling Policy Optimization (DAPO), a recently developed RL paradigm, which we adapt specifically for tool invocation scenarios, enabling models to dynamically interleave complex reasoning with on-demand tool usage (including search APIs and Python interpreters). To support this research, we introduce two new datasets: TAPO-easy-60K and TAPO-hard-18K, specifically designed to train and evaluate both fact-based reasoning and mathematical calculation capabilities. Our experiments on Qwen2.5-3B and Qwen2.5-7B models demonstrate the effectiveness of our approach, with both models achieving state-of-the-art performance on tasks requiring external knowledge and mathematical computation among methods with comparable parameters. Notably, TAPO achieves more efficient tool utilization than baseline methods while preventing excessive calls caused by reward hacking. These results highlight the significant potential of combining advanced reasoning with tool usage to enhance model performance in knowledge-intensive and computationally demanding tasks.

Scientific reasoning poses an excessive challenge for even the most advanced Large Language Models (LLMs). To make this task more practical and solvable for LLMs, we introduce a new task setting named tool-augmented scientific reasoning. This setting supplements LLMs with scalable toolsets, and shifts the focus from pursuing an omniscient problem solver to a proficient tool-user. To facilitate the research of such setting, we construct a tool-augmented training corpus named MathFunc which encompasses over 30,000 samples and roughly 6,000 tools. Building on MathFunc, we develop SciAgent to retrieve, understand and, if necessary, use tools for scientific problem solving. Additionally, we craft a benchmark, SciToolBench, spanning five scientific domains to evaluate LLMs' abilities with tool assistance. Extensive experiments on SciToolBench confirm the effectiveness of SciAgent. Notably, SciAgent-Mistral-7B surpasses other LLMs with the same size by more than 13% in absolute accuracy. Furthermore, SciAgent-DeepMath-7B shows much superior performance than ChatGPT.

The advent of Large Language Models (LLMs) is transforming search engines into conversational AI search products, primarily using Retrieval-Augmented Generation (RAG) on web corpora. However, this paradigm has significant industrial limitations. Traditional RAG approaches struggle with real-time needs and structured queries that require accessing dynamically generated content like ticket availability or inventory. Limited to indexing static pages, search engines cannot perform the interactive queries needed for such time-sensitive data. Academic research has focused on optimizing RAG for static content, overlooking complex intents and the need for dynamic sources like databases and real-time APIs. To bridge this gap, we introduce TURA (Tool-Augmented Unified Retrieval Agent for AI Search), a novel three-stage framework that combines RAG with agentic tool-use to access both static content and dynamic, real-time information. TURA has three key components: an Intent-Aware Retrieval module to decompose queries and retrieve information sources encapsulated as Model Context Protocol (MCP) Servers, a DAG-based Task Planner that models task dependencies as a Directed Acyclic Graph (DAG) for optimal parallel execution, and a lightweight Distilled Agent Executor for efficient tool calling. TURA is the first architecture to systematically bridge the gap between static RAG and dynamic information sources for a world-class AI search product. Serving tens of millions of users, it leverages an agentic framework to deliver robust, real-time answers while meeting the low-latency demands of a large-scale industrial system.

Although large language models (LLMs) have achieved excellent performance in a variety of evaluation benchmarks, they still struggle in complex reasoning tasks which require specific knowledge and multi-hop reasoning. To improve the reasoning abilities, we propose ChatCoT, a tool-augmented chain-of-thought reasoning framework for chat-based LLMs. In ChatCoT, we model the chain-of-thought~(CoT) reasoning as multi-turn conversations, to utilize tools in a more natural way through chatting. At each turn, LLMs can either interact with tools or perform the reasoning. Our approach can effectively leverage the multi-turn conversation ability of chat-based LLMs, and integrate the thought chain following and tools manipulation in a unified way. Specially, we initialize the early turns of the conversation by the tools, tasks and reasoning format, and propose an iterative tool-augmented reasoning step to perform step-by-step tool-augmented reasoning. The experiment results on two complex reasoning datasets (MATH and HotpotQA) have shown the effectiveness of ChatCoT on complex reasoning tasks, achieving a 6.8\% relative improvement over the state-of-the-art baseline. Our code and data are available at: https://github.com/RUCAIBOX/ChatCoT.

Tool-augmented Large Language Models (TALM) are known to enhance the skillset of large language models (LLM), thereby, leading to their improved reasoning abilities across many tasks. While, TALMs have been successfully employed in different question-answering benchmarks, their efficacy on complex mathematical reasoning benchmarks, and the potential complimentary benefits offered by tools for knowledge retrieval and mathematical equation solving, are open research questions. In this work, we present MATHSENSEI, a tool-augmented large language model for mathematical reasoning. Augmented with tools for knowledge retrieval (Bing Web Search), program execution (Python), and symbolic equation solving (Wolfram-Alpha), we study the complimentary benefits of these tools through evaluations on mathematical reasoning datasets. We perform exhaustive ablations on MATH,a popular dataset for evaluating mathematical reasoning on diverse mathematical disciplines. We also conduct experiments involving well-known tool planners to study the impact of tool sequencing on the model performance. MATHSENSEI achieves 13.5% better accuracy over gpt-3.5-turbo with chain-of-thought on the MATH dataset. We further observe that TALMs are not as effective for simpler math word problems (in GSM-8k), and the benefit increases as the complexity and required knowledge increases (progressively over AQuA, MMLU-Math, and higher level complex questions in MATH). The code and data are available at https://github.com/Debrup-61/MathSensei.

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.

Tool calling is a critical capability that allows Large Language Models (LLMs) to interact with external systems, significantly expanding their utility. However, research and resources for tool calling are predominantly English-centric, leaving a gap in our understanding of how to enable this functionality for other languages, such as Arabic. This paper investigates three key research questions: (1) the necessity of in-language (Arabic) tool-calling data versus relying on cross-lingual transfer, (2) the effect of general-purpose instruction tuning on tool-calling performance, and (3) the value of fine-tuning on specific, high-priority tools. To address these questions, we conduct extensive experiments using base and post-trained variants of an open-weight Arabic LLM. To enable this study, we bridge the resource gap by translating and adapting two open-source tool-calling datasets into Arabic. Our findings provide crucial insights into the optimal strategies for developing robust tool-augmented agents for Arabic.

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.

Effective information seeking in the vast and ever-growing digital landscape requires balancing expansive search with strategic reasoning. Current large language model (LLM)-based agents struggle to achieve this balance due to limitations in search breadth and reasoning depth, where slow, serial querying restricts coverage of relevant sources and noisy raw inputs disrupt the continuity of multi-step reasoning. To address these challenges, we propose BrowseMaster, a scalable framework built around a programmatically augmented planner-executor agent pair. The planner formulates and adapts search strategies based on task constraints, while the executor conducts efficient, targeted retrieval to supply the planner with concise, relevant evidence. This division of labor preserves coherent, long-horizon reasoning while sustaining broad and systematic exploration, overcoming the trade-off that limits existing agents. Extensive experiments on challenging English and Chinese benchmarks show that BrowseMaster consistently outperforms open-source and proprietary baselines, achieving scores of 30.0 on BrowseComp-en and 46.5 on BrowseComp-zh, which demonstrates its strong capability in complex, reasoning-heavy information-seeking tasks at scale.

Table reasoning requires models to jointly perform comprehensive semantic understanding and precise numerical operations. Although recent large language model (LLM)-based methods have achieved promising results, most of them still rely on a single-turn reasoning paradigm that processes flattened tables in a single forward pass. This paradigm suffers from inherent limitations, including context overflow on large tables, weak sensitivity to continuous numerical values, and the absence of explicit tool-use and reflection. In this paper, we propose TableMind, a tuning-based autonomous programmatic table agent that simulates the human-like cognitive schema of the multi-turn interaction within a lightweight LLM. Instead of adopting a training-free workflow design, TableMind learns to internalize planning, action, and reflection through a principled two-stage training strategy. To bootstrap structured table reasoning capabilities, we construct and filter high-quality reasoning data for the supervised fine-tuning (SFT) stage. To enable precise code generation, we introduce a designed multi-perspective reward scheme and a novel optimization objective in the reinforcement learning (RL) stage. Extensive experiments on diverse benchmarks demonstrate that TableMind consistently outperforms previous baselines, validating the effectiveness of training autonomous agents to improve overall performance.

The integration of Large Language Models (LLMs) into Geographic Information Systems (GIS) marks a paradigm shift toward autonomous spatial analysis. However, evaluating these LLM-based agents remains challenging due to the complex, multi-step nature of geospatial workflows. Existing benchmarks primarily rely on static text or code matching, neglecting dynamic runtime feedback and the multimodal nature of spatial outputs. To address this gap, we introduce GeoAgentBench (GABench), a dynamic and interactive evaluation benchmark tailored for tool-augmented GIS agents. GABench provides a realistic execution sandbox integrating 117 atomic GIS tools, encompassing 53 typical spatial analysis tasks across 6 core GIS domains. Recognizing that precise parameter configuration is the primary determinant of execution success in dynamic GIS environments, we designed the Parameter Execution Accuracy (PEA) metric, which utilizes a "Last-Attempt Alignment" strategy to quantify the fidelity of implicit parameter inference. Complementing this, a Vision-Language Model (VLM) based verification is proposed to assess data-spatial accuracy and cartographic style adherence. Furthermore, to address the frequent task failures caused by parameter misalignments and runtime anomalies, we developed a novel agent architecture, Plan-and-React, that mimics expert cognitive workflows by decoupling global orchestration from step-wise reactive execution. Extensive experiments with seven representative LLMs demonstrate that the Plan-and-React paradigm significantly outperforms traditional frameworks, achieving the optimal balance between logical rigor and execution robustness, particularly in multi-step reasoning and error recovery. Our findings highlight current capability boundaries and establish a robust standard for assessing and advancing the next generation of autonomous GeoAI.

