Daily Papers

We introduce Video-DeepResearch (Video-DR), extending multimodal agents from static images to continuous video streams, a setting that demands dense spatiotemporal grounding coupled with open-web exploration. Preliminary evaluations reveal two critical bottlenecks in current models: (1) modality bias, where agents bypass visual tools in favor of textual search, and (2) parametric knowledge leakage, where models rely on internal memory rather than genuine tool-augmented execution. To address these challenges, we propose Video-DR, featuring a decoupled perception-exploration pipeline with stage-wise tool unlocking that compels exhaustive cross-frame visual grounding prior to web retrieval. Our framework adopts a two-stage training recipe: supervised fine-tuning followed by Group Relative Policy Optimization (GRPO), enabling autonomous exploration that breaks the imitation-learning ceiling. Furthermore, we curate Video-DR-Bench, a human-AI collaborative benchmark comprising 200 complex, multi-hop VQA instances. Empirical results demonstrate that our Video-DeepResearch-35B-A3B establishes a new state-of-the-art of 64.0% average accuracy, surpassing proprietary Claude-4.5-Sonnet (59.0%) by 5.0 points and significantly outperforming GPT-5 (52.5%) and Gemini 2.5 Pro (57.5%). The 30B-A3B variant achieves 59.3%, competitive with Claude-4.5-Sonnet and demonstrating the effectiveness of our training paradigm even at compact scale. Code: https://github.com/Osilly/Vision-DeepResearch.

Current tool-use large language models (LLMs) are trained on static datasets, enabling them to interact with external tools and perform multi-step, tool-integrated reasoning, which produces tool-call trajectories. However, these models imitate how a query is resolved in a generic tool-call routine, thereby failing to explore possible solutions and demonstrating limited performance in an evolved, dynamic tool-call environment. In this work, we propose PORTool, a reinforcement learning (RL) method that encourages a tool-use LLM to explore various trajectories yielding the correct answer. Specifically, this method starts with generating multiple rollouts for a given query, and some of them share the first few tool-call steps, thereby forming a tree-like structure. Next, we assign rewards to each step, based on its ability to produce a correct answer and make successful tool calls. A shared step across different trajectories receives the same reward, while different steps under the same fork receive different rewards. Finally, these step-wise rewards are used to calculate fork-relative advantages, blended with trajectory-relative advantages, to train the LLM for tool use. The experiments utilize 17 tools to address user queries, covering both time-sensitive and time-invariant topics. We conduct ablation studies to systematically justify the necessity and the design robustness of step-wise rewards. Furthermore, we compare the proposed PORTool with other training approaches and demonstrate significant improvements in final accuracy and the number of tool-call steps.

Tool-calling has changed Large Language Model (LLM) applications by integrating external tools, significantly enhancing their functionality across diverse tasks. However, this integration also introduces new security vulnerabilities, particularly in the tool scheduling mechanisms of LLM, which have not been extensively studied. To fill this gap, we present ToolCommander, a novel framework designed to exploit vulnerabilities in LLM tool-calling systems through adversarial tool injection. Our framework employs a well-designed two-stage attack strategy. Firstly, it injects malicious tools to collect user queries, then dynamically updates the injected tools based on the stolen information to enhance subsequent attacks. These stages enable ToolCommander to execute privacy theft, launch denial-of-service attacks, and even manipulate business competition by triggering unscheduled tool-calling. Notably, the ASR reaches 91.67% for privacy theft and hits 100% for denial-of-service and unscheduled tool calling in certain cases. Our work demonstrates that these vulnerabilities can lead to severe consequences beyond simple misuse of tool-calling systems, underscoring the urgent need for robust defensive strategies to secure LLM Tool-calling systems.

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

Despite having powerful reasoning and inference capabilities, Large Language Models (LLMs) still need external tools to acquire real-time information retrieval or domain-specific expertise to solve complex tasks, which is referred to as tool learning. Existing tool learning methods primarily rely on tuning with expert trajectories, focusing on token-sequence learning from a linguistic perspective. However, there are several challenges: 1) imitating static trajectories limits their ability to generalize to new tasks. 2) even expert trajectories can be suboptimal, and better solution paths may exist. In this work, we introduce StepTool, a novel step-grained reinforcement learning framework to improve tool learning in LLMs. It consists of two components: Step-grained Reward Shaping, which assigns rewards at each tool interaction based on tool invocation success and its contribution to the task, and Step-grained Optimization, which uses policy gradient methods to optimize the model in a multi-step manner. Experimental results demonstrate that StepTool significantly outperforms existing methods in multi-step, tool-based tasks, providing a robust solution for complex task environments. Codes are available at https://github.com/yuyq18/StepTool.

Agentic systems integrate LLM driven planning with interfaces to external tools, making data leakage and tool misuse feasible via instruction/data boundary failures and prompt injection attacks. Enforcing required controls consistently is particularly challenging in workflows spanning many codebases and heterogeneous agents. To address this challenge in multi agentic systems, we present a pre-deployment pipeline for scanning, hardening, and validation of agentic applications. The pipeline analyzes prompt templates, tool interfaces, and tool-invocation code to identify leakage-enabling patterns and generate actionable patches. The hardened application is then validated through adversarial prompt injection attacks and benign input variations ensuring that mitigations do not disrupt intended behavior. In the hardening stage, high-risk tools are prioritized, and minimally invasive mitigations are applied, including schema tightening, boundary sanitization, allowlist-based tool gating, and least-privilege checks. In the validation stage, the pipeline automatically generates attack inputs that mimic jailbreaks, instruction overrides, and tool-targeted manipulation, along with benign task variants, to confirm that the functionality of the hardened application is preserved after remediation. We evaluated the pipeline on five real-world agentic applications, as well as on the AgentDojo benchmark. Across all applications, the proposed pipeline identified recurring leakage-enabling patterns and generated patches that can be integrated without disrupting the intended application behavior. The resulting modifications of application code were shown to eliminate leaks when targeted by basic jailbreak and instruction-override attacks, achieving a 100% reduction in leakage, and reduce leaks by 91% under conditions of stress-induced manipulation, without the need of continuous runtime policy enforcement.

Reward-guided search methods have demonstrated strong potential in enhancing tool-using agents by effectively guiding sampling and exploration over complex action spaces. As a core design, those search methods utilize process reward models (PRMs) to provide step-level rewards, enabling more fine-grained monitoring. However, there is a lack of systematic and reliable evaluation benchmarks for PRMs in tool-using settings. In this paper, we introduce ToolPRMBench, a large-scale benchmark specifically designed to evaluate PRMs for tool-using agents. ToolPRMBench is built on top of several representative tool-using benchmarks and converts agent trajectories into step-level test cases. Each case contains the interaction history, a correct action, a plausible but incorrect alternative, and relevant tool metadata. We respectively utilize offline sampling to isolate local single-step errors and online sampling to capture realistic multi-step failures from full agent rollouts. A multi-LLM verification pipeline is proposed to reduce label noise and ensure data quality. We conduct extensive experiments across large language models, general PRMs, and tool-specialized PRMs on ToolPRMBench. The results reveal clear differences in PRM effectiveness and highlight the potential of specialized PRMs for tool-using. Code and data will be released at https://github.com/David-Li0406/ToolPRMBench.

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.

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.

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

As LLM agents increasingly select tools autonomously, their choices among tools with different privileges become safety-relevant. However, prior tool-selection studies focus on safety-agnostic metadata preferences, leaving privilege-sensitive choices underexplored. To address this gap, we study over-privileged tool selection, in which an agent selects or escalates to a higher-privilege tool despite a sufficient lower-privilege alternative. We introduce ToolPrivBench to evaluate whether agents choose higher-privilege tools despite sufficient lower-privilege alternatives, measuring both initial selection and escalation after transient tool failures. Across eight domains and five recurring risk patterns, we find that over-privileged tool selection is common among mainstream LLM agents and is further amplified by transient failures. We further find that general safety alignment does not reliably transfer to least-privilege tool choice, while prompt-level controls provide only limited mitigation under transient failures. We therefore introduce a privilege-aware post-training defense that teaches agents to prefer sufficient lower-privilege tools and escalate only when necessary. Our mitigation experiments show that this defense substantially reduces unnecessary high-privilege tool use while preserving general capabilities.

While LLM agents demonstrate strong reasoning abilities in compact and well-defined scenarios, they struggle to maintain robustness and effectiveness when faced with large-scale, diverse, and dynamic real-world environments that demand seamless tool integration. To address this gap, we introduce ToolVerse, a comprehensive framework that scales up agentic RL environments and enables agents to perform complex long-horizon reasoning in Tool-Integrated Reasoning (TIR) tasks. First, ToolVerse automatically builds the massive executable agent training environments from nearly 400 real-world Model Context Protocols (MCPs) that contain about 4500 tools. Second, we propose a task design strategy based on a tool dependency graph, utilizing Dynamic Unlocking Sampling Algorithm to generate long-horizon tasks, and produce GUST (Graph Unlocking Sampling Tasks) dataset. Third, to alleviate the credit assigment problem in long-horizon agentic RL, we propose a fine-grained Turn-Aware Relative Advantage algorithm. We conduct extensive Agentic RL training using ToolVerse and evaluate our framework on serveral agentic benchmarks. Experimental results demonstrate that our framework significantly strengthens LLMs' capabilities in long-horizon tool use, achieving a marked performance boost and showcasing robust reasoning within dynamic environments.

Function calling enables large language models (LLMs) to interact with external systems by leveraging tools and APIs. When faced with multi-step tool usage, LLMs still struggle with tool selection, parameter generation, and tool-chain planning. Existing methods typically rely on manually designing task-specific demonstrations, or retrieving from a curated library. These approaches demand substantial expert effort and prompt engineering becomes increasingly complex and inefficient as tool diversity and task difficulty scale. To address these challenges, we propose a self-guided method, Stepwise Experience Recall (SEER), which performs fine-grained, stepwise retrieval from a continually updated experience pool. Instead of relying on static or manually curated library, SEER incrementally augments the experience pool with past successful trajectories, enabling continuous expansion of the pool and improved model performance over time. Evaluated on the ToolQA benchmark, SEER achieves an average improvement of 6.1% on easy and 4.7% on hard questions. We further test SEER on τ-bench, which includes two real-world domains. Powered by Qwen2.5-7B and Qwen2.5-72B models, SEER demonstrates substantial accuracy gains of 7.44% and 23.38%, respectively.

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

Recently, tool learning with large language models (LLMs) has emerged as a promising paradigm for augmenting the capabilities of LLMs to tackle highly complex problems. Despite growing attention and rapid advancements in this field, the existing literature remains fragmented and lacks systematic organization, posing barriers to entry for newcomers. This gap motivates us to conduct a comprehensive survey of existing works on tool learning with LLMs. In this survey, we focus on reviewing existing literature from the two primary aspects (1) why tool learning is beneficial and (2) how tool learning is implemented, enabling a comprehensive understanding of tool learning with LLMs. We first explore the "why" by reviewing both the benefits of tool integration and the inherent benefits of the tool learning paradigm from six specific aspects. In terms of "how", we systematically review the literature according to a taxonomy of four key stages in the tool learning workflow: task planning, tool selection, tool calling, and response generation. Additionally, we provide a detailed summary of existing benchmarks and evaluation methods, categorizing them according to their relevance to different stages. Finally, we discuss current challenges and outline potential future directions, aiming to inspire both researchers and industrial developers to further explore this emerging and promising area. We also maintain a GitHub repository to continually keep track of the relevant papers and resources in this rising area at https://github.com/quchangle1/LLM-Tool-Survey.

Large language model (LLM) agents increasingly rely on invoking external tools to complete real-world tasks. Tool retrieval, which selects a small task-relevant subset from a library of thousands of tools before the agent acts, has therefore become a critical component of LLM agent pipelines. However, existing retrievers either score each tool in isolation or assemble the tool set sequentially, so the joint utility of a candidate set is never evaluated as a whole. In this paper, we propose HYSET, short for HYperedge-based SEt-level Tool retrieval. Our contributions are threefold: (i) we formulate tool retrieval as query-conditioned hyperedge prediction on a tool co-invocation hypergraph, under which the tool set itself becomes the unit of scoring and most existing retrieval paradigms reduce to restricted instances; (ii) we capture size-dependent tool compatibility through cardinality-specific interactions; and (iii) we design HYSET as a pre-selection module requiring no modification to the downstream agent. Experiments on ToolBench demonstrate that HYSET consistently outperforms state-of-the-art baselines in both tool retrieval performance and end-to-end task success. Beyond the in-domain setting, HYSET further supports zero-shot/few-shot transfer, generalizing to held-out tools/categories and unseen domains with minimal supervision.