Iterative industrial design-simulation optimization is bottlenecked by the CAD-CAE semantic gap: translating simulation feedback into valid geometric edits under diverse, coupled constraints. To fill this gap, we propose COSMO-Agent (Closed-loop Optimization, Simulation, and Modeling Orchestration), a tool-augmented reinforcement learning (RL) framework that teaches LLMs to complete the closed-loop CAD-CAE process. Specifically, we cast CAD generation, CAE solving, result parsing, and geometry revision as an interactive RL environment, where an LLM learns to orchestrate external tools and revise parametric geometries until constraints are satisfied. To make this learning stable and industrially usable, we design a multi-constraint reward that jointly encourages feasibility, toolchain robustness, and structured output validity. In addition, we contribute an industry-aligned dataset that covers 25 component categories with executable CAD-CAE tasks to support realistic training and evaluation. Experiments show that COSMO-Agent training substantially improves small open-source LLMs for constraint-driven design, exceeding large open-source and strong closed-source models in feasibility, efficiency, and stability.

Chain-of-thought prompting~(CoT) and tool augmentation have been validated in recent work as effective practices for improving large language models~(LLMs) to perform step-by-step reasoning on complex math-related tasks. However, most existing math reasoning datasets may be not able to fully evaluate and analyze the ability of LLMs in manipulating tools and performing reasoning, as they may only require very few invocations of tools or miss annotations for evaluating intermediate reasoning steps. To address the issue, we construct CARP, a new Chinese dataset consisting of 4,886 computation-intensive algebra problems with formulated annotations on intermediate steps. In CARP, we test four LLMs with CoT prompting, and find that they are all prone to make mistakes at the early steps of the solution, leading to wrong answers. Based on this finding, we propose a new approach that can deliberate the reasoning steps with tool interfaces, namely DELI. In DELI, we first initialize a step-by-step solution based on retrieved exemplars, then iterate two deliberation procedures that check and refine the intermediate steps of the generated solution, from the perspectives of tool manipulation and natural language reasoning, until obtaining converged solutions or reaching the maximum turn. Experimental results on CARP and six other datasets show that the proposed DELI mostly outperforms competitive baselines, and can further boost the performance of existing CoT methods. Our data and code are available in https://github.com/RUCAIBox/CARP.

Understanding and reasoning on the web-scale scientific literature is a crucial touchstone for large language model (LLM) based agents designed to support complex knowledge-intensive tasks. However, existing works are mainly restricted to tool-free tasks within isolated papers, largely due to the lack of a benchmark for cross-paper reasoning and multi-tool orchestration in real research scenarios. In this work, we propose PaperArena, an evaluation benchmark for agents to address real-world research questions that typically require integrating information across multiple papers with the assistance of external tools. Given a research question, agents should integrate diverse formats across multiple papers through reasoning and interacting with appropriate tools, thereby producing a well-grounded answer. To support standardized evaluation, we provide a modular and extensible platform for agent execution, offering tools such as multimodal parsing, context retrieval, and programmatic computation. Experimental results reveal that even the most advanced LLM powering a well-established agent system achieves merely 38.78% average accuracy. On the hard subset, accuracy drops to only 18.47%, highlighting great potential for improvement. We also present several empirical findings, including that all agents tested exhibit inefficient tool usage, often invoking more tools than necessary to solve a task. We invite the community to adopt PaperArena to develop and evaluate more capable agents for scientific discovery. Our code and data are available https://github.com/Melmaphother/PaperArena.

Answer verification methods are widely employed in language model training pipelines spanning data curation, evaluation, and reinforcement learning with verifiable rewards (RLVR). While prior work focus on developing unified verifiers applicable across multiple reasoning scenarios, significant challenges remain in computation-oriented scientific domains, such as algebraic equivalence checking and physical constant substitution. In this paper, we introduce \model, a tool-augmented verifier that leverages external executors to perform precise computations and symbolic simplifications. \model enables robust verification that goes beyond simple semantic matching. We propose a novel two-stage pipeline, which begin with cold-start fine-tuning and followed by multi-turn reinforcement learning with tool integration. Extensive experiments conducted on STEM subjects, general QA, and long-form reasoning tasks demonstrates strong generalization of \model. The results shows that the \model achieves state-of-the-art performance on VerifyBench-Hard and SCI-Bench. And we also employ our \model in RLVR as a reward model, the results show that it consistently outperforms both rubric-based and model-based verifiers on AIME'24 and AIME'25, demonstrating strong potential to enhance reasoning capabilities of LLM. Our model is released at https://huggingface.co/Nanbeige/CoSineVerifier-Tool-4B{https://huggingface.co/Nanbeige/CoSineVerifier-Tool-4B}.

Large Language Models (LLMs) are widely used as judges to evaluate response quality, providing a scalable alternative to human evaluation. However, most LLM judges operate solely on intrinsic text-based reasoning, limiting their ability to verify complex constraints or perform accurate computation. Motivated by the success of tool-integrated reasoning (TIR) in numerous tasks, we propose TIR-Judge, an end-to-end RL framework for training LLM judges that integrates a code executor for precise evaluation. TIR-Judge is built on three principles: (i) diverse training across verifiable and non-verifiable domains, (ii) flexible judgment formats (pointwise, pairwise, listwise), and (iii) iterative RL that bootstraps directly from the initial model without distillation. On seven public benchmarks, TIR-Judge surpasses strong reasoning-based judges by up to 6.4% (pointwise) and 7.7% (pairwise), and achieves listwise performance comparable to Claude-Opus-4 despite having only 8B parameters. Remarkably, TIR-Judge-Zero - trained entirely without distilled judge trajectories, matches the performance of distilled variants, demonstrating that tool-augmented judges can self-evolve through iterative reinforcement learning.

Long-form video understanding remains a fundamental challenge for current Video Large Language Models. Most existing models rely on static reasoning over uniformly sampled frames, which weakens temporal localization and leads to substantial information loss in long videos. Agentic tools such as temporal retrieval, spatial zoom, and temporal zoom offer a natural way to overcome these limitations by enabling adaptive exploration of key moments. However, constructing agentic video understanding data requires models that already possess strong long-form video comprehension, creating a circular dependency. We address this challenge with VideoThinker, an agentic Video Large Language Model trained entirely on synthetic tool interaction trajectories. Our key idea is to convert videos into rich captions and employ a powerful agentic language model to generate multi-step tool use sequences in caption space. These trajectories are subsequently grounded back to video by replacing captions with the corresponding frames, yielding a large-scale interleaved video and tool reasoning dataset without requiring any long-form understanding from the underlying model. Training on this synthetic agentic dataset equips VideoThinker with dynamic reasoning capabilities, adaptive temporal exploration, and multi-step tool use. Remarkably, VideoThinker significantly outperforms both caption-only language model agents and strong video model baselines across long-video benchmarks, demonstrating the effectiveness of tool augmented synthetic data and adaptive retrieval and zoom reasoning for long-form video understanding.

Recent studies demonstrate that tool-calling capability enables large language models (LLMs) to interact with external environments for long-horizon financial tasks. While existing benchmarks have begun evaluating financial tool calling, they focus on limited scenarios and rely on call-level metrics that fail to capture trajectory-level reasoning quality. To address this gap, we introduce FinTrace, a benchmark comprising 800 expert-annotated trajectories spanning 34 real-world financial task categories across multiple difficulty levels. FinTrace employs a rubric-based evaluation protocol with nine metrics organized along four axes -- action correctness, execution efficiency, process quality, and output quality -- enabling fine-grained assessment of LLM tool-calling behavior. Our evaluation of 13 LLMs reveals that while frontier models achieve strong tool selection, all models struggle with information utilization and final answer quality, exposing a critical gap between invoking the right tools and reasoning effectively over their outputs. To move beyond diagnosis, we construct FinTrace-Training, the first trajectory-level preference dataset for financial tool-calling, containing 8,196 curated trajectories with tool-augmented contexts and preference pairs. We fine-tune Qwen-3.5-9B using supervised fine-tuning followed by direct preference optimization (DPO) and show that training on FinTrace-Training consistently improves intermediate reasoning metrics, with DPO more effectively suppressing failure modes. However, end-to-end answer quality remains a bottleneck, indicating that trajectory-level improvements do not yet fully propagate to final output quality.

Modern analyst agents must reason over complex, high token inputs, including dozens of retrieved documents, tool outputs, and time sensitive data. While prior work has produced tool calling benchmarks and examined factuality in knowledge augmented systems, relatively little work studies their intersection: settings where LLMs must integrate large volumes of dynamic, structured and unstructured multi tool outputs. We investigate LLM failure modes in this regime using crypto as a representative high data density domain. We introduce (1) CryptoAnalystBench, an analyst aligned benchmark of 198 production crypto and DeFi queries spanning 11 categories; (2) an agentic harness equipped with relevant crypto and DeFi tools to generate responses across multiple frontier LLMs; and (3) an evaluation pipeline with citation verification and an LLM as a judge rubric spanning four user defined success dimensions: relevance, temporal relevance, depth, and data consistency. Using human annotation, we develop a taxonomy of seven higher order error types that are not reliably captured by factuality checks or LLM based quality scoring. We find that these failures persist even in state of the art systems and can compromise high stakes decisions. Based on this taxonomy, we refine the judge rubric to better capture these errors. While the judge does not align with human annotators on precise scoring across rubric iterations, it reliably identifies critical failure modes, enabling scalable feedback for developers and researchers studying analyst style agents. We release CryptoAnalystBench with annotated queries, the evaluation pipeline, judge rubrics, and the error taxonomy, and outline mitigation strategies and open challenges in evaluating long form, multi tool augmented systems.

Large language models have demonstrated exceptional performance, yet struggle with complex tasks such as numerical reasoning, plan generation. Integrating external tools, such as calculators and databases, into large language models (LLMs) is crucial for enhancing problem-solving capabilities. Current methods assign a unique token to each tool, enabling LLMs to call tools through token prediction-similar to word generation. However, this approach fails to account for the relationship between tool and word tokens, limiting adaptability within pre-trained LLMs. To address this issue, we propose a novel token learning method that aligns tool tokens with the existing word embedding space from the perspective of initialization, thereby enhancing model performance. We begin by constructing prior token embeddings for each tool based on the tool's name or description, which are used to initialize and regularize the learnable tool token embeddings. This ensures the learned embeddings are well-aligned with the word token space, improving tool call accuracy. We evaluate the method on tasks such as numerical reasoning, knowledge-based question answering, and embodied plan generation using GSM8K-XL, FuncQA, KAMEL, and VirtualHome datasets. The results demonstrate clear improvements over recent baselines, including CoT, REACT, ICL, and ToolkenGPT, indicating that our approach effectively augments LLMs with tools through relevant tokens across diverse domains.