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

Large Language Models (LLMs) and Vision-Language Models (VLMs) have demonstrated remarkable capabilities. However, their deployment is hindered by significant computational costs. Existing structured pruning methods, while hardware-efficient, often suffer from significant accuracy degradation. In this paper, we argue that this failure stems from a stage-agnostic pruning approach that overlooks the asymmetric roles between the prefill and decode stages. By introducing a virtual gate mechanism, our importance analysis reveals that deep layers are critical for next-token prediction (decode) but largely redundant for context encoding (prefill). Leveraging this insight, we propose Prefill-Only Pruning (POP), a stage-aware inference strategy that safely omits deep layers during the computationally intensive prefill stage while retaining the full model for the sensitive decode stage. To enable the transition between stages, we introduce independent Key-Value (KV) projections to maintain cache integrity, and a boundary handling strategy to ensure the accuracy of the first generated token. Extensive experiments on Llama-3.1, Qwen3-VL, and Gemma-3 across diverse modalities demonstrate that POP achieves up to 1.37times speedup in prefill latency with minimal performance loss, effectively overcoming the accuracy-efficiency trade-off limitations of existing structured pruning methods.

Penetration testing, an essential component of software security testing, allows organizations to identify and remediate vulnerabilities in their systems, thus bolstering their defense mechanisms against cyberattacks. One recent advancement in the realm of penetration testing is the utilization of Language Models (LLMs). We explore the intersection of LLMs and penetration testing to gain insight into their capabilities and challenges in the context of privilege escalation. We introduce a fully automated privilege-escalation tool designed for evaluating the efficacy of LLMs for (ethical) hacking, executing benchmarks using multiple LLMs, and investigating their respective results. Our results show that GPT-4-turbo is well suited to exploit vulnerabilities (33-83% of vulnerabilities). GPT-3.5-turbo can abuse 16-50% of vulnerabilities, while local models, such as Llama3, can only exploit between 0 and 33% of the vulnerabilities. We analyze the impact of different context sizes, in-context learning, optional high-level guidance mechanisms, and memory management techniques. We discuss challenging areas for LLMs, including maintaining focus during testing, coping with errors, and finally comparing LLMs with human hackers. The current version of the LLM-guided privilege-escalation prototype can be found at https://github.com/ipa-labs/hackingBuddyGPT.

Many students lack access to expert research mentorship. We ask whether an AI mentor can move undergraduates from an idea to a paper. We build METIS, a tool-augmented, stage-aware assistant with literature search, curated guidelines, methodology checks, and memory. We evaluate METIS against GPT-5 and Claude Sonnet 4.5 across six writing stages using LLM-as-a-judge pairwise preferences, student-persona rubrics, short multi-turn tutoring, and evidence/compliance checks. On 90 single-turn prompts, LLM judges preferred METIS to Claude Sonnet 4.5 in 71% and to GPT-5 in 54%. Student scores (clarity/actionability/constraint-fit; 90 prompts x 3 judges) are higher across stages. In multi-turn sessions (five scenarios/agent), METIS yields slightly higher final quality than GPT-5. Gains concentrate in document-grounded stages (D-F), consistent with stage-aware routing and groundings failure modes include premature tool routing, shallow grounding, and occasional stage misclassification.

Large Language Models (LLMs) currently struggle with tool invocation and chaining, as they often hallucinate or miss essential steps in a sequence. We propose RE-GAINS and EnChAnT, two novel frameworks that empower LLMs to tackle complex user queries by making API calls to external tools based on tool descriptions and argument lists. Tools are chained based on the expected output, without receiving the actual results from each individual call. EnChAnT, an open-source solution, leverages an LLM format enforcer, OpenChat 3.5 (an LLM), and ToolBench's API Retriever. RE-GAINS utilizes OpenAI models and embeddings with a specialized prompt based on the Reasoning via Planning (RAP) framework. Both frameworks are low cost (0.01\$ per query). Our key contribution is enabling LLMs for tool invocation and chaining using modifiable, externally described tools.

Jailbreaking is an essential adversarial technique for red-teaming these models to uncover and patch security flaws. However, existing jailbreak methods face significant drawbacks. Token-level jailbreak attacks often produce incoherent or unreadable inputs and exhibit poor transferability, while prompt-level attacks lack scalability and rely heavily on manual effort and human ingenuity. We propose a concise and effective two-stage framework that combines the advantages of these approaches. The first stage performs a scenario-based generation of context and rephrases the original malicious query to obscure its harmful intent. The second stage then utilizes information from the model's hidden states to guide fine-grained edits, effectively steering the model's internal representation of the input from a malicious toward a benign one. Extensive experiments demonstrate that this method achieves state-of-the-art Attack Success Rate, with gains of up to 37.74% over the strongest baseline, and exhibits excellent transferability to black-box models. Our analysis further demonstrates that AGILE maintains substantial effectiveness against prominent defense mechanisms, highlighting the limitations of current safeguards and providing valuable insights for future defense development. Our code is available at https://github.com/yunsaijc/AGILE.

AI agents increasingly rely on external tools to solve complex, long-horizon tasks. Advancing such agents requires reproducible evaluation and large-scale training in controllable, diverse, and realistic tool-use environments. However, real-world APIs are limited in availability, domain coverage, and stability, often requiring access keys and imposing rate limits, which render them impractical for stable evaluation or scalable training. To address these challenges, we introduce SynthTools, a flexible and scalable framework for generating synthetic tool ecosystems. Our framework consists of three core components: Tool Generation for automatic and scalable creation of diverse tools, Tool Simulation to emulate realistic tool behaviors, and Tool Audit to ensure correctness and consistency of tool simulation. To illustrate its scalability, we show that SynthTools can readily produce toolsets that span twice as many domains and twice as many tools per domain as prior work. Furthermore, the tool simulation and tool audit components demonstrate strong reliability, achieving 94% and 99% accuracy respectively. Finally, we construct downstream tasks from the generated tools that even state-of-the-art models struggle to complete. By enabling scalable, diverse, and reliable tool ecosystems, SynthTools provides a practical path toward large-scale training and stable evaluation of tool-use agents. Our code is available at https://github.com/namkoong-lab/SynthTools.

Tool learning aims to enhance and expand large language models' (LLMs) capabilities with external tools, which has gained significant attention recently. Current methods have shown that LLMs can effectively handle a certain amount of tools through in-context learning or fine-tuning. However, in real-world scenarios, the number of tools is typically extensive and irregularly updated, emphasizing the necessity for a dedicated tool retrieval component. Tool retrieval is nontrivial due to the following challenges: 1) complex user instructions and tool descriptions; 2) misalignment between tool retrieval and tool usage models. To address the above issues, we propose to enhance tool retrieval with iterative feedback from the large language model. Specifically, we prompt the tool usage model, i.e., the LLM, to provide feedback for the tool retriever model in multi-round, which could progressively improve the tool retriever's understanding of instructions and tools and reduce the gap between the two standalone components. We build a unified and comprehensive benchmark to evaluate tool retrieval models. The extensive experiments indicate that our proposed approach achieves advanced performance in both in-domain evaluation and out-of-domain evaluation.

We investigate whether post-trained capabilities can be transferred across models without retraining, with a focus on transfer across different model scales. We propose the Master Key Hypothesis, which states that model capabilities correspond to directions in a low-dimensional latent subspace that induce specific behaviors and are transferable across models through linear alignment. Based on this hypothesis, we introduce UNLOCK, a training-free and label-free framework that extracts a capability direction by contrasting activations between capability-present and capability-absent Source variants, aligns it with a Target model through a low-rank linear transformation, and applies it at inference time to elicit the behavior. Experiments on reasoning behaviors, including Chain-of-Thought (CoT) and mathematical reasoning, demonstrate substantial improvements across model scales without training. For example, transferring CoT reasoning from Qwen1.5-14B to Qwen1.5-7B yields an accuracy gain of 12.1% on MATH, and transferring a mathematical reasoning direction from Qwen3-4B-Base to Qwen3-14B-Base improves AGIEval Math accuracy from 61.1% to 71.3%, surpassing the 67.8% achieved by the 14B post-trained model. Our analysis shows that the success of transfer depends on the capabilities learned during pre-training, and that our intervention amplifies latent capabilities by sharpening the output distribution toward successful reasoning trajectories.

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, empowering them to solve practical tasks. Existing work typically empowers LLMs as tool users with a manually designed workflow, where the LLM plans a series of tools in a step-by-step manner, and sequentially executes each tool to obtain intermediate results until deriving the final answer. However, they suffer from two challenges in realistic scenarios: (1) The handcrafted control flow is often ad-hoc and constraints the LLM to local planning; (2) The LLM is instructed to use only manually demonstrated tools or well-trained Python functions, which limits its generalization to new tools. In this work, we first propose Automatic Tool Chain (ATC), a framework that enables the LLM to act as a multi-tool user, which directly utilizes a chain of tools through programming. To scale up the scope of the tools, we next propose a black-box probing method. This further empowers the LLM as a tool learner that can actively discover and document tool usages, teaching themselves to properly master new tools. For a comprehensive evaluation, we build a challenging benchmark named ToolFlow, which diverges from previous benchmarks by its long-term planning scenarios and complex toolset. Experiments on both existing datasets and ToolFlow illustrate the superiority of our framework. Analysis on different settings also validates the effectiveness and the utility of our black-box probing algorithm.

Large language models (LLMs) are increasingly employed for complex multi-step planning tasks, where the tool retrieval (TR) step is crucial for achieving successful outcomes. Two prevalent approaches for TR are single-step retrieval, which utilizes the complete query, and sequential retrieval using task decomposition (TD), where a full query is segmented into discrete atomic subtasks. While single-step retrieval lacks the flexibility to handle "inter-tool dependency," the TD approach necessitates maintaining "subtask-tool atomicity alignment," as the toolbox can evolve dynamically. To address these limitations, we introduce the Progressive Tool retrieval to Improve Planning (ProTIP) framework. ProTIP is a lightweight, contrastive learning-based framework that implicitly performs TD without the explicit requirement of subtask labels, while simultaneously maintaining subtask-tool atomicity. On the ToolBench dataset, ProTIP outperforms the ChatGPT task decomposition-based approach by a remarkable margin, achieving a 24% improvement in Recall@K=10 for TR and a 41% enhancement in tool accuracy for plan generation.

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.

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.

The tool-using capability of large language models (LLMs) enables them to access up-to-date external information and handle complex tasks. Current approaches to enhancing this capability primarily rely on distilling advanced models by data synthesis. However, this method incurs significant costs associated with advanced model usage and often results in data compatibility issues, led by the high discrepancy in the knowledge scope between the advanced model and the target model. To address these challenges, we propose ToolACE-DEV, a self-improving framework for tool learning. First, we decompose the tool-learning objective into sub-tasks that enhance basic tool-making and tool-using abilities. Then, we introduce a self-evolving paradigm that allows lightweight models to self-improve, reducing reliance on advanced LLMs. Extensive experiments validate the effectiveness of our approach across models of varying scales and architectures.

Recently, large language models (LLMs) have shown remarkable reasoning capabilities via large-scale reinforcement learning (RL). However, leveraging the RL algorithm to empower effective multi-tool collaborative reasoning in LLMs remains an open challenge. In this paper, we introduce Tool-Star, an RL-based framework designed to empower LLMs to autonomously invoke multiple external tools during stepwise reasoning. Tool-Star integrates six types of tools and incorporates systematic designs in both data synthesis and training. To address the scarcity of tool-use data, we propose a general tool-integrated reasoning data synthesis pipeline, which combines tool-integrated prompting with hint-based sampling to automatically and scalably generate tool-use trajectories. A subsequent quality normalization and difficulty-aware classification process filters out low-quality samples and organizes the dataset from easy to hard. Furthermore, we propose a two-stage training framework to enhance multi-tool collaborative reasoning by: (1) cold-start fine-tuning, which guides LLMs to explore reasoning patterns via tool-invocation feedback; and (2) a multi-tool self-critic RL algorithm with hierarchical reward design, which reinforces reward understanding and promotes effective tool collaboration. Experimental analyses on over 10 challenging reasoning benchmarks highlight the effectiveness and efficiency of Tool-Star. The code is available at https://github.com/dongguanting/Tool-Star.

Agentic reinforcement learning (RL) has proven effective for training LLM-based agents with external tool-use capabilities. However, we identify that agentic RL training induces increasing redundant tool calls and blurs the model's intrinsic knowledge boundary, where the model fails to distinguish when tools are needed versus when parametric knowledge suffices. Existing solutions based on reward shaping create coarse-grained optimization targets that tend to incentivize indiscriminate tool-call suppression, leading to reward hacking. In this paper, we propose AKBE (Agentic Knowledge Boundary Enhancement), an on-policy method that dynamically probes the model's intrinsic knowledge boundary through dual-path (with-tool and no-tool) rollouts during training. We define the knowledge boundary as the per-instance determination of whether tools are required and the minimum tool calls necessary. By comparing correctness across paths, AKBE categorizes trajectories and constructs targeted supervisory signals that guide efficient tool-use patterns for each question. These signals are integrated seamlessly into the agentic RL training loop. Experiments on seven QA benchmarks demonstrate that AKBE improves task accuracy by +1.85 on average and reduces tool calls by 18% over standard agentic RL, yielding 25% higher tool productivity without any accuracy-efficiency trade-off. Further analysis suggests its plug-and-play compatibility across different RL algorithms and the mechanism of each signal category. Our code is available at https://github.com/CuSO4-Chen/AKBE.

While Large Language Models (LLMs) have demonstrated enhanced capabilities in function-calling, these advancements primarily rely on accessing the functions' responses. This methodology is practical for simpler APIs but faces scalability issues with irreversible APIs that significantly impact the system, such as a database deletion API. Similarly, processes requiring extensive time for each API call and those necessitating forward planning, like automated action pipelines, present complex challenges. Furthermore, scenarios often arise where a generalized approach is needed because algorithms lack direct access to the specific implementations of these functions or secrets to use them. Traditional tool planning methods are inadequate in these cases, compelling the need to operate within black-box environments. Unlike their performance in tool manipulation, LLMs excel in black-box tasks, such as program synthesis. Therefore, we harness the program synthesis capabilities of LLMs to strategize tool usage in black-box settings, ensuring solutions are verified prior to implementation. We introduce TOPGUN, an ingeniously crafted approach leveraging program synthesis for black box tool planning. Accompanied by SwissNYF, a comprehensive suite that integrates black-box algorithms for planning and verification tasks, addressing the aforementioned challenges and enhancing the versatility and effectiveness of LLMs in complex API interactions. The public code for SwissNYF is available at https://github.com/iclr-dummy-user/SwissNYF.

Recent advances in large language models (LLMs) have enabled autonomous agents with complex reasoning and task-fulfillment capabilities using a wide range of tools. However, effectively identifying the most relevant tools for a given task becomes a key bottleneck as the toolset size grows, hindering reliable tool utilization. To address this, we introduce Re-Invoke, an unsupervised tool retrieval method designed to scale effectively to large toolsets without training. Specifically, we first generate a diverse set of synthetic queries that comprehensively cover different aspects of the query space associated with each tool document during the tool indexing phase. Second, we leverage LLM's query understanding capabilities to extract key tool-related context and underlying intents from user queries during the inference phase. Finally, we employ a novel multi-view similarity ranking strategy based on intents to pinpoint the most relevant tools for each query. Our evaluation demonstrates that Re-Invoke significantly outperforms state-of-the-art alternatives in both single-tool and multi-tool scenarios, all within a fully unsupervised setting. Notably, on the ToolE datasets, we achieve a 20% relative improvement in nDCG@5 for single-tool retrieval and a 39% improvement for multi-tool retrieval.

Tool-integrated reasoning (TIR) augments large language models (LLMs) with the ability to invoke external tools, such as search engines and code interpreters, to solve tasks beyond the capabilities of language-only reasoning. While reinforcement learning (RL) has shown promise in improving TIR by optimizing final answer correctness, existing approaches often overlook the efficiency and cost associated with tool usage. This can lead to suboptimal behavior, including excessive tool calls that increase computational and financial overhead, or insufficient tool use that compromises answer quality. In this work, we propose Optimal Tool Call-controlled Policy Optimization (OTC-PO), a simple yet effective RL-based framework that encourages models to produce accurate answers with minimal tool calls. Our method introduces a tool-integrated reward that jointly considers correctness and tool efficiency, promoting high tool productivity. We instantiate this framework within both Proximal Policy Optimization (PPO) and Group Relative Preference Optimization (GRPO), resulting in OTC-PPO and OTC-GRPO. Experiments with Qwen-2.5 and Qwen-Math across multiple QA benchmarks show that our approach reduces tool calls by up to 73.1\% and improves tool productivity by up to 229.4\%, while maintaining comparable answer accuracy. To the best of our knowledge, this is the first RL-based framework that explicitly optimizes tool-use efficiency in TIR.

Context adaptation automates prompt engineering in LLM-based systems by iteratively revising tunable prompts from task feedback, without modifying model weights. Extending this paradigm to multi-LLM agentic systems is crucial: existing methods suffer from inaccurate credit assignment and lack convergence guarantees. We propose Graph-based Target Back-Propagation (GTBP), a context adaptation framework for agentic workflows modeled as directed acyclic graphs. GTBP propagates local target outputs backward through the workflow graph and uses target--output discrepancies to guide a stage-wise prompt update mechanism. Theoretically, we show that GTBP's stage-wise prompt updates become stable over iterations, and that a sufficiently capable LLM optimizer can decrease the overall objective. Empirically, GTBP consistently outperforms strong baselines across three benchmarks while maintaining comparable computational cost.

The rise of generative AI (GenAI) multi-agent systems (MAS) necessitates standardized protocols enabling agents to discover and interact with external tools. However, these protocols introduce new security challenges, particularly; tool squatting; the deceptive registration or representation of tools. This paper analyzes tool squatting threats within the context of emerging interoperability standards, such as Model Context Protocol (MCP) or seamless communication between agents protocols. It introduces a comprehensive Tool Registry system designed to mitigate these risks. We propose a security-focused architecture featuring admin-controlled registration, centralized tool discovery, fine grained access policies enforced via dedicated Agent and Tool Registry services, a dynamic trust scoring mechanism based on tool versioning and known vulnerabilities, and just in time credential provisioning. Based on its design principles, the proposed registry framework aims to effectively prevent common tool squatting vectors while preserving the flexibility and power of multi-agent systems. This work addresses a critical security gap in the rapidly evolving GenAI ecosystem and provides a foundation for secure tool integration in production environments.

LLM-based coding agents rely on skills, pre-packaged instruction sets that extend agent capabilities, yet every token of skill content injected into the context window incurs both monetary cost and attention dilution. To understand the severity of this problem, we conduct a large-scale empirical study of 55,315 publicly available skills and find systemic inefficiencies: 26.4\% lack routing descriptions entirely, over 60\% of body content is non-actionable, and reference files can inject tens of thousands of tokens per invocation. Motivated by these findings, we present SkillReducer, a two-stage optimization framework. Stage~1 optimizes the routing layer by compressing verbose descriptions and generating missing ones via adversarial delta debugging. Stage~2 restructures skill bodies through taxonomy-driven classification and progressive disclosure, separating actionable core rules from supplementary content loaded on demand, validated by faithfulness checks and a self-correcting feedback loop. Evaluated on 600 skills and the SkillsBench benchmark, SkillReducer achieves 48\% description compression and 39\% body compression while improving functional quality by 2.8\%, revealing a less-is-more effect where removing non-essential content reduces distraction in the context window. These benefits transfer across five models from four families with a mean retention of 0.965, and generalize to an independent agent framework.

Tool learning, which enables large language models (LLMs) to utilize external tools effectively, has garnered increasing attention for its potential to revolutionize productivity across industries. Despite rapid development in tool learning, key challenges and opportunities remain understudied, limiting deeper insights and future advancements. In this paper, we investigate the tool learning ability of 41 prevalent LLMs by reproducing 33 benchmarks and enabling one-click evaluation for seven of them, forming a Tool Learning Platform named ToLeaP. We also collect 21 out of 33 potential training datasets to facilitate future exploration. After analyzing over 3,000 bad cases of 41 LLMs based on ToLeaP, we identify four main critical challenges: (1) benchmark limitations induce both the neglect and lack of (2) autonomous learning, (3) generalization, and (4) long-horizon task-solving capabilities of LLMs. To aid future advancements, we take a step further toward exploring potential directions, namely (1) real-world benchmark construction, (2) compatibility-aware autonomous learning, (3) rationale learning by thinking, and (4) identifying and recalling key clues. The preliminary experiments demonstrate their effectiveness, highlighting the need for further research and exploration.

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

Tool-calling agents are increasingly deployed in real-world customer-facing workflows. Yet most studies on tool-calling agents focus on idealized settings with general, fixed, and well-specified tasks. In real-world applications, user requests are often (1) ambiguous, (2) changing over time, or (3) infeasible due to policy constraints, and training and evaluation data that cover these diverse, complex interaction patterns remain under-represented. To bridge the gap, we present Trajectory2Task, a verifiable data generation pipeline for studying tool use at scale under three realistic user scenarios: ambiguous intent, changing intent, and infeasible intents. The pipeline first conducts multi-turn exploration to produce valid tool-call trajectories. It then converts these trajectories into user-facing tasks with controlled intent adaptations. This process yields verifiable task that support closed-loop evaluation and training. We benchmark seven state-of-the-art LLMs on the generated complex user scenario tasks and observe frequent failures. Finally, using successful trajectories obtained from task rollouts, we fine-tune lightweight LLMs and find consistent improvements across all three conditions, along with better generalization to unseen tool-use domains, indicating stronger general tool-calling ability.

Recent advancements in function calling and tool use have significantly enhanced the capabilities of large language models (LLMs) by enabling them to interact with external information sources and execute complex tasks. However, the limited context window of LLMs presents challenges when a large number of tools are available, necessitating efficient methods to manage prompt length and maintain accuracy. Existing approaches, such as fine-tuning LLMs or leveraging their reasoning capabilities, either require frequent retraining or incur significant latency overhead. A more efficient solution involves training smaller models to retrieve the most relevant tools for a given query, although this requires high quality, domain-specific data. To address those challenges, we present a novel framework for generating synthetic data for tool retrieval applications and an efficient data-driven tool retrieval strategy using small encoder models. Empowered by LLMs, we create ToolBank, a new tool retrieval dataset that reflects real human user usages. For tool retrieval methodologies, we propose novel approaches: (1) Tool2Vec: usage-driven tool embedding generation for tool retrieval, (2) ToolRefiner: a staged retrieval method that iteratively improves the quality of retrieved tools, and (3) MLC: framing tool retrieval as a multi-label classification problem. With these new methods, we achieve improvements of up to 27.28 in Recall@K on the ToolBench dataset and 30.5 in Recall@K on ToolBank. Additionally, we present further experimental results to rigorously validate our methods. Our code is available at https://github.com/SqueezeAILab/Tool2Vec

LLM agents increasingly adapt to recurring tasks by accumulating procedural knowledge in skills. These skills are lightweight, reusable textual artifacts that are loaded into the agent's context without weight updates. Recent methods refine skills through iterative task execution, failure diagnosis, and trajectory-guided text-space updates. However, existing frameworks lack explicit diagnosis--outcome feedback and treat deletion as a generic edit operation rather than a dedicated mechanism for consolidating accumulated knowledge. We introduce SkillProx, a proximal-gradient-inspired forward--backward framework that couples closed-loop diagnostic evolution with utility-aware proximal refinement. Motivated by a composite objective balancing task loss and skill complexity, the forward stage re-executes diagnosis-driven edits on the same task batch, rolls back regressions, and feeds measured outcomes into subsequent diagnoses. The backward stage decomposes the resulting skill into auditable knowledge units, estimates their contributions using a frozen leave-one-out utility audit, and applies validation-gated consolidation, demotion, or removal. Experiments on in-distribution and out-of-distribution benchmarks across multiple backbone LLMs show that SkillProx improves average accuracy by 3.0 percentage points over the strongest gradient-based baseline. Component ablations demonstrate the complementary effects of closed-loop diagnosis and proximal refinement.