Multi-agent systems powered by large language models (LLMs) are transforming enterprise automation, yet systematic evaluation methodologies for assessing tool-use reliability remain underdeveloped. We introduce a comprehensive diagnostic framework that leverages big data analytics to evaluate procedural reliability in intelligent agent systems, addressing critical needs for SME-centric deployment in privacy-sensitive environments. Our approach features a 12-category error taxonomy capturing failure modes across tool initialization, parameter handling, execution, and result interpretation. Through systematic evaluation of 1,980 deterministic test instances spanning both open-weight models (Qwen2.5 series, Functionary) and proprietary alternatives (GPT-4, Claude 3.5/3.7) across diverse edge hardware configurations, we identify actionable reliability thresholds for production deployment. Our analysis reveals that procedural reliability, particularly tool initialization failures, constitutes the primary bottleneck for smaller models, while qwen2.5:32b achieves flawless performance matching GPT-4.1. The framework demonstrates that mid-sized models (qwen2.5:14b) offer practical accuracy-efficiency trade-offs on commodity hardware (96.6\% success rate, 7.3 s latency), enabling cost-effective intelligent agent deployment for resource-constrained organizations. This work establishes foundational infrastructure for systematic reliability evaluation of tool-augmented multi-agent AI systems.

We propose CRAVE (Cluster-based Retrieval Augmented Verification with Explanation); a novel framework that integrates retrieval-augmented Large Language Models (LLMs) with clustering techniques to address fact-checking challenges on social media. CRAVE automatically retrieves multimodal evidence from diverse, often contradictory, sources. Evidence is clustered into coherent narratives, and evaluated via an LLM-based judge to deliver fact-checking verdicts explained by evidence summaries. By synthesizing evidence from both text and image modalities and incorporating agent-based refinement, CRAVE ensures consistency and diversity in evidence representation. Comprehensive experiments demonstrate CRAVE's efficacy in retrieval precision, clustering quality, and judgment accuracy, showcasing its potential as a robust decision-support tool for fact-checkers.

Tool-augmented language-model agents execute multi-step workflows over external systems, resolving an entity once and then acting on it across subsequent steps. Prior work shows that in single-step actions, agents select the correct tool but bind it to the wrong entity 24-26% of the time. We study what happens to entity bindings over time: do they stay correct, silently drift to a different entity, or, if wrong from the start, propagate and compound? We formalize binding drift (correct at step 1, wrong later) as distinct from error propagation (wrong at step 1, carried forward), and score them on disjoint workflow sets so the two cannot be conflated. In a controlled multi-step testbed (200 workflows, 580 entity-binding-scored steps, four enterprise domains, eight model backends spanning small to frontier), we find: (1) under controlled error injection, an entity lock (the intuitive "persist the first binding" fix) amplifies wrong actions from 907 to 2,746 (3.0x; bootstrap 95% CI [2.8, 3.3]), because it faithfully carries the seeded wrong entity into every later step; (2) the amplification reaches 8.5x on the most affected model (Claude Opus 4.5); (3) a practical LLM-based re-verifier (a single cheap second model call re-reading the original instruction) reduces wrong actions by 79% (0.21x; CI [0.18, 0.25]), closing the gap to within 1 percentage point of an oracle upper-bound (0.20x); and (4) in the natural (non-injected) setting, baseline agents drift on 18% of eligible workflows, with the per-step error rate rising across steps. Persistence and re-verification are not interchangeable: a defense that eliminates drift can worsen propagation, and a practical re-verifier nearly matches oracle recovery.

Search-augmented large language models (LLMs) trained with reinforcement learning (RL) have achieved strong results on open-domain question answering (QA), but training still remains a significant challenge. The optimization is often unstable due to sparse rewards and difficult credit assignments across reasoning and tool calls. To address this, we introduce Turn-Level Information Potential Reward Shaping (TIPS), a simple framework that assigns dense, turn-level rewards to each reasoning + tool-call segment based on the increased likelihood of the correct answer under a teacher model. By leveraging the potential-based reward shaping, TIPS offers fine-grained and policy-invariant guidance that overcomes the limitations of outcome-only optimization. Evaluated on seven QA benchmarks, TIPS consistently outperforms GRPO/PPO baselines and substantially improves training stability. For instance, with a Qwen-2.5 7B Instruct model, TIPS improves the average Exact Match score by 11.8% and F1 by 13.6% relative to PPO. Our results demonstrate that turn-level information-potential reward shaping provides an effective and general solution to sparse-reward credit assignment for multi-turn LLM reasoning.

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use governance and poor long-horizon reliability. In dependency-heavy pharmaceutical pipelines, autonomous agents often drift into irreproducible trajectories, where early-stage hallucinations multiplicatively compound into downstream failures. To overcome this, we present Mozi, a dual-layer architecture that bridges the flexibility of generative AI with the deterministic rigor of computational biology. Layer A (Control Plane) establishes a governed supervisor--worker hierarchy that enforces role-based tool isolation, limits execution to constrained action spaces, and drives reflection-based replanning. Layer B (Workflow Plane) operationalizes canonical drug discovery stages -- from Target Identification to Lead Optimization -- as stateful, composable skill graphs. This layer integrates strict data contracts and strategic human-in-the-loop (HITL) checkpoints to safeguard scientific validity at high-uncertainty decision boundaries. Operating on the design principle of ``free-form reasoning for safe tasks, structured execution for long-horizon pipelines,'' Mozi provides built-in robustness mechanisms and trace-level audibility to completely mitigate error accumulation. We evaluate Mozi on PharmaBench, a curated benchmark for biomedical agents, demonstrating superior orchestration accuracy over existing baselines. Furthermore, through end-to-end therapeutic case studies, we demonstrate Mozi's ability to navigate massive chemical spaces, enforce stringent toxicity filters, and generate highly competitive in silico candidates, effectively transforming the LLM from a fragile conversationalist into a reliable, governed co-scientist.

Tool-augmented large language models (LLMs), hereafter LLM agents, leverage external tools to solve diverse tasks and interface with the real world. However, current training practices largely rely on supervised fine-tuning (SFT) over static trajectories or reinforcement learning (RL) on narrow tasks, and generalize poorly beyond development settings, leading to brittleness with new tools and unseen workflows. Because code execution reflects many structures of real-world workflows, coding problems provide a natural basis for building agent training environments. Motivated by this, we introduce CodeGym, a scalable framework that synthesizes diverse, verifiable, and controllable multi-turn tool-use environments for agent RL, enabling LLM agents to explore and master various workflows actively. CodeGym rewrites static coding problems into interactive environments by extracting atomic functions or logic into callable tools, yielding verifiable tasks that span various tool-execution workflows. Models of varying sizes and chain-of-thought configurations, trained in CodeGym, exhibit consistent out-of-distribution generalizability; for example, Qwen2.5-32B-Instruct achieves an absolute accuracy gain of 8.7 points on the OOD benchmark tau-Bench. These results highlight CodeGym as a step toward scalable general-purpose RL environments that align with real-world agent workflows.

Tool-augmented large language models (LLMs) are increasingly employed in real-world applications, but tool usage errors still hinder their reliability. We introduce ToolCritic, a diagnostic framework that evaluates and improves LLM behavior in multi-turn, tool-augmented dialogues. ToolCritic detects eight distinct error types specific to tool-calling (e.g., premature invocation, argument misalignment, and misinterpretation of tool outputs) and provides targeted feedback to the main LLM. The main LLM, assumed to have strong reasoning, task understanding and orchestration capabilities, then revises its response based on ToolCritic's feedback. We systematically define these error categories and construct a synthetic dataset to train ToolCritic. Experimental results on the Schema-Guided Dialogue (SGD) dataset demonstrate that ToolCritic improves tool-calling accuracy by up to 13% over baselines, including zero-shot prompting and self-correction techniques. This represents a promising step toward more robust LLM integration with external tools in real-world dialogue applications.

Tool-augmented large language models (LLMs) are attracting widespread attention when accessing up-to-date knowledge and alleviating hallucination issues. Nowadays, advanced closed-source LLMs (e.g., ChatGPT) have demonstrated surprising tool-usage capabilities through prompting and in-context learning techniques. To empower the capabilities of open-source LLMs (e.g., LLaMA) in manipulating tools, current efforts focus on either template-driven or token-triggered tool-usage. However, the former hampers LLMs' flexibility to address diverse user's queries due to constrained tool interactions, while the latter limits the generalizability when engaging with new tools, since tool-usage learning is based on task- and tool-specific datasets. To alleviate these concerns, in this paper, we propose a decision-aware and generalizable tool-usage framework (DEER). Specifically, we first construct the tool-usage samples with multiple decision branches via an automatic generation pipeline, thereby inspiring the decision-making awareness of LLMs under diverse scenarios. Meanwhile, we propose a novel tool sampling strategy to enhance the generalizability of LLMs over unseen tools. Extensive experiments demonstrate that our proposed DEER is effective and significantly outperforms baselines across various datasets.

Large Language Models (LLMs) still struggle with the structured reasoning and tool-assisted computation needed for problem solving in cybersecurity applications. In this work, we introduce "random-crypto", a cryptographic Capture-the-Flag (CTF) challenge generator framework that we use to fine-tune a tool-augmented Llama-3.1-8B with Guided Reinforcement Prompt Optimisation (GRPO), allowing the agent to iteratively write and execute Python inside an isolated REPL. GRPO yields a +53% absolute jump in Pass@8 on unseen "random-crypto" tasks (0.35 -> 0.88) and raises Majority@8 to 0.41. The fine-tuned agent also generalizes to an external dataset. On a subset of picoCTF cryptography problems, it improves Pass@8 by +13 pp. Ablations show the gains stem from more reliable tool invocation and code synthesis, rather than superficial prompt adaptation.

Large language models (LLMs) remain prone to factual inaccuracies and computational errors, including hallucinations and mistakes in mathematical reasoning. Recent work augmented LLMs with tools to mitigate these shortcomings, but often requires curated gold tool-use demonstrations. In this paper, we investigate whether LLMs can learn to use tools without demonstrations. First, we analyse zero-shot prompting strategies to guide LLMs in tool utilisation. Second, we propose a self-training method to synthesise tool-use traces using the LLM itself. We compare supervised fine-tuning and preference fine-tuning techniques for fine-tuning the model on datasets constructed using existing Question Answering (QA) datasets, i.e., TriviaQA and GSM8K. Experiments show that tool-use enhances performance on a long-tail knowledge task: 3.7% on PopQA, which is used solely for evaluation, but leads to mixed results on other datasets, i.e., TriviaQA, GSM8K, and NQ-Open. Our findings highlight the potential and challenges of integrating external tools into LLMs without demonstrations.

LLM agents extend large language models with tool-calling capabilities, but ambiguous user instructions often lead to incorrect invocations and task failures. We introduce a principled formulation of structured uncertainty over tool-call parameters, modeling joint tool-argument clarification as a POMDP with Expected Value of Perfect Information (EVPI) objective for optimal question selection and aspect-based cost modeling to prevent redundancy. Our SAGE-Agent leverages this structured uncertainty to achieve superior efficiency: increasing coverage on ambiguous tasks by 7-39\% while reducing clarification questions by 1.5-2.7times compared to strong prompting and uncertainty-based baselines. We present ClarifyBench, the first multi-turn tool-augmented disambiguation benchmark with realistic LLM-based user simulation across diverse domains including document editing, vehicle control, and travel booking. Additionally, we demonstrate that structured uncertainty provides effective training signals for reinforcement learning, boosting When2Call accuracy from 36.5\% to 65.2\% (3B model) and 36.7\% to 62.9\% (7B model) through uncertainty-weighted GRPO training. These results establish structured uncertainty as a principled, efficient approach for tool-augmented agents, improving both task success and interaction efficiency in real-world scenarios.

The discovery of novel methodologies for emerging problems is a continuing cycle in ML, often driven by the migration of techniques across domains. Building on this observation, we ask whether current LLM ideation systems benefit from targeted cross-domain retrieval or simply from exposure to diverse mechanisms. We study this question through PaperGym, a three-stage pipeline: (1) tool-augmented seed extraction via read, grep, and bash over an isolated paper environment, (2) cross-domain seed retrieval via paraphrasing across seven ML domains, and (3) method synthesis from retrieved seeds, each scored by rubric-based judges. Tool-augmented extraction improves specificity, and paraphrase-based retrieval broadens domain coverage. In synthesis, cross-domain retrieval receives more pairwise novelty wins than no-retrieval and same-domain baselines, but shows no significant difference from a random diverse-seed control. These findings suggest LLM ideation systems benefit from diverse seed exposure, but do not yet reliably exploit the semantic reason particular seeds were retrieved. We release the seed library, rubric prompts, and run scripts at https://github.com/yunjoochoi/PaperGym

We propose a framework that amortizes the cost of inference-time reasoning by converting transient critiques into retrievable guidelines, through a file-based memory system and agent-controlled tool calls. We evaluate this method on the Rubric Feedback Bench, a novel dataset for rubric-based learning. Experiments demonstrate that our augmented LLMs rapidly match the performance of test-time refinement pipelines while drastically reducing inference cost.

This report investigates approaches for prompting a tool-augmented large language model (LLM) to act as a role-playing dialogue agent in the API track of the Commonsense Persona-grounded Dialogue Challenge (CPDC) 2025. In this setting, dialogue agents often produce overly long in-character responses (over-speaking) while failing to use tools effectively according to the persona (under-acting), such as generating function calls that do not exist or making unnecessary tool calls before answering. We explore four prompting approaches to address these issues: 1) basic role prompting, 2) improved role prompting, 3) automatic prompt optimization (APO), and 4) rule-based role prompting. The rule-based role prompting (RRP) approach achieved the best performance through two novel techniques-character-card/scene-contract design and strict enforcement of function calling-which led to an overall score of 0.571, improving on the zero-shot baseline score of 0.519. These findings demonstrate that RRP design can substantially improve the effectiveness and reliability of role-playing dialogue agents compared with more elaborate methods such as APO. To support future efforts in developing persona prompts, we are open-sourcing all of our best-performing prompts and the APO tool Source code is available at https://github.com/scb-10x/apo

Private macOS frameworks underpin critical services and daemons but remain undocumented and distributed only as stripped binaries, complicating security analysis. We present MOTIF, an agentic framework that integrates tool-augmented analysis with a finetuned large language model specialized for Objective-C type inference. The agent manages runtime metadata extraction, binary inspection, and constraint checking, while the model generates candidate method signatures that are validated and refined into compilable headers. On MOTIF-Bench, a benchmark built from public frameworks with groundtruth headers, MOTIF improves signature recovery from 15% to 86% compared to baseline static analysis tooling, with consistent gains in tool-use correctness and inference stability. Case studies on private frameworks show that reconstructed headers compile, link, and facilitate downstream security research and vulnerability studies. By transforming opaque binaries into analyzable interfaces, MOTIF establishes a scalable foundation for systematic auditing of macOS internals.

Scaling test-time computation improves performance across different tasks on large language models (LLMs), which has also been extended to tool-augmented agents. For these agents, scaling involves not only "thinking" in tokens but also "acting" via tool calls. The number of tool calls directly bounds the agent's interaction with the external environment. However, we find that simply granting agents a larger tool-call budget fails to improve performance, as they lack "budget awareness" and quickly hit a performance ceiling. To address this, we study how to scale such agents effectively under explicit tool-call budgets, focusing on web search agents. We first introduce the Budget Tracker, a lightweight plug-in that provides the agent with continuous budget awareness, enabling simple yet effective scaling. We further develop BATS (Budget Aware Test-time Scaling), an advanced framework that leverages this awareness to dynamically adapt its planning and verification strategy, deciding whether to "dig deeper" on a promising lead or "pivot" to new paths based on remaining resources. To analyze cost-performance scaling in a controlled manner, we formalize a unified cost metric that jointly accounts for token and tool consumption. We provide the first systematic study on budget-constrained agents, showing that budget-aware methods produce more favorable scaling curves and push the cost-performance Pareto frontier. Our work offers empirical insights toward a more transparent and principled understanding of scaling in tool-augmented agents.

We introduce LongDA, a data analysis benchmark for evaluating LLM-based agents under documentation-intensive analytical workflows. In contrast to existing benchmarks that assume well-specified schemas and inputs, LongDA targets real-world settings in which navigating long documentation and complex data is the primary bottleneck. To this end, we manually curate raw data files, long and heterogeneous documentation, and expert-written publications from 17 publicly available U.S. national surveys, from which we extract 505 analytical queries grounded in real analytical practice. Solving these queries requires agents to first retrieve and integrate key information from multiple unstructured documents, before performing multi-step computations and writing executable code, which remains challenging for existing data analysis agents. To support the systematic evaluation under this setting, we develop LongTA, a tool-augmented agent framework that enables document access, retrieval, and code execution, and evaluate a range of proprietary and open-source models. Our experiments reveal substantial performance gaps even among state-of-the-art models, highlighting the challenges researchers should consider before applying LLM agents for decision support in real-world, high-stakes analytical settings.

Outcome-driven reinforcement learning has advanced reasoning in large language models (LLMs), but prevailing tool-augmented approaches train a single, monolithic policy that interleaves thoughts and tool calls under full context; this scales poorly with long horizons and diverse tools and generalizes weakly to new scenarios. Agentic systems offer a promising alternative by decomposing work across specialized modules, yet most remain training-free or rely on offline training decoupled from the live dynamics of multi-turn interaction. We introduce AgentFlow, a trainable, in-the-flow agentic framework that coordinates four modules (planner, executor, verifier, generator) through an evolving memory and directly optimizes its planner inside the multi-turn loop. To train on-policy in live environments, we propose Flow-based Group Refined Policy Optimization (Flow-GRPO), which tackles long-horizon, sparse-reward credit assignment by converting multi-turn optimization into a sequence of tractable single-turn policy updates. It broadcasts a single, verifiable trajectory-level outcome to every turn to align local planner decisions with global success and stabilizes learning with group-normalized advantages. Across ten benchmarks, AgentFlow with a 7B-scale backbone outperforms top-performing baselines with average accuracy gains of 14.9% on search, 14.0% on agentic, 14.5% on mathematical, and 4.1% on scientific tasks, even surpassing larger proprietary models like GPT-4o. Further analyses confirm the benefits of in-the-flow optimization, showing improved planning, enhanced tool-calling reliability, and positive scaling with model size and reasoning turns.

Large language models show promise for automated CUDA programming, however even the strongest coding models (e.g., Claude-Opus-4.6) may still fall short of expert-level, architecture-aware optimization. We introduce CUDAHercules, a benchmark that evaluates generated CUDA against end-to-end human-expert SOTA systems. It spans single kernels, module-level operators, full applications, and unsolved challenge tasks across Ampere, Hopper, and Blackwell GPUs, with end-to-end tasks gated by domain-specific semantic validators. Evaluating models such as Claude-Opus-4.6 and GPT-5.4 shows a large gap between runnable CUDA and expert CUDA engineering: models often compile and pass tests, but rarely recover the optimization strategies needed to match expert performance. Application semantics further reduce success, and iterative or tool-augmented feedback can improve correctness while drifting toward slow fallback implementations. These results show that automated CUDA programming remains far from fully solved and requires stronger hardware reasoning, better tool use, and training objectives that connect code understanding to hardware architecture-grounded intelligence.