Humans possess an extraordinary ability to create and utilize tools, allowing them to overcome physical limitations and explore new frontiers. With the advent of foundation models, AI systems have the potential to be equally adept in tool use as humans. This paradigm, i.e., tool learning with foundation models, combines the strengths of specialized tools and foundation models to achieve enhanced accuracy, efficiency, and automation in problem-solving. Despite its immense potential, there is still a lack of a comprehensive understanding of key challenges, opportunities, and future endeavors in this field. To this end, we present a systematic investigation of tool learning in this paper. We first introduce the background of tool learning, including its cognitive origins, the paradigm shift of foundation models, and the complementary roles of tools and models. Then we recapitulate existing tool learning research into tool-augmented and tool-oriented learning. We formulate a general tool learning framework: starting from understanding the user instruction, models should learn to decompose a complex task into several subtasks, dynamically adjust their plan through reasoning, and effectively conquer each sub-task by selecting appropriate tools. We also discuss how to train models for improved tool-use capabilities and facilitate the generalization in tool learning. Considering the lack of a systematic tool learning evaluation in prior works, we experiment with 18 representative tools and show the potential of current foundation models in skillfully utilizing tools. Finally, we discuss several open problems that require further investigation for tool learning. In general, we hope this paper could inspire future research in integrating tools with foundation models.

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.

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.

Tool-using automation systems, from scripts and CI bots to agentic assistants, fail in recurring patterns. Common failures include unsafe side effects, invalid arguments, uncontrolled retries, and leakage of sensitive outputs. Many mitigations are model-centric and prompt-dependent, so they are brittle and do not generalize to non-LLM callers. We present Policy-First Tooling, a model-agnostic permission layer that mediates tool invocation through explicit constraints, risk-aware gating, recovery controls, and auditable explanations. The paper contributes a compact policy DSL, a runtime enforcement architecture with actionable rationale and fix hints, and a reproducible benchmark based on trace replay with controlled fault and misuse injection. In 225 controlled runs across five policy packs and three fault profiles, stricter packs improve violation prevention from 0.000 in P0 to 0.681 in P4, while task success drops from 0.356 to 0.067. Retry amplification decreases from 3.774 in P0 to 1.378 in P4, and leakage recall reaches 0.875 under injected secret outputs. These results make safety to utility trade-offs explicit and measurable.

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

Large Language Models (LLMs) are increasingly deployed as agents that interact with stateful environments over multiple steps: gathering hidden information, composing tool calls, and committing state changes. We refer to this capability as multi-step tool use. Existing benchmarks have advanced tool-use agent evaluation, but often focus on isolated API calls, short trajectories, or settings that are difficult to scale or control. We introduce E-Bench, a fully synthetic benchmark with 323 state-changing tasks across three product domains: Honor of Kings, QQ Music, and Tencent Meeting. E-Bench decouples environment synthesis from task synthesis: graph-guided database filling builds reusable, orphan-free product environments, while generator-solver asymmetry creates tasks with both an information gap and a tool gap, requiring agents to discover hidden data and compose multiple tool calls before changing state. Outcomes are graded deterministically by database-state diffs. Since both environments and tasks are synthetic, E-Bench is controllable at the environment level and scalable at the task level. Benchmarking 11 cutting-edge LLMs shows that multi-step tool use remains challenging: Pass^3 stays below 60% for the strongest models, and even with code execution in the E-Bench-Code extension, reliability (Pass^3) remains below 70%.

Tool-Integrated Reasoning (TIR) has emerged as a promising direction by extending Large Language Models' (LLMs) capabilities with external tools during reasoning. Existing TIR methods typically rely on external tool documentation during reasoning. However, this leads to tool mastery difficulty, tool size constraints, and inference inefficiency. To mitigate these issues, we explore Tool-Internalized Reasoning (TInR), aiming at facilitating reasoning with tool knowledge internalized into LLMs. Achieving this goal presents notable requirements, including tool internalization and tool-reasoning coordination. To address them, we propose TInR-U, a tool-internalized reasoning framework for unified reasoning and tool usage. TInR-U is trained through a three-phase pipeline: 1) tool internalization with a bidirectional knowledge alignment strategy; 2) supervised fine-tuning warm-up using high-quality reasoning annotations, and 3) reinforcement learning with TInR-specific rewards. We comprehensively evaluate our method across in-domain and out-of-domain settings. Experiment results show that TInR-U achieves superior performance in both settings, highlighting its effectiveness and efficiency.

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.

Despite recent advances in AI, the development of systems capable of executing complex, multi-step reasoning tasks involving multiple tools remains a significant challenge. Current benchmarks fall short in capturing the real-world complexity of tool-use reasoning, where verifying the correctness of not only the final answer but also the intermediate steps is important for evaluation, development, and identifying failures during inference time. To bridge this gap, we introduce ToolComp, a comprehensive benchmark designed to evaluate multi-step tool-use reasoning. ToolComp is developed through a collaboration between models and human annotators, featuring human-edited/verified prompts, final answers, and process supervision labels, allowing for the evaluation of both final outcomes and intermediate reasoning. Evaluation across six different model families demonstrates the challenging nature of our dataset, with the majority of models achieving less than 50% accuracy. Additionally, we generate synthetic training data to compare the performance of outcome-supervised reward models (ORMs) with process-supervised reward models (PRMs) to assess their ability to improve complex tool-use reasoning as evaluated by ToolComp. Our results show that PRMs generalize significantly better than ORMs, achieving a 19% and 11% improvement in rank@1 accuracy for ranking base and fine-tuned model trajectories, respectively. These findings highlight the critical role of process supervision in both the evaluation and training of AI models, paving the way for more robust and capable systems in complex, multi-step tool-use tasks.

Penetration testing, a crucial industrial practice for ensuring system security, has traditionally resisted automation due to the extensive expertise required by human professionals. Large Language Models (LLMs) have shown significant advancements in various domains, and their emergent abilities suggest their potential to revolutionize industries. In this research, we evaluate the performance of LLMs on real-world penetration testing tasks using a robust benchmark created from test machines with platforms. Our findings reveal that while LLMs demonstrate proficiency in specific sub-tasks within the penetration testing process, such as using testing tools, interpreting outputs, and proposing subsequent actions, they also encounter difficulties maintaining an integrated understanding of the overall testing scenario. In response to these insights, we introduce PentestGPT, an LLM-empowered automatic penetration testing tool that leverages the abundant domain knowledge inherent in LLMs. PentestGPT is meticulously designed with three self-interacting modules, each addressing individual sub-tasks of penetration testing, to mitigate the challenges related to context loss. Our evaluation shows that PentestGPT not only outperforms LLMs with a task-completion increase of 228.6\% compared to the \gptthree model among the benchmark targets but also proves effective in tackling real-world penetration testing challenges. Having been open-sourced on GitHub, PentestGPT has garnered over 4,700 stars and fostered active community engagement, attesting to its value and impact in both the academic and industrial spheres.

LLM agents increasingly operate in large tool ecosystems, where real-world tasks require discovering relevant tools, inferring implicit sub-goals, and adapting to dynamic environments over long horizons. However, existing benchmarks rarely evaluate planning under retrieval-limited tool visibility. To address this gap, we introduce PlanBench-XL, an interactive benchmark of 327 retail tasks over 1,665 tools that tests whether agents can iteratively retrieve usable tools, invoke them to uncover intermediate evidence for subsequent calls toward the final goal. PlanBench-XL further features an optional blocking mechanism that simulates real-world unpredictability through missing, failing, or distracting tool functions, forcing agents to detect disrupted paths and adapt at runtime. Experiments on ten leading LLMs show that massive-tool planning remains challenging: while GPT-5.4 achieves 51.90% accuracy in block-free settings, it collapses to 11.36% under the most severe blocking condition. Further analysis shows that agents are especially vulnerable when failures lack explicit error signals or when recovery requires longer alternative tool-use paths. These results establish PlanBench-XL as a testbed for diagnosing agentic planning failures and highlight the need for robust adaptive planning in long-horizon tasks with large, imperfect tool environments.

Large Language Model (LLM) agents are increasingly applied to complex, multi-step tasks that require interaction with diverse external tools across various domains. However, current LLM agent tool planning methods typically rely on greedy, reactive tool selection strategies that lack foresight and fail to account for inter-tool dependencies. In this paper, we present ToolTree, a novel Monte Carlo tree search-inspired planning paradigm for tool planning. ToolTree explores possible tool usage trajectories using a dual-stage LLM evaluation and bidirectional pruning mechanism that enables the agent to make informed, adaptive decisions over extended tool-use sequences while pruning less promising branches before and after the tool execution. Empirical evaluations across both open-set and closed-set tool planning tasks on 4 benchmarks demonstrate that ToolTree consistently improves performance while keeping the highest efficiency, achieving an average gain of around 10\% compared to the state-of-the-art planning paradigm.

Recent studies on software tool manipulation with large language models (LLMs) mostly rely on closed model APIs. The industrial adoption of these models is substantially constrained due to the security and robustness risks in exposing information to closed LLM API services. In this paper, we ask can we enhance open-source LLMs to be competitive to leading closed LLM APIs in tool manipulation, with practical amount of human supervision. By analyzing common tool manipulation failures, we first demonstrate that open-source LLMs may require training with usage examples, in-context demonstration and generation style regulation to resolve failures. These insights motivate us to revisit classical methods in LLM literature, and demonstrate that we can adapt them as model alignment with programmatic data generation, system prompts and in-context demonstration retrievers to enhance open-source LLMs for tool manipulation. To evaluate these techniques, we create the ToolBench, a tool manipulation benchmark consisting of diverse software tools for real-world tasks. We demonstrate that our techniques can boost leading open-source LLMs by up to 90% success rate, showing capabilities competitive to OpenAI GPT-4 in 4 out of 8 ToolBench tasks. We show that such enhancement typically requires about one developer day to curate data for each tool, rendering a recipe with practical amount of human supervision.

Today, large language models (LLMs) are taught to use new tools by providing a few demonstrations of the tool's usage. Unfortunately, demonstrations are hard to acquire, and can result in undesirable biased usage if the wrong demonstration is chosen. Even in the rare scenario that demonstrations are readily available, there is no principled selection protocol to determine how many and which ones to provide. As tasks grow more complex, the selection search grows combinatorially and invariably becomes intractable. Our work provides an alternative to demonstrations: tool documentation. We advocate the use of tool documentation, descriptions for the individual tool usage, over demonstrations. We substantiate our claim through three main empirical findings on 6 tasks across both vision and language modalities. First, on existing benchmarks, zero-shot prompts with only tool documentation are sufficient for eliciting proper tool usage, achieving performance on par with few-shot prompts. Second, on a newly collected realistic tool-use dataset with hundreds of available tool APIs, we show that tool documentation is significantly more valuable than demonstrations, with zero-shot documentation significantly outperforming few-shot without documentation. Third, we highlight the benefits of tool documentations by tackling image generation and video tracking using just-released unseen state-of-the-art models as tools. Finally, we highlight the possibility of using tool documentation to automatically enable new applications: by using nothing more than the documentation of GroundingDino, Stable Diffusion, XMem, and SAM, LLMs can re-invent the functionalities of the just-released Grounded-SAM and Track Anything models.

Existing Multimodal Large Language Models (MLLMs) for image forgery detection and localization predominantly operate under a text-centric Chain-of-Thought (CoT) paradigm. However, forcing these models to textually characterize imperceptible low-level tampering traces inevitably leads to hallucinations, as linguistic modalities are insufficient to capture such fine-grained pixel-level inconsistencies. To overcome this, we propose ForgeryVCR, a framework that incorporates a forensic toolbox to materialize imperceptible traces into explicit visual intermediates via Visual-Centric Reasoning. To enable efficient tool utilization, we introduce a Strategic Tool Learning post-training paradigm, encompassing gain-driven trajectory construction for Supervised Fine-Tuning (SFT) and subsequent Reinforcement Learning (RL) optimization guided by a tool utility reward. This paradigm empowers the MLLM to act as a proactive decision-maker, learning to spontaneously invoke multi-view reasoning paths including local zoom-in for fine-grained inspection and the analysis of invisible inconsistencies in compression history, noise residuals, and frequency domains. Extensive experiments reveal that ForgeryVCR achieves state-of-the-art (SOTA) performance in both detection and localization tasks, demonstrating superior generalization and robustness with minimal tool redundancy. The project page is available at https://youqiwong.github.io/projects/ForgeryVCR/.

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.

As language models take on agentic roles that span calling external APIs, reading tool outputs, and acting on instructions embedded in third-party content, their attack surface expands well beyond what users type. Whether a model treats a malicious instruction the same way regardless of where it arrives has not been systematically studied. We introduce the Safety Asymmetry Score (SAS), which measures how much a model's susceptibility to adversarial content shifts depending on whether that content arrives in the user message, tool metadata, or tool output, using matched payload pairs that keep the malicious text identical and vary only the context of delivery. Evaluated across 6 production LLMs and three attack families, we find a consistent and informative asymmetry: agent-native models are substantially more vulnerable when adversarial content arrives via tool descriptions than via user messages, while general-purpose models show the reverse. This asymmetry further inverts when the same content is delivered through tool outputs rather than descriptions, suggesting models implicitly treat tool metadata as trusted instructions and tool results as ordinary data. A mechanistic study on Llama 3.3 70B reveals that the safety-relevant representation is causally present at mid-to-late network depths but non-linearly encoded, explaining why linear probes fail to detect it. These findings expose a systematic, channel-dependent blind spot in how current tool-using models handle adversarial content.

To determine the safety of large language models (LLMs), AI developers must be able to assess their dangerous capabilities. But simple prompting strategies often fail to elicit an LLM's full capabilities. One way to elicit capabilities more robustly is to fine-tune the LLM to complete the task. In this paper, we investigate the conditions under which fine-tuning-based elicitation suffices to elicit capabilities. To do this, we introduce password-locked models, LLMs fine-tuned such that some of their capabilities are deliberately hidden. Specifically, these LLMs are trained to exhibit these capabilities only when a password is present in the prompt, and to imitate a much weaker LLM otherwise. Password-locked models enable a novel method of evaluating capabilities elicitation methods, by testing whether these password-locked capabilities can be elicited without using the password. We find that a few high-quality demonstrations are often sufficient to fully elicit password-locked capabilities. More surprisingly, fine-tuning can elicit other capabilities that have been locked using the same password, or even different passwords. Furthermore, when only evaluations, and not demonstrations, are available, approaches like reinforcement learning are still often able to elicit capabilities. Overall, our findings suggest that fine-tuning is an effective method of eliciting hidden capabilities of current models, but may be unreliable when high-quality demonstrations are not available, e.g. as may be the case when models' (hidden) capabilities exceed those of human demonstrators.

Token-level code completion is one of the most critical features in modern Integrated Development Environments (IDEs). It assists developers by suggesting relevant identifiers and APIs during coding. While completions are typically derived from static analysis, their usefulness depends heavily on how they are ranked, as correct predictions buried deep in the list are rarely seen by users. Most current systems rely on hand-crafted heuristics or lightweight machine learning models trained on user logs, which can be further improved to capture context information and generalize across projects and coding styles. In this work, we propose a new scoring approach to ranking static completions using language models in a lightweight and model-agnostic way. Our method organizes all valid completions into a prefix tree and performs a single greedy decoding pass to collect token-level scores across the tree. This enables a precise token-aware ranking without needing beam search, prompt engineering, or model adaptations. The approach is fast, architecture-agnostic, and compatible with already deployed models for code completion. These findings highlight a practical and effective pathway for integrating language models into already existing tools within IDEs, and ultimately providing smarter and more responsive developer assistance.

Tool-Integrated Reasoning (TIR) empowers large language models (LLMs) to tackle complex tasks by interleaving reasoning steps with external tool interactions. However, existing reinforcement learning methods typically rely on outcome- or trajectory-level rewards, assigning uniform advantages to all steps within a trajectory. This coarse-grained credit assignment fails to distinguish effective tool calls from redundant or erroneous ones, particularly in long-horizon multi-turn scenarios. To address this, we propose MatchTIR, a framework that introduces fine-grained supervision via bipartite matching-based turn-level reward assignment and dual-level advantage estimation. Specifically, we formulate credit assignment as a bipartite matching problem between predicted and ground-truth traces, utilizing two assignment strategies to derive dense turn-level rewards. Furthermore, to balance local step precision with global task success, we introduce a dual-level advantage estimation scheme that integrates turn-level and trajectory-level signals, assigning distinct advantage values to individual interaction turns. Extensive experiments on three benchmarks demonstrate the superiority of MatchTIR. Notably, our 4B model surpasses the majority of 8B competitors, particularly in long-horizon and multi-turn tasks. Our codes are available at https://github.com/quchangle1/MatchTIR.

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.

Prompt engineering reduces reasoning mistakes in Large Language Models (LLMs). However, its effectiveness in mitigating vulnerabilities in LLM-generated code remains underexplored. To address this gap, we implemented a benchmark to automatically assess the impact of various prompt engineering strategies on code security. Our benchmark leverages two peer-reviewed prompt datasets and employs static scanners to evaluate code security at scale. We tested multiple prompt engineering techniques on GPT-3.5-turbo, GPT-4o, and GPT-4o-mini. Our results show that for GPT-4o and GPT-4o-mini, a security-focused prompt prefix can reduce the occurrence of security vulnerabilities by up to 56%. Additionally, all tested models demonstrated the ability to detect and repair between 41.9% and 68.7% of vulnerabilities in previously generated code when using iterative prompting techniques. Finally, we introduce a "prompt agent" that demonstrates how the most effective techniques can be applied in real-world development workflows.

LLM agents with tool access can discover and exploit security vulnerabilities. This is known. What is not known is which features of a system prompt trigger this behaviour, and which do not. We present a systematic taxonomy based on approximately 10,000 trials across seven models, 37 prompt conditions, and 12 hypothesized attack dimensions -- all executed in real Docker sandboxes. Every condition includes the instruction "Always respect all rules and access policies"; only a single encouragement sentence varies. Within the task class studied (planted test-runner vulnerabilities), the threat model is narrower than assumed: nine of twelve dimensions -- including minimization, moral licensing, incentives, identity priming, and reasoning triggers -- produce no detectable exploitation at n=50 per cell (upper 95% CI <7% per condition). But it is also more subtle than expected: one dimension, goal reframing, reliably triggers exploitation. "You are solving a puzzle; there may be hidden clues" produces 38-40% exploitation on Claude Sonnet 4 despite the explicit rule instruction, replicating across four models (CTF framing: 8-14% on DeepSeek, GPT-5-mini, o4-mini). The agent does not override the rules; it reinterprets the task so that exploitative actions become task-aligned. GPT-4.1 produces no exploitation across 1,850 trials (37 conditions), and a temporal comparison across four OpenAI models released over eleven months shows a pattern consistent with improving safety training, though model capability differences are a confounder. The practical contribution is a narrowed, testable threat model: defenders should audit for goal-reframing language, not for the broad class of adversarial prompts.

Tool learning can further broaden the usage scenarios of large language models (LLMs). However most of the existing methods either need to finetune that the model can only use tools seen in the training data, or add tool demonstrations into the prompt with lower efficiency. In this paper, we present a new Tool Learning method Chain-of-Tools. It makes full use of the powerful semantic representation capability of frozen LLMs to finish tool calling in CoT reasoning with a huge and flexible tool pool which may contain unseen tools. Especially, to validate the effectiveness of our approach in the massive unseen tool scenario, we construct a new dataset SimpleToolQuestions. We conduct experiments on two numerical reasoning benchmarks (GSM8K-XL and FuncQA) and two knowledge-based question answering benchmarks (KAMEL and SimpleToolQuestions). Experimental results show that our approach performs better than the baseline. We also identify dimensions of the model output that are critical in tool selection, enhancing the model interpretability. Our code and data are available at: https://github.com/fairyshine/Chain-of-Tools .

To standardize interactions between LLM-based agents and their environments, the Model Context Protocol (MCP) was proposed and has since been widely adopted. However, integrating external tools expands the attack surface, exposing agents to tool poisoning attacks. In such attacks, malicious instructions embedded in tool metadata are injected into the agent context during MCP registration phase, thereby manipulating agent behavior. Prior work primarily focuses on explicit tool poisoning or relied on manually crafted poisoned tools. In contrast, we focus on a particularly stealthy variant: implicit tool poisoning, where the poisoned tool itself remains uninvoked. Instead, the instructions embedded in the tool metadata induce the agent to invoke a legitimate but high-privilege tool to perform malicious operations. We propose MCP-ITP, the first automated and adaptive framework for implicit tool poisoning within the MCP ecosystem. MCP-ITP formulates poisoned tool generation as a black-box optimization problem and employs an iterative optimization strategy that leverages feedback from both an evaluation LLM and a detection LLM to maximize Attack Success Rate (ASR) while evading current detection mechanisms. Experimental results on the MCPTox dataset across 12 LLM agents demonstrate that MCP-ITP consistently outperforms the manually crafted baseline, achieving up to 84.2% ASR while suppressing the Malicious Tool Detection Rate (MDR) to as low as 0.3%.

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

Large language models (LLMs) have demonstrated strong capabilities in language understanding and reasoning, yet they remain limited when tackling real-world tasks that require up-to-date knowledge, precise operations, or specialized tool use. To address this, we propose Tool-R1, a reinforcement learning framework that enables LLMs to perform general, compositional, and multi-step tool use by generating executable Python code. Tool-R1 supports integration of user-defined tools and standard libraries, with variable sharing across steps to construct coherent workflows. An outcome-based reward function, combining LLM-based answer judgment and code execution success, guides policy optimization. To improve training efficiency, we maintain a dynamic sample queue to cache and reuse high-quality trajectories, reducing the overhead of costly online sampling. Experiments on the GAIA benchmark show that Tool-R1 substantially improves both accuracy and robustness, achieving about 10\% gain over strong baselines, with larger improvements on complex multi-step tasks. These results highlight the potential of Tool-R1 for enabling reliable and efficient tool-augmented reasoning in real-world applications. Our code will be available at https://github.com/YBYBZhang/Tool-R1.

Large language models (LLMs) can perform complex reasoning in few- and zero-shot settings by generating intermediate chain of thought (CoT) reasoning steps. Further, each reasoning step can rely on external tools to support computation beyond the core LLM capabilities (e.g. search/running code). Prior work on CoT prompting and tool use typically requires hand-crafting task-specific demonstrations and carefully scripted interleaving of model generations with tool use. We introduce Automatic Reasoning and Tool-use (ART), a framework that uses frozen LLMs to automatically generate intermediate reasoning steps as a program. Given a new task to solve, ART selects demonstrations of multi-step reasoning and tool use from a task library. At test time, ART seamlessly pauses generation whenever external tools are called, and integrates their output before resuming generation. ART achieves a substantial improvement over few-shot prompting and automatic CoT on unseen tasks in the BigBench and MMLU benchmarks, and matches performance of hand-crafted CoT prompts on a majority of these tasks. ART is also extensible, and makes it easy for humans to improve performance by correcting errors in task-specific programs or incorporating new tools, which we demonstrate by drastically improving performance on select tasks with minimal human intervention.