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

Fact-seeking question answering with large language models (LLMs) remains unreliable when answers depend on up-to-date or conflicting information. Although retrieval-augmented and tool-using LLMs reduce hallucinations, they often rely on implicit planning, leading to inefficient tool usage. We propose a modular framework that explicitly separates planning from factual retrieval and answer synthesis. A lightweight student planner is trained via a teacher-student framework to generate structured decompositions consisting of abstract reasoning steps and searchable fact requests. The supervision signals contain only planning traces and fact requests, without providing factual answers or retrieved evidence. At inference, the planner produces plans, while prompt-engineered modules perform retrieval and response synthesis. We evaluate the proposed framework on SEAL-0, an extremely challenging benchmark for search-augmented LLMs. Results show that supervised planning improves both accuracy and latency compared to monolithic reasoning models and prompt-based tool-augmented frameworks, demonstrating that explicitly learned planning structures are essential for reliable fact-seeking LLMs.

Large language model (LLM) agents increasingly take actions (screening applicants, recommending credit, triaging patients), yet fairness for LLMs is still measured by grading answers. We introduce AgentFairBench, a cheap, reproducible, multi-domain benchmark for demographic disparity in the actions of LLM agents. Grounded in a companion framework, the Bias Conduction Framework (BCF, restated here), it spans three regulator-anchored domains: hiring, lending, and medical triage. Synthetic, demographic-neutral profiles are evaluated in counterfactual matched sets that vary only a name-coded race x gender signal (in the Bertrand Mullainathan tradition), under four agent scaffolds of increasing agency (direct, chain-of-thought, multi-agent deliberation, tool-augmented). A NumPy-only harness computes counterfactual flip rate, mean absolute score difference (MASD), action-rate disparity, and tool-invocation disparity, with bootstrap confidence intervals, paired tests, and false-discovery-rate control, for single-digit dollars per model. A live leaderboard with a held-out private split and a contamination canary admits external models by submission. Our pilot (864 decisions plus a test-retest replication) carries a methodological lesson: comparing a six-group score spread against a two-run noise difference overstates disparity by ~ 2.4X through statistic arity alone. Against an arity matched noise floor and an omnibus group test, claude haiku 4 5 shows no demographic effect above sampling noise (0 of 120 pairwise and 0 of 9 omnibus contrasts survive correction); a planted-bias test confirms the instrument detects disparity when present. The contribution is a sound, sensitive, adoption-ready instrument, the arity matched null methodology, and open artifacts to scale it. Code, data, and harness are released under open licenses, with an anonymized review artifact.

By integrating the perception capabilities of multimodal encoders with the generative power of Large Language Models (LLMs), Multimodal Large Language Models (MLLMs), exemplified by GPT-4V, have achieved great success in various multimodal tasks, pointing toward a promising pathway to artificial general intelligence. Despite this progress, the limited quality of multimodal data, poor performance on many complex downstream tasks, and inadequate evaluation protocols continue to hinder the reliability and broader applicability of MLLMs across diverse domains. Inspired by the human ability to leverage external tools for enhanced reasoning and problem-solving, augmenting MLLMs with external tools (e.g., APIs, expert models, and knowledge bases) offers a promising strategy to overcome these challenges. In this paper, we present a comprehensive survey on leveraging external tools to enhance MLLM performance. Our discussion is structured along four key dimensions about external tools: (1) how they can facilitate the acquisition and annotation of high-quality multimodal data; (2) how they can assist in improving MLLM performance on challenging downstream tasks; (3) how they enable comprehensive and accurate evaluation of MLLMs; (4) the current limitations and future directions of tool-augmented MLLMs. Through this survey, we aim to underscore the transformative potential of external tools in advancing MLLM capabilities, offering a forward-looking perspective on their development and applications. The project page of this paper is publicly available athttps://github.com/Lackel/Awesome-Tools-for-MLLMs.

Role specialization in multi-LLM agent systems is often realized via multi-LoRA, where agents share a pretrained backbone and differ only through lightweight adapters. Despite sharing base model weights, each agent independently builds and stores its own KV cache for the same long, tool-augmented trajectories, incurring substantial memory and compute overhead. Existing KV cache sharing methods largely overlook this multi-LoRA setting. We observe that, across agents, cache differences are dominated by adapter outputs, while activations from the shared pretrained backbone remain highly similar. Based on this observation, we propose LRAgent, a KV cache sharing framework for multi-LoRA agents that decomposes the cache into a shared base component from the pretrained weights and an adapter-dependent component from LoRA weights. LRAgent reduces memory overhead by sharing the base component and storing the adapter component in its inherent low-rank form, and further reduces compute overhead, enabled by shared-A multi-LoRA architectures, by also sharing the low-rank cache and avoiding redundant computations for contexts already processed by other agents. To efficiently reconstruct adapter contributions at runtime, we introduce Flash-LoRA-Attention, a kernel that reorders attention computation to avoid materializing the low-rank cache to full dimension. LRAgent achieves throughput and time-to-first-token latency close to fully shared caching, while preserving accuracy near the non-shared caching baseline across agentic question-answering benchmarks.

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.

Tool-augmented large language models (LLMs) have achieved remarkable progress in tackling a broad range of tasks. However, existing methods are mainly restricted to specifically designed tools and fail to fulfill complex instructions, having great limitations when confronted with real-world scenarios. In this paper, we explore a more realistic scenario by connecting LLMs with RESTful APIs, which adhere to the widely adopted REST software architectural style for web service development. To address the practical challenges of tackling complex instructions, we propose RestGPT, which exploits the power of LLMs and conducts a coarse-to-fine online planning mechanism to enhance the abilities of task decomposition and API selection. RestGPT also contains an API executor tailored for calling RESTful APIs, which can meticulously formulate parameters and parse API responses. To fully evaluate the performance of RestGPT, we propose RestBench, a high-quality benchmark which consists of two real-world scenarios and human-annotated instructions with gold solution paths. Experiments show that RestGPT is able to achieve impressive results in complex tasks and has strong robustness, which paves a new way towards AGI. RestGPT and RestBench is publicly available at https://restgpt.github.io/.

Large language models (LLMs) are increasingly used as tool-augmented agents for multi-step decision making, yet training robust tool-using agents remains challenging. Existing methods still require manual intervention, depend on non-verifiable simulated environments, rely exclusively on either supervised fine-tuning (SFT) or reinforcement learning (RL), and struggle with stable long-horizon, multi-turn learning. To address these challenges, we introduce ASTRA, a fully automated end-to-end framework for training tool-augmented language model agents via scalable data synthesis and verifiable reinforcement learning. ASTRA integrates two complementary components. First, a pipeline that leverages the static topology of tool-call graphs synthesizes diverse, structurally grounded trajectories, instilling broad and transferable tool-use competence. Second, an environment synthesis framework that captures the rich, compositional topology of human semantic reasoning converts decomposed question-answer traces into independent, code-executable, and rule-verifiable environments, enabling deterministic multi-turn RL. Based on this method, we develop a unified training methodology that integrates SFT with online RL using trajectory-level rewards to balance task completion and interaction efficiency. Experiments on multiple agentic tool-use benchmarks demonstrate that ASTRA-trained models achieve state-of-the-art performance at comparable scales, approaching closed-source systems while preserving core reasoning ability. We release the full pipelines, environments, and trained models at https://github.com/LianjiaTech/astra.

The recent successful paradigm of solving logical reasoning problems with tool-augmented large language models (LLMs) leverages translation of natural language (NL) statements into First-Order Logic~(FOL) and external theorem provers. However, the correctness of FOL statements, comprising operators and text, often go unverified due to the lack of a reliable evaluation metric for comparing generated and ground-truth FOLs. In this paper, we conduct a comprehensive study on the sensitivity of existing NL-, FOL-, and graph-based metrics to capture differences between a sampled FOL and its corresponding ground-truth. We then measure the alignment between a metric-based ranking of FOL outputs and a strong LLM as-a-judge. To do this, we first apply operator and text-based perturbations to ground-truth FOL statements to assess metric sensitivity. We then evaluate metric robustness by comparing the metrics against LLMs judgment. Our empirical findings highlight a clear oversensitivity in the n-gram metric BLEU for text perturbations. The operator perturbation affects the semantic graph metric Smatch++ for structural changes, and the FOL metric for specific operator changes. We observe a closer alignment between BertScore and LLM judgement, proving the importance of semantic evaluation. Additionally, we show that combining metrics enhances both robustness and sensitivity compared to using individual metrics.

Verifiers have been demonstrated to enhance LLM reasoning via test-time scaling (TTS). Yet, they face significant challenges in complex domains. Error propagation from incorrect intermediate reasoning can lead to false positives for seemingly plausible solutions, while lacking external grounding makes verifiers unreliable on computation or knowledge-intensive tasks. To address these challenges, we propose Agentic Verifier, a framework that transforms reward modeling into a multi-turn, tool-augmented deliberative process. We introduce complementary forward and backward agents: one traces solutions from premises to conclusions, while the other re-checks conclusions against their underlying premises. This bidirectional process enables a comprehensive, reliable, and interpretable assessment of solutions. To facilitate practical deployment, we propose AgentV-RL. Through proactive exploration and reinforcement learning, the verifier autonomously interleaves tool-use with internal reasoning. Extensive experiments show that Agentic Verifier yields consistent performance gains under both parallel and sequential TTS. Notably, our 4B variant surpasses state-of-the-art ORMs by 25.2%, positioning it as a promising paradigm for agentic reward modeling.

Large Language Models (LLMs) are undergoing a fundamental transformation from conversational generators into integrated AI systems capable of reasoning, action, memory, and self-improvement. We conceptualize this transition as a shift from Chatbot to Digital Colleague: from conversational answers to persistent work. We organize this transition along two tightly coupled dimensions. First, at the cognitive core level, LLMs are advancing from Chatbot-era "fast thinking" systems driven by next-token prediction toward Thinking LLMs that leverage inference-time computation, Chain-of-Thought reasoning, reflection, process supervision, and reinforcement learning to support more deliberate and reliable cognition. Second, at the tool-augmented task execution level, LLMs are progressing from tool-calling Agents that invoke external resources in an ad hoc manner toward OpenClaw-style workstation systems (OpenClaw) equipped with persistent Workspaces, skills, verification loops, and governance. The "Workspace + Skill" paradigm makes episodic tool use colleague-like via state persistence, reusable procedures, task closure, and experience reuse. We examine data construction shifts from instruction-response pairs to State-Action-Observation trajectories and evaluation from static benchmarks to sandboxed, auditable, self-evolving AI ecosystems.