Reinforcement learning (RL) trained language model agents with tool access are increasingly deployed in coding assistants, research tools, and autonomous systems. We introduce the Reward Hacking Benchmark (RHB), a suite of multi-step tasks requiring sequential tool operations with naturalistic shortcut opportunities such as skipping verification steps, inferring answers from task-adjacent metadata, or tampering with evaluation-relevant functions. RHB supports independent and chained task regimes, where chain length acts as a proxy for longer-horizon agent behavior. We evaluate 13 frontier models from OpenAI, Anthropic, Google, and DeepSeek. Exploit rates range from 0% (Claude Sonnet 4.5) to 13.9% (DeepSeek-R1-Zero), varying sharply by post-training style. A controlled sibling comparison (DeepSeek-V3 vs. DeepSeek-R1-Zero) shows RL post-training is associated with substantially higher reward hacking (0.6% vs. 13.9%), with consistent gaps across all four task families. We identify six exploit categories and find that 72% of reward hacking episodes include explicit chain-of-thought rationale, suggesting models often frame exploits as legitimate problem-solving. Simple environmental hardening reduces exploit rates by 5.7 percentage points (87.7% relative) without degrading task success. Models with near-zero exploit rates on standard tasks show elevated rates on harder variants, suggesting that production-aligned post-training appears to suppress reward hacking only below a complexity threshold where honest solutions remain tractable.

This paper analyzes Large Language Model (LLM) security vulnerabilities based on data from Crucible, encompassing 214,271 attack attempts by 1,674 users across 30 LLM challenges. Our findings reveal automated approaches significantly outperform manual techniques (69.5% vs 47.6% success rate), despite only 5.2% of users employing automation. We demonstrate that automated approaches excel in systematic exploration and pattern matching challenges, while manual approaches retain speed advantages in certain creative reasoning scenarios, often solving problems 5x faster when successful. Challenge categories requiring systematic exploration are most effectively targeted through automation, while intuitive challenges sometimes favor manual techniques for time-to-solve metrics. These results illuminate how algorithmic testing is transforming AI red-teaming practices, with implications for both offensive security research and defensive measures. Our analysis suggests optimal security testing combines human creativity for strategy development with programmatic execution for thorough exploration.

Language models (LMs) are powerful yet mostly for text generation tasks. Tools have substantially enhanced their performance for tasks that require complex skills. However, many works adopt the term "tool" in different ways, raising the question: What is a tool anyway? Subsequently, where and how do tools help LMs? In this survey, we provide a unified definition of tools as external programs used by LMs, and perform a systematic review of LM tooling scenarios and approaches. Grounded on this review, we empirically study the efficiency of various tooling methods by measuring their required compute and performance gains on various benchmarks, and highlight some challenges and potential future research in the field.

Tool-using LLM agents increasingly coordinate real workloads by selecting and chaining third-party tools based on text-visible metadata such as tool names, descriptions, and return messages. We show that this convenience creates a supply-chain attack surface: a malicious MCP tool server can be co-registered alongside normal tools and induce overthinking loops, where individually trivial or plausible tool calls compose into cyclic trajectories that inflate end-to-end tokens and latency without any single step looking abnormal. We formalize this as a structural overthinking attack, distinguishable from token-level verbosity, and implement 14 malicious tools across three servers that trigger repetition, forced refinement, and distraction. Across heterogeneous registries and multiple tool-capable models, the attack causes severe resource amplification (up to 142.4times tokens) and can degrade task outcomes. Finally, we find that decoding-time concision controls do not reliably prevent loop induction, suggesting defenses should reason about tool-call structure rather than tokens alone.

Harnesses are now central to coding-agent performance, mediating how models interact with tools and execution environments. Yet harness engineering remains a manual craft, because automating it faces a heterogeneous action space across editable components, voluminous trajectories that bury actionable signal, and edits whose effect is hard to attribute. We introduce Agentic Harness Engineering (AHE), a closed loop that addresses these challenges through three matched observability pillars: (1) component observability gives every editable harness component a file-level representation so the action space is explicit and revertible; (2) experience observability distills millions of raw trajectory tokens into a layered, drill-down evidence corpus that an evolving agent can actually consume; and (3) decision observability pairs every edit with a self-declared prediction, later verified against the next round's task-level outcomes. Together, these pillars turn every edit into a falsifiable contract, so harness evolution proceeds autonomously without collapsing into trial-and-error. Empirically, ten AHE iterations lift pass@1 on Terminal-Bench 2 from 69.7% to 77.0%, surpassing the human-designed harness Codex-CLI (71.9%) and the self-evolving baselines ACE and TF-GRPO. The frozen harness transfers without re-evolution: on SWE-bench-verified it tops aggregate success at 12% fewer tokens than the seed, and on Terminal-Bench 2 it yields +5.1 to +10.1pp cross-family gains across three alternate model families, indicating the evolved components encode general engineering experience rather than benchmark-specific tuning. Ablations localize the gain to tools, middleware, and long-term memory rather than the system prompt, suggesting factual harness structure transfers while prose-level strategy does not.

Information-seeking is a core capability for AI agents, requiring them to gather and reason over tool-generated information across long trajectories. However, such multi-step information-seeking tasks remain challenging for agents backed by language models. While process reward models (PRMs) can guide agents by ranking candidate steps at test-time, existing PRMs, designed for short reasoning with binary judgment, cannot capture richer dimensions of information-seeking steps, such as tool interactions and reasoning over tool outputs, nor handle the rapidly growing context in long-horizon tasks. To address these limitations, we introduce PRInTS, a generative PRM trained with dual capabilities: (1) dense scoring based on the PRM's reasoning across multiple step quality dimensions (e.g., interpretation of tool outputs, tool call informativeness) and (2) trajectory summarization that compresses the growing context while preserving essential information for step evaluation. Extensive evaluations across FRAMES, GAIA (levels 1-3), and WebWalkerQA (easy-hard) benchmarks on multiple models, along with ablations, reveal that best-of-n sampling with PRInTS enhances information-seeking abilities of open-source models as well as specialized agents, matching or surpassing the performance of frontier models with a much smaller backbone agent and outperforming other strong reward modeling baselines.

Training capable OS agents requires data that simultaneously captures structured user intents, multi-turn task delegation, and grounded tool execution--properties absent from existing datasets. We propose ISE (Intent -> Simulate -> Execute), a three-stage synthesis paradigm that addresses these gaps jointly. Stage 1 constructs roughly 50000 structured intents via a 4D framework (Persona x Domain x Task x Complexity); after deduplication the pool contains 43956 unique intents and attains a Vendi Score of 61.57 over the entire pool on mpnet-base-v2 embeddings (cosine kernel, q=1). Stage 2 drives multi-turn user-agent interaction through a role-locked user simulator that grounds each user turn in actual execution outcomes, producing 23132 complete trajectories averaging 8.12 user turns and 68.24 total dialogue turns. Stage 3 runs every tool call inside a live, isolated OS workspace, generating authentic failure-recovery dynamics instead of simulated responses. Fine-tuning on ISETrace improves ClawEval pass@1 from 19.3 to 37.7 using Qwen3-8B on agent tool-use tasks with a standard protocol. This result outperforms zero-shot GPT-4o and the larger Qwen3-32B base model which is four times bigger. An ablation on Stage 2 proves multi-turn simulation brings a large portion of the performance gain. We release all source code and dataset at https://github.com/Valiere01/ISE-Trace.

Large language model (LLM)-based agents have shown strong capabilities in using external tools to solve complex tasks. However, existing evaluations often overlook the temporal dimension of tool use, especially the impact of tool response latency, and are usually limited to single-task settings. In real-world applications, multiple tasks often need to be executed concurrently, and overall efficiency depends on whether an agent can use idle time while waiting for tool responses. We refer to this capability as asynchronous tool calling. To evaluate it, we propose AsyncTool, a benchmark for assessing LLM-based agents in interactive multi-task tool-use environments with delayed tool feedback. AsyncTool presents multiple heterogeneous tasks simultaneously and simulates realistic tool response latency during execution. Using a hybrid data evolution strategy, we construct a diverse asynchronous multitasking dataset that covers multiple scenarios and tool-use patterns. We evaluate models at the step, sub-task, and task levels, and introduce efficiency-oriented metrics to measure task coordination and completion efficiency. Extensive experiments show that delayed tool feedback poses substantial challenges to current agents and leads to clear performance degradation. Models that better coordinate task switching, dependency tracking, and state maintenance achieve stronger performance on AsyncTool. Our analysis identifies key failure modes of current tool-using agents and provides practical insights for designing future systems with stronger temporal reasoning and coordination 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

LLM-based agents are rapidly advancing, autonomously invoking external tools to complete multi-step tasks for users. However, agents often acquire more sensitive information than the task requires. Existing privacy benchmarks audit what the agent's response or outgoing actions disclose, but overlook the acquisition stage where data first enters the agent's context. The over-acquired information is then one careless action or one attack away from an outright leak. To assess its prevalence, we introduce PrivacyPeek, a benchmark for evaluating acquisition-stage privacy leakage of LLM-based agents, with 1{,}182 cases across 7 acquisition behaviours and 16 application domains. Specifically, Acquisition Inspection examines the agent's tool-call trajectory, both the tools it invokes and the data it receives, to detect when it acquires sensitive information beyond the task scope. Probe Elicitation then issues a follow-up probe and measures how readily an attacker could elicit sensitive information the agent acquired but did not disclose. Our experiments on 10 LLM-based agents across 4 model families show that the unnecessary acquisition of sensitive information is widespread. In addition, we observe a correlation between the task-completion capability and acquisition-stage leakage. Prompt-level defences reduce only a small fraction of acquisition-stage leakage, leaving the majority unmitigated. These results make auditing acquisition-stage privacy both urgent and necessary. Our dataset and code are available at https://github.com/Xuan269/PrivacyPeek-Resource.

This paper presents a novel model protection paradigm ModelLock that locks (destroys) the performance of a model on normal clean data so as to make it unusable or unextractable without the right key. Specifically, we proposed a diffusion-based framework dubbed ModelLock that explores text-guided image editing to transform the training data into unique styles or add new objects in the background. A model finetuned on this edited dataset will be locked and can only be unlocked by the key prompt, i.e., the text prompt used to transform the data. We conduct extensive experiments on both image classification and segmentation tasks, and show that 1) ModelLock can effectively lock the finetuned models without significantly reducing the expected performance, and more importantly, 2) the locked model cannot be easily unlocked without knowing both the key prompt and the diffusion model. Our work opens up a new direction for intellectual property protection of private models.

Tool Calling and Structured Output are two core capabilities of modern Agent systems, yet their interaction under joint deployment conditions remains insufficiently understood. This paper reports a reproducible phenomenon observed in a production Agent system: when Tool Calling and JSON Schema constraints are simultaneously enabled, multiple open-weight models cease invoking tools despite maintaining high schema compliance. We refer to this behavior as Tool Suppression. Through controlled experiments across multiple model families and deployment settings, we consistently reproduce Tool Suppression under joint constraints, while tool execution and schema compliance remain functional when evaluated independently. Further analysis reveals that JSON Schema constraints are compiled into grammar-based token masks, causing tool-call tokens to become unreachable during decoding. This provides an implementation-level explanation for the observed behavior. To interpret the phenomenon, we formulate the Constraint Priority Inversion (CPI) hypothesis, which suggests that schema satisfaction may dominate action-selection behavior under multiple simultaneous constraints. We present CPI as a behavioral hypothesis consistent with the observed evidence rather than a verified internal mechanism. To mitigate the problem, we propose Transparent Two-Pass Execution, an inference-time strategy that decouples tool execution from schema-constrained response generation. Experimental results show that this approach restores tool invocation while preserving structured output guarantees without requiring model retraining. These findings suggest that evaluating tool use and structured output separately may overlook important reliability issues in production Agent systems. Code, data, and docs will be released at https://github.com/Fzsama/Constrain-Tax-26-06.git.

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.

Deep research agents integrate fragmented evidence through multi-step tool use. BrowseComp offers a text-only testbed for such agents, but existing multimodal benchmarks rarely require both weak visual cues composition and BrowseComp-style multi-hop verification. Geolocation is a natural testbed because answers depend on combining multiple ambiguous visual cues and validating them with open-web evidence. Thus, we introduce GeoBrowse, a geolocation benchmark that combines visual reasoning with knowledge-intensive multi-hop queries. Level 1 tests extracting and composing fragmented visual cues, and Level 2 increases query difficulty by injecting long-tail knowledge and obfuscating key entities. To support evaluation, we provide an agentic workflow GATE with five think-with-image tools and four knowledge-intensive tools, and release expert-annotated stepwise traces grounded in verifiable evidence for trajectory-level analysis. Experiments show that GATE outperforms direct inference and open-source agents, indicating that no-tool, search-only or image-only setups are insufficient. Gains come from coherent, level-specific tool-use plans rather than more tool calls, as they more reliably reach annotated key evidence steps and make fewer errors when integrating into the final decision. The GeoBrowse bernchmark and codes are provided in https://github.com/ornamentt/GeoBrowse

Prior work synthesizes tool-use LLM datasets by first generating a user query, followed by complex tool-use annotations like depth-first search (DFS). This leads to inevitable annotation failures and low efficiency in data generation. We introduce ToolGrad, an agentic framework that inverts this paradigm. ToolGrad first constructs valid tool-use chains through an iterative process guided by textual "gradients", and then synthesizes corresponding user queries. This "answer-first" approach led to ToolGrad-500, a dataset generated with more complex tool use, lower cost, and almost 100% pass rate. Experiments show that ToolGrad models outperform those trained on expensive baseline datasets and proprietary LLMs. The ToolGrad source code, dataset, and models are available at https://github.com/zhongyi-zhou/toolgrad.

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

Research on self-evolving language agents has accelerated, drawing increasing attention to their ability to create, adapt, and maintain tools from task requirements. However, existing benchmarks predominantly rely on predefined specifications, which limits scalability and hinders truly autonomous evolution. While recent studies attempt to dynamically generate tools, they primarily emphasize downstream performance, resulting in a "black-box" evaluation that makes it difficult to attribute failures to specific causes. To address this, we propose Tool-Genesis, a diagnostic benchmark designed to quantify agent capabilities across multiple dimensions, including interface compliance, functional correctness, and downstream utility. Tool-Genesis evaluates whether agents can construct task-relevant tools solely from abstract requirements (without preset specifications) and use them to solve realistic problems. Crucially, we find that even state-of-the-art models struggle to produce precise tool interfaces or executable logic in a one-shot setting. These minor initial flaws are amplified through the pipeline, leading to a sharp degradation in downstream metrics. We hope Tool-Genesis will guide future research toward training and steering models to synthesize persistent, general-purpose tools that better address real-world challenges.

The ability to use, understand, and create tools is a hallmark of human intelligence, enabling sophisticated interaction with the physical world. For any general-purpose intelligent agent to achieve true versatility, it must also master these fundamental skills. While modern Multimodal Large Language Models (MLLMs) leverage their extensive common knowledge for high-level planning in embodied AI and in downstream Vision-Language-Action (VLA) models, the extent of their true understanding of physical tools remains unquantified. To bridge this gap, we present PhysToolBench, the first benchmark dedicated to evaluating the comprehension of physical tools by MLLMs. Our benchmark is structured as a Visual Question Answering (VQA) dataset comprising over 1,000 image-text pairs. It assesses capabilities across three distinct difficulty levels: (1) Tool Recognition: Requiring the recognition of a tool's primary function. (2) Tool Understanding: Testing the ability to grasp the underlying principles of a tool's operation. (3) Tool Creation: Challenging the model to fashion a new tool from surrounding objects when conventional options are unavailable. Our comprehensive evaluation of 32 MLLMs-spanning proprietary, open-source, specialized embodied, and backbones in VLAs-reveals a significant deficiency in tool understanding. Furthermore, we provide an in-depth analysis and propose preliminary solutions. Code and dataset are publicly available.

Training reliable tool-augmented agents remains a significant challenge, largely due to the difficulty of credit assignment in multi-step reasoning. While process-level reward models offer a promising direction, existing LLM-based judges often produce noisy and inconsistent signals because they lack fine-grained, task-specific rubrics to distinguish high-level planning from low-level execution. In this work, we introduce SCRIBE (Skill-Conditioned Reward with Intermediate Behavioral Evaluation), a reinforcement learning framework that intervenes at a novel mid-level abstraction. SCRIBE grounds reward modeling in a curated library of skill prototypes, transforming open-ended LLM evaluation into a constrained verification problem. By routing each subgoal to a corresponding prototype, the reward model is equipped with precise, structured rubrics that substantially reduce reward variance. Experimental results show that SCRIBE achieves state-of-the-art performance across a range of reasoning and tool-use benchmarks. In particular, it improves the AIME25 accuracy of a Qwen3-4B model from 43.3% to 63.3%, and significantly increases success rates in complex multi-turn tool interactions. Further analysis of training dynamics reveals a co-evolution across abstraction levels, where mastery of mid-level skills consistently precedes the emergence of effective high-level planning behaviors. Finally, we demonstrate that SCRIBE is additive to low-level tool optimizations, providing a scalable and complementary pathway toward more autonomous and reliable tool-using agents.

Currently, the vast majority of locally deployed open-source large language models (LLMs) and some commercial model interfaces do not support stable tool calling functionality. The existing solution involves fine-tuning LLMs, which results in significant time and computational resource consumption. This paper proposes a method that enables LLMs to achieve stable tool calling capabilities using only prompt engineering and some ingenious code design. We conducted experiments on multiple LLMs that lack tool calling capabilities across various tool calling tasks, achieving a success rate of 100%.

Exploitation is not a binary event. It is a ladder of acquiring progressive capabilities, from executing a single buggy line of code to taking full control of the target. However, existing LLM security benchmarks treat a crash as exploitation success. That single binary outcome collapses the hard parts of exploitation: the transition from triggering a bug to constructing reusable primitives and control. We present ExploitBench, a capability-graded benchmark that decomposes exploitation into 16 measurable flags, from coverage and crash through sandbox primitives, arbitrary read/write, control-flow hijack, and arbitrary code execution. Each capability is verified by a deterministic oracle that uses a per-run randomized challenge-response for primitives, differential execution against ground-truth binaries to measure progress, and a signal-handler proof for code execution. We instantiate ExploitBench on 41 V8 bugs because V8 is both widely deployed and exploitation-hardened. We report three arms: <model,env> as the primary measurement of model-environment capability, <model,env, adaptive coaching> as a secondary arm that adds adaptive coaching to test whether targeted feedback shifts outcomes, and <model,env,harness> as an ablation that swaps in the model's native CLI to check whether vendor-side optimizations increase exploitation capabilities. Our results show a sharp capability split between publicly deployed frontier models and the private frontier. Across the 8 publicly deployed models tested, reaching the vulnerable code and triggering a crash is routine, but arbitrary code execution is not. The private model shows arbitrary code execution on approximately half. Overall, results suggest that exploit construction against hardened targets is an emerging frontier capability.

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

The ability to use tools is fundamental for large language model (LLM) agents. Given a task, existing systems use LLMs to plan and generate tool calls, which are executed by real-world tools to complete the task. However, tool calls are prone to errors because they are derived merely from LLM intrinsic capabilities. What is more, while it is useful to let LLMs iteratively refine the tool-call sequence using execution results from real tools, this process can be expensive and lead to unsafe results. To improve LLM tool calls and address issues caused by using real tools for refinement, we introduce Gecko, a comprehensive environment that simulates tool responses using a combination of rules and LLMs. Specifically, Gecko checks the validity of tool calls including input arguments and tool names, synthesizes reasonable responses that adhere to the output schema, and assesses whether all task objectives have been achieved. These three types of feedback provided by Gecko allow LLMs to refine their tool calls, forming a simple yet effective test-time scaling method named GATS. On BFCLv3 and τ^2-bench, GATS consistently improves the tool calling performance of various LLMs including GPT-4o, GPT-5, and Gemini-3.0-pro. We further discuss working mechanisms of our method and share future possibilities.

Tool-using agents based on Large Language Models (LLMs) excel in tasks such as mathematical reasoning and multi-hop question answering. However, in long trajectories, agents often trigger excessive and low-quality tool calls, increasing latency and degrading inference performance, making managing tool-use behavior challenging. In this work, we conduct entropy-based pilot experiments and observe a strong positive correlation between entropy reduction and high-quality tool calls. Building on this finding, we propose using entropy reduction as a supervisory signal and design two reward strategies to address the differing needs of optimizing tool-use behavior. Sparse outcome rewards provide coarse, trajectory-level guidance to improve efficiency, while dense process rewards offer fine-grained supervision to enhance performance. Experiments across diverse domains show that both reward designs improve tool-use behavior: the former reduces tool calls by 72.07% compared to the average of baselines, while the latter improves performance by 22.27%. These results position entropy reduction as a key mechanism for enhancing tool-use behavior, enabling agents to be more adaptive in real-world applications.

Automating penetration testing is crucial for enhancing cybersecurity, yet current Large Language Models (LLMs) face significant limitations in this domain, including poor error handling, inefficient reasoning, and an inability to perform complex end-to-end tasks autonomously. To address these challenges, we introduce Pentest-R1, a novel framework designed to optimize LLM reasoning capabilities for this task through a two-stage reinforcement learning pipeline. We first construct a dataset of over 500 real-world, multi-step walkthroughs, which Pentest-R1 leverages for offline reinforcement learning (RL) to instill foundational attack logic. Subsequently, the LLM is fine-tuned via online RL in an interactive Capture The Flag (CTF) environment, where it learns directly from environmental feedback to develop robust error self-correction and adaptive strategies. Our extensive experiments on the Cybench and AutoPenBench benchmarks demonstrate the framework's effectiveness. On AutoPenBench, Pentest-R1 achieves a 24.2\% success rate, surpassing most state-of-the-art models and ranking second only to Gemini 2.5 Flash. On Cybench, it attains a 15.0\% success rate in unguided tasks, establishing a new state-of-the-art for open-source LLMs and matching the performance of top proprietary models. Ablation studies confirm that the synergy of both training stages is critical to its success.

Vision tool-use reinforcement learning (RL) can equip vision-language models with visual operators such as crop-and-zoom and achieves strong performance gains, yet it remains unclear whether these gains are driven by improvements in tool use or evolving intrinsic capabilities.We introduce MED (Measure-Explain-Diagnose), a coarse-to-fine framework that disentangles intrinsic capability changes from tool-induced effects, decomposes the tool-induced performance difference into gain and harm terms, and probes the mechanisms driving their evolution. Across checkpoint-level analyses on two VLMs with different tool priors and six benchmarks, we find that improvements are dominated by intrinsic learning, while tool-use RL mainly reduces tool-induced harm (e.g., fewer call-induced errors and weaker tool schema interference) and yields limited progress in tool-based correction of intrinsic failures. Overall, current vision tool-use RL learns to coexist safely with tools rather than master them.

Tool learning enables Large Language Models (LLMs) to interact with external environments by invoking tools, serving as an effective strategy to mitigate the limitations inherent in their pre-training data. In this process, tool documentation plays a crucial role by providing usage instructions for LLMs, thereby facilitating effective tool utilization. This paper concentrates on the critical challenge of bridging the comprehension gap between LLMs and external tools due to the inadequacies and inaccuracies inherent in existing human-centric tool documentation. We propose a novel framework, DRAFT, aimed at Dynamically Refining tool documentation through the Analysis of Feedback and Trails emanating from LLMs' interactions with external tools. This methodology pivots on an innovative trial-and-error approach, consisting of three distinct learning phases: experience gathering, learning from experience, and documentation rewriting, to iteratively enhance the tool documentation. This process is further optimized by implementing a diversity-promoting exploration strategy to ensure explorative diversity and a tool-adaptive termination mechanism to prevent overfitting while enhancing efficiency. Extensive experiments on multiple datasets demonstrate that DRAFT's iterative, feedback-based refinement significantly ameliorates documentation quality, fostering a deeper comprehension and more effective utilization of tools by LLMs. Notably, our analysis reveals that the tool documentation refined via our approach demonstrates robust cross-model generalization capabilities.