Large language model (LLM)-based multi-agent systems (MAS) show strong promise for complex reasoning, planning, and tool-augmented tasks, but designing effective MAS architectures remains labor-intensive, brittle, and hard to generalize. Existing automatic MAS generation methods either rely on code generation, which often leads to executability and robustness failures, or impose rigid architectural templates that limit expressiveness and adaptability. We propose Evolutionary Generation of Multi-Agent Systems (EvoMAS), which formulates MAS generation as structured configuration generation. EvoMAS performs evolutionary generation in configuration space. Specifically, EvoMAS selects initial configurations from a pool, applies feedback-conditioned mutation and crossover guided by execution traces, and iteratively refines both the candidate pool and an experience memory. We evaluate EvoMAS on diverse benchmarks, including BBEH, SWE-Bench, and WorkBench, covering reasoning, software engineering, and tool-use tasks. EvoMAS consistently improves task performance over both human-designed MAS and prior automatic MAS generation methods, while producing generated systems with higher executability and runtime robustness. EvoMAS outperforms the agent evolution method EvoAgent by +10.5 points on BBEH reasoning and +7.1 points on WorkBench. With Claude-4.5-Sonnet, EvoMAS also reaches 79.1% on SWE-Bench-Verified, matching the top of the leaderboard.

Most text-driven 3D indoor scene synthesis methods generate rooms from object-centric prompts, asking what furniture should be placed rather than how the space is used. Yet in real interior design, a layout is judged by how well it supports its occupants, e.g., their activities and physical needs. We introduce Function2Scene, a framework for generating 3D indoor layouts from functional specifications, i.e., natural-language design briefs describing who will use a room and what they need to do there. Given such a specification, our system parses occupant personas and activities, derives a customized set of functional design constraints from a taxonomy of 17 criteria spanning spatial, ergonomic, activity, and environmental considerations, and uses these constraints to guide layout generation. Rather than relying on an LLM to directly produce a final scene, Function2Scene performs iterative evaluation and refinement through a tool-augmented check-and-repair loop, combining geometric measurements, LLM-based contextual reasoning, and VLM-based visual assessment. Experiments on 30 professionally written interior-design cases show that Function2Scene produces layouts that better satisfy functional requirements than recent LLM-based scene synthesis baselines, with our results preferred in 94.3% of pairwise comparisons. Our work reframes text-driven indoor scene synthesis from placing plausible objects to designing spaces that support human use.

Large Language Models (LLMs) are increasingly deployed in real-world fact-checking systems, yet existing evaluations focus predominantly on claim verification and overlook the broader fact-checking workflow, including claim extraction and evidence retrieval. This narrow focus prevents current benchmarks from revealing systematic reasoning failures, factual blind spots, and robustness limitations of modern LLMs. To bridge this gap, we present FactArena, a fully automated arena-style evaluation framework that conducts comprehensive, stage-wise benchmarking of LLMs across the complete fact-checking pipeline. FactArena integrates three key components: (i) an LLM-driven fact-checking process that standardizes claim decomposition, evidence retrieval via tool-augmented interactions, and justification-based verdict prediction; (ii) an arena-styled judgment mechanism guided by consolidated reference guidelines to ensure unbiased and consistent pairwise comparisons across heterogeneous judge agents; and (iii) an arena-driven claim-evolution module that adaptively generates more challenging and semantically controlled claims to probe LLMs' factual robustness beyond fixed seed data. Across 16 state-of-the-art LLMs spanning seven model families, FactArena produces stable and interpretable rankings. Our analyses further reveal significant discrepancies between static claim-verification accuracy and end-to-end fact-checking competence, highlighting the necessity of holistic evaluation. The proposed framework offers a scalable and trustworthy paradigm for diagnosing LLMs' factual reasoning, guiding future model development, and advancing the reliable deployment of LLMs in safety-critical fact-checking applications.

High-quality dialogue is crucial for e-commerce customer service, yet traditional intent-based systems struggle with dynamic, multi-turn interactions. We present MindFlow+, a self-evolving dialogue agent that learns domain-specific behavior by combining large language models (LLMs) with imitation learning and offline reinforcement learning (RL). MindFlow+ introduces two data-centric mechanisms to guide learning: tool-augmented demonstration construction, which exposes the model to knowledge-enhanced and agentic (ReAct-style) interactions for effective tool use; and reward-conditioned data modeling, which aligns responses with task-specific goals using reward signals. To evaluate the model's role in response generation, we introduce the AI Contribution Ratio, a novel metric quantifying AI involvement in dialogue. Experiments on real-world e-commerce conversations show that MindFlow+ outperforms strong baselines in contextual relevance, flexibility, and task accuracy. These results demonstrate the potential of combining LLMs tool reasoning, and reward-guided learning to build domain-specialized, context-aware dialogue systems.

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

Large-scale language models (LLMs) have achieved remarkable success across various language tasks but suffer from hallucinations and temporal misalignment. To mitigate these shortcomings, Retrieval-augmented generation (RAG) has been utilized to provide external knowledge to facilitate the answer generation. However, applying such models to the medical domain faces several challenges due to the lack of domain-specific knowledge and the intricacy of real-world scenarios. In this study, we explore LLMs with RAG framework for knowledge-intensive tasks in the medical field. To evaluate the capabilities of LLMs, we introduce MedicineQA, a multi-round dialogue benchmark that simulates the real-world medication consultation scenario and requires LLMs to answer with retrieved evidence from the medicine database. MedicineQA contains 300 multi-round question-answering pairs, each embedded within a detailed dialogue history, highlighting the challenge posed by this knowledge-intensive task to current LLMs. We further propose a new Distill-Retrieve-Read framework instead of the previous Retrieve-then-Read. Specifically, the distillation and retrieval process utilizes a tool calling mechanism to formulate search queries that emulate the keyword-based inquiries used by search engines. With experimental results, we show that our framework brings notable performance improvements and surpasses the previous counterparts in the evidence retrieval process in terms of evidence retrieval accuracy. This advancement sheds light on applying RAG to the medical domain.

With the rapid evolution of foundation models, Large Language Model (LLM) agents have demonstrated increasingly powerful tool-use capabilities. However, this proficiency introduces significant security risks, as malicious actors can manipulate agents into executing tools to generate harmful content. While existing defensive mechanisms are effective, they frequently suffer from the over-refusal problem, where increased safety strictness compromises the agent's utility on benign tasks. To mitigate this trade-off, we propose SafeHarbor, a novel framework designed to establish precise decision boundaries for LLM agents. Unlike static guidelines, SafeHarbor extracts context-aware defense rules through enhanced adversarial generation. We design a local hierarchical memory system for dynamic rule injection, offering a training-free, efficient, and plug-and-play solution. Furthermore, we introduce an information entropy-based self-evolution mechanism that continuously optimizes the memory structure through dynamic node splitting and merging. Extensive experiments demonstrate that SafeHarbor achieves state-of-the-art performance on both ambiguous benign tasks and explicit malicious attacks, notably attaining a peak benign utility of 63.6\% on GPT-4o while maintaining a robust refusal rate exceeding 93\% against harmful requests. The source code is publicly available at https://github.com/ljj-cyber/SafeHarbor.

Parametric retrieval enables LLMs to retrieve tools implicitly by assigning each API a unique virtual token and training the model to generate it via constrained beam search. Toolsense shows that this regime has two critical drawbacks: it destroys parametric tool knowledge during training, and its beam-search decoding is too slow for real-time deployment. We introduce TRACE (Tool Retrieval via Augmented Chain-of-thought and Enterprise rules), a two-stage curriculum that resolves this dissociation. Stage 1 reuses the multi-format memorization SFT from ToolSense to seed tool knowledge with LoRA. Stage 2 is our core contribution: the model is trained to emit a thinking trace before producing a JSON list of tool tokens, using two data sources -- RRB pairs from ToolSense and queries synthesized to target business rules curated by domain experts -- both augmented with reasoning traces. This training objective preserves Stage 1 MCQ and QA probing accuracy while enabling single-beam greedy decoding at production latency. Evaluated on a combined enterprise catalog of 8,300+ tools across two enterprise product lines, TRACE training for Stage 2 not only preserves but improves tool understanding: MCQ accuracy gains +3.2 pp and QA probing gains +9 pp over Stage 1. On retrieval, TRACE achieves ~86% recall on Domain A and ~60% on Domain B -- compared to embedding baseline performance of ~27% & ~52% -- both with single-beam greedy decoding, making it directly deployable at production latency.

Large language model (LLM) agents augmented with external tools often struggle as number of tools grow large and become domain-specific. In such settings, ambiguous tool descriptions and under-specified agent instructions frequently lead to tool mis-selection and incorrect slot/value instantiation. We hypothesize that this is due to two root causes: generic, one-size-fits-all prompts that ignore tool-specific nuances, and underspecified tool schemas that lack clear guidance on when and how to use each tool and how to format its parameters. We introduce Joint Tool-Prompt Reflective Optimization (JTPRO), a framework for improving tool-calling reliability in trace-supervised settings by iteratively using rollout-driven reflection to co-optimize global instructions and per-tool schema/argument descriptions for accurate tool selection and argument instantiation in large tool inventories. JTPRO is designed to preserve only tool-local cues needed for correct disambiguation and slot filling. We evaluate JTPRO across multi-tool benchmarks, which account for different number of tools using three metrics: Tool Selection Accuracy (TSA), Slot Filling Accuracy(SFA), and Overall Success Rate(OSR) (correct tool + correct slots + correct values). JTPRO consistently outperforms strong baselines, including CoT-style agents, and reflective prompt optimizers such as GEPA by 5%-20% (relative) on OSR. Ablations show that joint optimization of instructions and tool schemas is more effective and robust than optimizing either component in isolation.

Multimodal large language models (MLLMs) hold immense potential to revolutionize clinical practice, yet deploying them in the medical domain is fundamentally a vision-centric challenge: models must absorb knowledge from heterogeneous 2D and 3D medical images, and evaluation protocols must align with radiologists' clinical practice and provide an accurate, fine-grained and factualness-driven assessment. In this paper, we introduce ClinFusion, a vision-centric MLLM designed for holistic medical understanding that systematically addresses these limitations. We propose a compositional and cascaded vision encoder architecture featuring a Cascade Spatial-Aware Locality Fusion operator that unifies diverse 2D and native 3D medical image understanding within a fused encoder. We further introduce a vision-grounded evaluation framework, including MedIF-Bench for instruction-following assessment and a region-of-interest-grounded method for clinically aligned and factualness-driven report generation evaluation. We show that ClinFusion sets a new state-of-the-art across a comprehensive suite of 2D and 3D multimodal medical benchmarks---spanning visual question answering, report generation, and instruction following---as well as textual medical tasks, outperforming leading open-source medical MLLMs (e.g., Hulu-Med, Lingshu) on 20 out of 24 benchmarks and demonstrating multimodal capabilities better than powerful proprietary models such as GPT-5.2 and Gemini-3-Flash on 13 out of 16 benchmarks, and can be further augmented with agentic tool use for retrieval-augmented and tool-assisted clinical workflows. A blinded evaluation by board-certified radiologists confirms that ClinFusion produces the highest-ranked reports, and validates our RoI-grounded metric as achieving the strongest correlation with expert judgment among all automatic evaluation metrics examined.

Large language models (LLMs) struggle to effectively utilize a growing number of external tools, such as those defined by the Model Context Protocol (MCP)IntroducingMCP, due to prompt bloat and selection complexity. We introduce RAG-MCP, a Retrieval-Augmented Generation framework that overcomes this challenge by offloading tool discovery. RAG-MCP uses semantic retrieval to identify the most relevant MCP(s) for a given query from an external index before engaging the LLM. Only the selected tool descriptions are passed to the model, drastically reducing prompt size and simplifying decision-making. Experiments, including an MCP stress test, demonstrate RAG-MCP significantly cuts prompt tokens (e.g., by over 50%) and more than triples tool selection accuracy (43.13% vs 13.62% baseline) on benchmark tasks. RAG-MCP enables scalable and accurate tool integration for LLMs.

Large language models (LLMs) have demonstrated remarkable capabilities in tool learning. In real-world scenarios, user queries are often ambiguous and incomplete, requiring effective clarification. However, existing interactive clarification approaches face two critical limitations: reliance on manually constructed datasets and lack of error correction mechanisms during multi-turn clarification. We present AskToAct, which addresses these challenges by exploiting the structural mapping between queries and their tool invocation solutions. Our key insight is that tool parameters naturally represent explicit user intents. By systematically removing key parameters from queries while retaining them as ground truth, we enable automated construction of high-quality training data. We further enhance model robustness by fine-tuning on error-correction augmented data using selective masking mechanism, enabling dynamic error detection during clarification interactions. Comprehensive experiments demonstrate that AskToAct significantly outperforms existing approaches, achieving above 79% accuracy in recovering critical unspecified intents and enhancing clarification efficiency by an average of 48.34% while maintaining high accuracy in tool invocation. Our framework exhibits robust performance across varying complexity levels and successfully generalizes to entirely unseen APIs without additional training, achieving performance comparable to GPT-4 with substantially fewer computational resources.

Retrieval Augmented Generation (RAG) has been a powerful tool for Large Language Models (LLMs) to efficiently process overly lengthy contexts. However, recent LLMs like Gemini-1.5 and GPT-4 show exceptional capabilities to understand long contexts directly. We conduct a comprehensive comparison between RAG and long-context (LC) LLMs, aiming to leverage the strengths of both. We benchmark RAG and LC across various public datasets using three latest LLMs. Results reveal that when resourced sufficiently, LC consistently outperforms RAG in terms of average performance. However, RAG's significantly lower cost remains a distinct advantage. Based on this observation, we propose Self-Route, a simple yet effective method that routes queries to RAG or LC based on model self-reflection. Self-Route significantly reduces the computation cost while maintaining a comparable performance to LC. Our findings provide a guideline for long-context applications of LLMs using RAG and LC.

Retrieval augmented generation (RAG) enhances the accuracy and reliability of generative AI models by sourcing factual information from external databases, which is extensively employed in document-grounded question-answering (QA) tasks. Off-the-shelf RAG flows are well pretrained on general-purpose documents, yet they encounter significant challenges when being applied to knowledge-intensive vertical domains, such as electronic design automation (EDA). This paper addresses such issue by proposing a customized RAG framework along with three domain-specific techniques for EDA tool documentation QA, including a contrastive learning scheme for text embedding model fine-tuning, a reranker distilled from proprietary LLM, and a generative LLM fine-tuned with high-quality domain corpus. Furthermore, we have developed and released a documentation QA evaluation benchmark, ORD-QA, for OpenROAD, an advanced RTL-to-GDSII design platform. Experimental results demonstrate that our proposed RAG flow and techniques have achieved superior performance on ORD-QA as well as on a commercial tool, compared with state-of-the-arts. The ORD-QA benchmark and the training dataset for our customized RAG flow are open-source at https://github.com/lesliepy99/RAG-EDA.

Large Language Models have found application in various mundane and repetitive tasks including Human Resource (HR) support. We worked with the domain experts of SAP SE to develop an HR support chatbot as an efficient and effective tool for addressing employee inquiries. We inserted a human-in-the-loop in various parts of the development cycles such as dataset collection, prompt optimization, and evaluation of generated output. By enhancing the LLM-driven chatbot's response quality and exploring alternative retrieval methods, we have created an efficient, scalable, and flexible tool for HR professionals to address employee inquiries effectively. Our experiments and evaluation conclude that GPT-4 outperforms other models and can overcome inconsistencies in data through internal reasoning capabilities. Additionally, through expert analysis, we infer that reference-free evaluation metrics such as G-Eval and Prometheus demonstrate reliability closely aligned with that of human evaluation.

Recently, building retrieval-augmented generation (RAG) systems to enhance the capability of large language models (LLMs) has become a common practice. Especially in the legal domain, previous judicial decisions play a significant role under the doctrine of stare decisis which emphasizes the importance of making decisions based on (retrieved) prior documents. However, the overall performance of RAG system depends on many components: (1) retrieval corpora, (2) retrieval algorithms, (3) rerankers, (4) LLM backbones, and (5) evaluation metrics. Here we propose LRAGE, an open-source tool for holistic evaluation of RAG systems focusing on the legal domain. LRAGE provides GUI and CLI interfaces to facilitate seamless experiments and investigate how changes in the aforementioned five components affect the overall accuracy. We validated LRAGE using multilingual legal benches including Korean (KBL), English (LegalBench), and Chinese (LawBench) by demonstrating how the overall accuracy changes when varying the five components mentioned above. The source code is available at https://github.com/hoorangyee/LRAGE.

Business Document Information Extraction (BDIE) is the problem of transforming a blob of unstructured information (raw text, scanned documents, etc.) into a structured format that downstream systems can parse and use. It has two main tasks: Key-Information Extraction (KIE) and Line Items Recognition (LIR). In this paper, we argue that BDIE is best modeled as a Tool Use problem, where the tools are these downstream systems. We then present Retrieval Augmented Structured Generation (RASG), a novel general framework for BDIE that achieves state of the art (SOTA) results on both KIE and LIR tasks on BDIE benchmarks. The contributions of this paper are threefold: (1) We show, with ablation benchmarks, that Large Language Models (LLMs) with RASG are already competitive with or surpasses current SOTA Large Multimodal Models (LMMs) without RASG on BDIE benchmarks. (2) We propose a new metric class for Line Items Recognition, General Line Items Recognition Metric (GLIRM), that is more aligned with practical BDIE use cases compared to existing metrics, such as ANLS*, DocILE, and GriTS. (3) We provide a heuristic algorithm for backcalculating bounding boxes of predicted line items and tables without the need for vision encoders. Finally, we claim that, while LMMs might sometimes offer marginal performance benefits, LLMs + RASG is oftentimes superior given real-world applications and constraints of BDIE.

The agent--tool interaction loop is a critical attack surface for modern Large Language Model (LLM) agents. Existing denial-of-service (DoS) attacks typically function at the user-prompt or retrieval-augmented generation (RAG) context layer and are inherently single-turn in nature. This limitation restricts cost amplification and diminishes stealth in goal-oriented workflows. To address these issues, we proposed a stealthy, multi-turn economic DoS attack at the tool layer under the Model Context Protocol (MCP). By simply editing text-visible fields and implementing a template-driven return policy, our malicious server preserves function signatures and the terminal benign payload while steering agents into prolonged, verbose tool-calling chains. We optimize these text-only edits with Monte Carlo Tree Search (MCTS) to maximize cost under a task-success constraint. Across six LLMs on ToolBench and BFCL benchmarks, our attack yields trajectories over 60K tokens, increases per-query cost by up to 658 times, raises energy by 100 to 560 times, and pushes GPU key-value (KV) cache occupancy to 35--74%. Standard prompt filters and output trajectory monitors seldom detect these attacks, highlighting the need for defenses that safeguard agentic processes rather than focusing solely on final outcomes. We will release the code soon.

While reasoning models (e.g., DeepSeek R1) trained with reinforcement learning (RL), excel in textual reasoning, they struggle in scenarios requiring structured problem-solving, such as geometric reasoning, concise computation, or complex equation solving-areas where computational tools like code interpreters (CI) demonstrate distinct advantages. To bridge this gap, we propose ReTool, which enhances long-form reasoning with tool-integrated learning, including two key features: (1) dynamic interleaving of real-time code execution within natural language reasoning processes, and (2) an automated RL paradigm that allows policy rollouts with multi-turn real-time code execution and teaches the model in learning when and how to invoke tools based on outcome feedback. ReTool employs a systematic training framework, beginning with synthetic cold-start data generation to produce code-augmented long-form reasoning traces for fine-tuning base models. Subsequent RL training leverages task outcomes as rewards to iteratively refine the model's tool use strategy, enabling autonomous discovery of optimal tool invocation patterns without human priors. Experiments on the challenging MATH Olympiad benchmark AIME demonstrate ReTool's superiority: Our 32B model achieves 67% accuracy with 400 training steps, outperforming text-based RL baseline (40% accuracy, 1080 steps) in efficiency and performance. Remarkably, ReTool-32B attains 72.5% accuracy in extended settings, surpassing OpenAI's o1-preview by 27.9%. Further analysis reveals emergent behaviors such as code self-correction, signaling an ''aha moment'' in which the model autonomously masters adaptive tool use. These findings highlight the promise of outcome-driven tool integration for advancing complex mathematical reasoning and offer new insights into hybrid neuro-symbolic systems.

Users often omit essential details in their requests to LLM-based agents, resulting in under-specified inputs for tool use. This poses a fundamental challenge for tool-augmented agents, as API execution typically requires complete arguments, highlighting the need for personalized tool calling. To study this problem, we introduce MPT, a benchmark comprising 265 multi-session dialogues that cover three challenges: Preference Recall, Preference Induction, and Preference Transfer. We also propose PRefine, a test-time memory-augmented method that represents user preferences as evolving hypotheses. Through a generate--verify--refine loop, it extracts reusable constraints from history and improves tool-calling accuracy while using only 1.24% of the tokens required by full-history prompting. These results indicate that robust personalization in agentic systems depends on memory that captures the reasons behind user choices, not just the choices themselves.

Large Language Models (LLMs) excel at reasoning and generation but are inherently limited by static pretraining data, resulting in factual inaccuracies and weak adaptability to new information. Retrieval-Augmented Generation (RAG) addresses this issue by grounding LLMs in external knowledge; However, the effectiveness of RAG critically depends on whether the model can adequately access relevant information. Existing RAG systems rely on a single retriever with fixed top-k selection, restricting access to a narrow and static subset of the corpus. As a result, this single-retriever paradigm has become the primary bottleneck for comprehensive external information acquisition, especially in tasks requiring corpus-level reasoning. To overcome this limitation, we propose MARAG-R1, a reinforcement-learned multi-tool RAG framework that enables LLMs to dynamically coordinate multiple retrieval mechanisms for broader and more precise information access. MARAG-R1 equips the model with four retrieval tools -- semantic search, keyword search, filtering, and aggregation -- and learns both how and when to use them through a two-stage training process: supervised fine-tuning followed by reinforcement learning. This design allows the model to interleave reasoning and retrieval, progressively gathering sufficient evidence for corpus-level synthesis. Experiments on GlobalQA, HotpotQA, and 2WikiMultiHopQA demonstrate that MARAG-R1 substantially outperforms strong baselines and achieves new state-of-the-art results in corpus-level reasoning tasks.

Large language models (LLM) have achieved remarkable performance on various NLP tasks and are augmented by tools for broader applications. Yet, how to evaluate and analyze the tool-utilization capability of LLMs is still under-explored. In contrast to previous works that evaluate models holistically, we comprehensively decompose the tool utilization into multiple sub-processes, including instruction following, planning, reasoning, retrieval, understanding, and review. Based on that, we further introduce T-Eval to evaluate the tool utilization capability step by step. T-Eval disentangles the tool utilization evaluation into several sub-domains along model capabilities, facilitating the inner understanding of both holistic and isolated competency of LLMs. We conduct extensive experiments on T-Eval and in-depth analysis of various LLMs. T-Eval not only exhibits consistency with the outcome-oriented evaluation but also provides a more fine-grained analysis of the capabilities of LLMs, providing a new perspective in LLM evaluation on tool-utilization ability. The benchmark will be available at https://github.com/open-compass/T-Eval.

Large Language Model (LLM) agents have shown strong results on multi-turn tool-use tasks, yet they operate in isolation during training, failing to leverage experiences accumulated across episodes. Existing experience-augmented methods address this by organizing trajectories into retrievable libraries, but they retrieve experiences only once based on the initial task description and hold them constant throughout the episode. In multi-turn settings where observations change at every step, this static retrieval becomes increasingly mismatched as episodes progress. We propose SLEA-RL (Step-Level Experience-Augmented Reinforcement Learning), a framework that retrieves relevant experiences at each decision step conditioned on the current observation. SLEA-RL operates through three components: (i) step-level observation clustering that groups structurally equivalent environmental states for efficient cluster-indexed retrieval; (ii) a self-evolving experience library that distills successful strategies and failure patterns through score-based admission and rate-limited extraction; and (iii) policy optimization with step-level credit assignment for fine-grained advantage estimation across multi-turn episodes. The experience library evolves alongside the policy through semantic analysis rather than gradient updates. Experiments on long-horizon multi-turn agent benchmarks demonstrate that SLEA-RL achieves superior performance compared to various reinforcement learning baselines.

The tool-use Large Language Models (LLMs) that integrate with external Python interpreters have significantly enhanced mathematical reasoning capabilities for open-source LLMs, while tool-free methods chose another track: augmenting math reasoning data. However, a great method to integrate the above two research paths and combine their advantages remains to be explored. In this work, we firstly include new math questions via multi-perspective data augmenting methods and then synthesize code-nested solutions to them. The open LLMs (i.e., Llama-2) are finetuned on the augmented dataset to get the resulting models, MuMath-Code (mu-Math-Code). During the inference phase, our MuMath-Code generates code and interacts with the external python interpreter to get the execution results. Therefore, MuMath-Code leverages the advantages of both the external tool and data augmentation. To fully leverage the advantages of our augmented data, we propose a two-stage training strategy: In Stage-1, we finetune Llama-2 on pure CoT data to get an intermediate model, which then is trained on the code-nested data in Stage-2 to get the resulting MuMath-Code. Our MuMath-Code-7B achieves 83.8 on GSM8K and 52.4 on MATH, while MuMath-Code-70B model achieves new state-of-the-art performance among open methods -- achieving 90.7% on GSM8K and 55.1% on MATH. Extensive experiments validate the combination of tool use and data augmentation, as well as our two-stage training strategy. We release the proposed dataset along with the associated code for public use.

I/O performance is crucial to efficiency in data-intensive scientific computing; but tuning large-scale storage systems is complex, costly, and notoriously manpower-intensive, making it inaccessible for most domain scientists. To address this problem, we propose STELLAR, an autonomous tuner for high-performance parallel file systems. Our evaluations show that STELLAR almost always selects near-optimal parameter configurations for parallel file systems within the first five attempts, even for previously unseen applications. STELLAR differs fundamentally from traditional autotuning methods, which often require hundreds of thousands of iterations to converge. Powered by large language models (LLMs), STELLAR enables autonomous end-to-end agentic tuning by (1) accurately extracting tunable parameters from software manuals, (2) analyzing I/O trace logs generated by applications, (3) selecting initial tuning strategies, (4) rerunning applications on real systems and collecting I/O performance feedback, (5) adjusting tuning strategies and repeating the tuning cycle, and (6) reflecting on and summarizing tuning experiences into reusable knowledge for future optimizations. STELLAR integrates retrieval-augmented generation (RAG), tool execution, LLM-based reasoning, and a multiagent design to stabilize reasoning and combat hallucinations. We evaluate the impact of each component on optimization outcomes, providing design insights for similar systems in other optimization domains. STELLAR's architecture and empirical results highlight a promising approach to complex system optimization, especially for problems with large search spaces and high exploration costs, while making I/O tuning more accessible to domain scientists with minimal added resources.

Problem-solving has been a fundamental driver of human progress in numerous domains. With advancements in artificial intelligence, Large Language Models (LLMs) have emerged as powerful tools capable of tackling complex problems across diverse domains. Unlike traditional computational systems, LLMs combine raw computational power with an approximation of human reasoning, allowing them to generate solutions, make inferences, and even leverage external computational tools. However, applying LLMs to real-world problem-solving presents significant challenges, including multi-step reasoning, domain knowledge integration, and result verification. This survey explores the capabilities and limitations of LLMs in complex problem-solving, examining techniques including Chain-of-Thought (CoT) reasoning, knowledge augmentation, and various LLM-based and tool-based verification techniques. Additionally, we highlight domain-specific challenges in various domains, such as software engineering, mathematical reasoning and proving, data analysis and modeling, and scientific research. The paper further discusses the fundamental limitations of the current LLM solutions and the future directions of LLM-based complex problems solving from the perspective of multi-step reasoning, domain knowledge integration and result verification.

We present Plancraft, a multi-modal evaluation dataset for LLM agents. Plancraft has both a text-only and multi-modal interface, based on the Minecraft crafting GUI. We include the Minecraft Wiki to evaluate tool use and Retrieval Augmented Generation (RAG), as well as an oracle planner and oracle RAG information extractor, to ablate the different components of a modern agent architecture. To evaluate decision-making, Plancraft also includes a subset of examples that are intentionally unsolvable, providing a realistic challenge that requires the agent not only to complete tasks but also to decide whether they are solvable at all. We benchmark both open-source and closed-source LLMs and strategies on our task and compare their performance to a handcrafted planner. We find that LLMs and VLMs struggle with the planning problems that Plancraft introduces, and we offer suggestions on how to improve their capabilities.

Recent developments in retrieval-augmented generation (RAG) for selecting relevant tools from a tool knowledge base enable LLM agents to scale their complex tool calling capabilities to hundreds or thousands of external tools, APIs, or agents-as-tools. However, traditional RAG-based tool retrieval fails to capture structured dependencies between tools, limiting the retrieval accuracy of a retrieved tool's dependencies. For example, among a vector database of tools, a "get stock price" API requires a "stock ticker" parameter from a "get stock ticker" API, and both depend on OS-level internet connectivity tools. In this paper, we address this limitation by introducing Graph RAG-Tool Fusion, a novel plug-and-play approach that combines the strengths of vector-based retrieval with efficient graph traversal to capture all relevant tools (nodes) along with any nested dependencies (edges) within the predefined tool knowledge graph. We also present ToolLinkOS, a new tool selection benchmark of 573 fictional tools, spanning over 15 industries, each with an average of 6.3 tool dependencies. We demonstrate that Graph RAG-Tool Fusion achieves absolute improvements of 71.7% and 22.1% over na\"ive RAG on ToolLinkOS and ToolSandbox benchmarks, respectively (mAP@10). ToolLinkOS dataset is available at https://github.com/EliasLumer/Graph-RAG-Tool-Fusion-ToolLinkOS