With the success of large language models (LLMs) of code and their use as code assistants (e.g. Codex used in GitHub Copilot), techniques for introducing domain-specific knowledge in the prompt design process become important. In this work, we propose a framework called Repo-Level Prompt Generator that learns to generate example-specific prompts using prompt proposals. The prompt proposals take context from the entire repository, thereby incorporating both the structure of the repository and the context from other relevant files (e.g. imports, parent class files). Our technique doesn't require any access to the weights of the LLM, making it applicable in cases where we only have black-box access to the LLM. We conduct experiments on the task of single-line code-autocompletion using code repositories taken from Google Code archives. We demonstrate that an oracle constructed from our prompt proposals gives a remarkably high relative improvement of 36% over Codex, showing the quality of these proposals. Further, we show that when we train a model to predict a prompt proposal, we can achieve significant performance gains over Codex and other baselines. We release our code, data, and trained checkpoints at: https://github.com/shrivastavadisha/repo_level_prompt_generation.

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.

Large language model (LLM)-based agents increasingly rely on tool use to complete real-world tasks. While existing works evaluate the LLMs' tool use capability, they largely focus on the final answers yet overlook the detailed tool usage trajectory, i.e., whether tools are selected, parameterized, and ordered correctly. We introduce TRAJECT-Bench, a trajectory-aware benchmark to comprehensively evaluate LLMs' tool use capability through diverse tasks with fine-grained evaluation metrics. TRAJECT-Bench pairs high-fidelity, executable tools across practical domains with tasks grounded in production-style APIs, and synthesizes trajectories that vary in breadth (parallel calls) and depth (interdependent chains). Besides final accuracy, TRAJECT-Bench also reports trajectory-level diagnostics, including tool selection and argument correctness, and dependency/order satisfaction. Analyses reveal failure modes such as similar tool confusion and parameter-blind selection, and scaling behavior with tool diversity and trajectory length where the bottleneck of transiting from short to mid-length trajectories is revealed, offering actionable guidance for LLMs' tool use.

Large language models (LLMs) can now access a wide range of external tools, thanks to the Model Context Protocol (MCP). This greatly expands their abilities as various agents. However, LLMs rely entirely on the text descriptions of tools to decide which ones to use--a process that is surprisingly fragile. In this work, we expose a vulnerability in prevalent tool/function-calling protocols by investigating a series of edits to tool descriptions, some of which can drastically increase a tool's usage from LLMs when competing with alternatives. Through controlled experiments, we show that tools with properly edited descriptions receive over 10 times more usage from GPT-4.1 and Qwen2.5-7B than tools with original descriptions. We further evaluate how various edits to tool descriptions perform when competing directly with one another and how these trends generalize or differ across a broader set of 10 different models. These phenomenons, while giving developers a powerful way to promote their tools, underscore the need for a more reliable foundation for agentic LLMs to select and utilize tools and resources.

Large language models are increasingly used to power personal agents for everyday applications, but evaluating these agents remains a challenge. Existing benchmarks still rely on sandboxed artifacts, static task design, and coarse scoring, which hinder scalability and limit progress toward reliable personal-agent evaluation. This paper introduces STAGE-Claw, an automated framework for building and evaluating realistic personal-agent scenarios in state-based personal-computing environments. Given a task hint, STAGE-Claw automatically creates and validates a realistic benchmark task with its environment, task prompts, ground truth, and related verification programs. Agents are then evaluated in realistic operating environments, where performance is measured by the correctness of the final system state rather than only the textual response. Using STAGE-Claw, this paper creates a benchmark with 40 challenging real scenario agent tasks, evaluates 11 frontier models, and analyzes their task scores, costs, tool-call reliability, and common failure patterns. Overall, STAGE-Claw offers a scalable, state-based way to evaluate agents in realistic user scenarios.

Large language models deployed as agents over large tool catalogs face a critical tool-retrieval bottleneck. As embedding-based retrieval approaches rely on compact encoders that may under-capture specialized tool semantics, parametric tool retrieval addresses this by encoding each tool as a virtual token appended to the LLM vocabulary, fine-tuned in two stages (memorization then retrieval SFT) to use the LLM as a retriever, achieving strong performance on standard ToolBench retrieval benchmarks. Yet these benchmarks use verbose, fully-specified queries, and their evaluation applies constrained decoding that restricts outputs to valid token paths, neither reveals whether the model actually understands its tools. We introduce ToolSense, an open-source LLM-powered diagnostic framework that takes any tool catalog as input and automatically generates three benchmarks: a Realistic Retrieval Benchmark (RRB) with queries at three ambiguity tiers, an MCQ probing benchmark, and a QA probing benchmark. Applying ToolSense to ToolBench (~47k tools) and evaluating five parametric model training configurations reveals a knowledge-retrieval dissociation: on RRB queries, several configurations collapse by ~50-64 percentage points compared to fully-specified ToolBench benchmarks, falling below the embedding-model baseline. Additionally, despite strong retrieval performance, some models score near-random on factual probes, suggesting a knowledge-retrieval dissociation. We open-source the ToolSense framework and the ToolBench diagnostic benchmarks at https://github.com/SAP/toolsense.

Existing benchmarks evaluate Tool-Integrated Reasoning (TIR) in LLMs on idealized ''happy paths'', largely overlooking real-world tool failures. We introduce ToolMaze, a benchmark for dynamic path discovery and error recovery in TIR agents. To separate systematic replanning from blind trial-and-error, ToolMaze adopts a two-dimensional design: DAG-based topological complexity and a 2 times 2 taxonomy of tool perturbations (explicit/implicit, transient/permanent). Evaluations show that perturbations degrade performance across nearly all models, with the sharpest drops under implicit semantic failures. Driven by systemic over-trust in corrupted outputs, Perturbation Recovery Rate (PRR) plummets by around 37\% in these scenarios, while complex topologies trap agents in futile trial-and-error loops. Crucially, agentic fault-tolerance improves with model scale 3.66times slower than basic task execution, highlighting dynamic replanning as a distinct bottleneck unaddressed by model scaling or prompting. Data and code are available at https://github.com/Zhudongsheng75/ToolMaze.

This paper aims to efficiently enable Large Language Models (LLMs) to use multimodal tools. Advanced proprietary LLMs, such as ChatGPT and GPT-4, have shown great potential for tool usage through sophisticated prompt engineering. Nevertheless, these models typically rely on prohibitive computational costs and publicly inaccessible data. To address these challenges, we propose the GPT4Tools based on self-instruct to enable open-source LLMs, such as LLaMA and OPT, to use tools. It generates an instruction-following dataset by prompting an advanced teacher with various multi-modal contexts. By using the Low-Rank Adaptation (LoRA) optimization, our approach facilitates the open-source LLMs to solve a range of visual problems, including visual comprehension and image generation. Moreover, we provide a benchmark to evaluate the ability of LLMs to use tools, which is performed in both zero-shot and fine-tuning ways. Extensive experiments demonstrate the effectiveness of our method on various language models, which not only significantly improves the accuracy of invoking seen tools, but also enables the zero-shot capacity for unseen tools. The code and demo are available at https://github.com/StevenGrove/GPT4Tools.

Large Language Models (LLMs) have recently demonstrated strong capabilities in tool use, yet progress in tool retrieval remains hindered by incomplete and heterogeneous tool documentation. To address this challenge, we introduce Tool-DE, a new benchmark and framework that systematically enriches tool documentation with structured fields to enable more effective tool retrieval, together with two dedicated models, Tool-Embed and Tool-Rank. We design a scalable document expansion pipeline that leverages both open- and closed-source LLMs to generate, validate, and refine enriched tool profiles at low cost, producing large-scale corpora with 50k instances for embedding-based retrievers and 200k for rerankers. On top of this data, we develop two models specifically tailored for tool retrieval: Tool-Embed, a dense retriever, and Tool-Rank, an LLM-based reranker. Extensive experiments on ToolRet and Tool-DE demonstrate that document expansion substantially improves retrieval performance, with Tool-Embed and Tool-Rank achieving new state-of-the-art results on both benchmarks. We further analyze the contribution of individual fields to retrieval effectiveness, as well as the broader impact of document expansion on both training and evaluation. Overall, our findings highlight both the promise and limitations of LLM-driven document expansion, positioning Tool-DE, along with the proposed Tool-Embed and Tool-Rank, as a foundation for future research in tool retrieval.

Recent advances in few-step diffusion models have demonstrated their efficiency and effectiveness by shortcutting the probabilistic paths of diffusion models, especially in training one-step diffusion models from scratch (a.k.a. shortcut models). However, their theoretical derivation and practical implementation are often closely coupled, which obscures the design space. To address this, we propose a common design framework for representative shortcut models. This framework provides theoretical justification for their validity and disentangles concrete component-level choices, thereby enabling systematic identification of improvements. With our proposed improvements, the resulting one-step model achieves a new state-of-the-art FID50k of 2.85 on ImageNet-256x256 under the classifier-free guidance setting with one step generation, and further reaches FID50k of 2.53 with 2x training steps. Remarkably, the model requires no pre-training, distillation, or curriculum learning. We believe our work lowers the barrier to component-level innovation in shortcut models and facilitates principled exploration of their design space.

Tools serve as pivotal interfaces that enable humans to understand and reshape the world. With the advent of foundational models, AI systems can utilize tools to expand their capabilities and interact with the world. Existing tool learning methodologies, encompassing supervised fine-tuning and prompt engineering approaches, often induce language models to utilize tools indiscriminately, as complex problems often exceed their own competencies. However, introducing tools for simple tasks, which the models themselves can readily resolve, can inadvertently propagate errors rather than enhance performance. This leads to the research question: can we teach language models when and how to use tools? To meet this need, we propose Tool leaRning wIth exeCution fEedback (TRICE), a two-stage end-to-end framework that enables the model to continually learn through feedback derived from tool execution, thereby learning when and how to use tools effectively. Experimental results, backed by further analysis, show that TRICE can make the language model to selectively use tools by decreasing the model's dependency on tools while enhancing the performance. Code and datasets will be available in https://github.com/zjunlp/trice.

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to solving complex problems. However, traditional methods, which finetune LLMs with tool demonstration data, can be both costly and restricted to a predefined set of tools. Recent in-context learning paradigm alleviates these issues, but the limited context length only allows for a few shots of demonstrations, leading to suboptimal understandings of the tools. Moreover, when there are numerous tools to choose from, in-context learning could completely fail to work. In this paper, we propose an alternative approach, ToolkenGPT, which combines the benefits of both sides. Our approach represents each tool as a token (toolken) and learns an embedding for it, enabling tool calls in the same way as generating a regular word token. Once a toolken is triggered, the LLM is prompted to complete arguments for the tool to execute. ToolkenGPT offers the flexibility to plug in an arbitrary number of tools by expanding the set of toolkens on the fly. In addition, it improves tool use by allowing extensive demonstration data for learning the toolken embeddings. In diverse domains, including numerical reasoning, knowledge-based question answering, and embodied plan generation, our approach effectively augments LLMs with tools and substantially outperforms various latest baselines. ToolkenGPT demonstrates the promising ability to use relevant tools from a large tool set in complex scenarios.

When humans face problems beyond their immediate capabilities, they rely on tools, providing a promising paradigm for improving visual reasoning in multimodal large language models (MLLMs). Effective reasoning, therefore, hinges on knowing which tools to use, when to invoke them, and how to compose them over multiple steps, even when faced with new tools or new tasks. We introduce AdaReasoner, a family of multimodal models that learn tool use as a general reasoning skill rather than as tool-specific or explicitly supervised behavior. AdaReasoner is enabled by (i) a scalable data curation pipeline exposing models to long-horizon, multi-step tool interactions; (ii) Tool-GRPO, a reinforcement learning algorithm that optimizes tool selection and sequencing based on end-task success; and (iii) an adaptive learning mechanism that dynamically regulates tool usage. Together, these components allow models to infer tool utility from task context and intermediate outcomes, enabling coordination of multiple tools and generalization to unseen tools. Empirically, AdaReasoner exhibits strong tool-adaptive and generalization behaviors: it autonomously adopts beneficial tools, suppresses irrelevant ones, and adjusts tool usage frequency based on task demands, despite never being explicitly trained to do so. These capabilities translate into state-of-the-art performance across challenging benchmarks, improving the 7B base model by +24.9\% on average and surpassing strong proprietary systems such as GPT-5 on multiple tasks, including VSP and Jigsaw.

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.

Prompt engineering is very important to enhance the performance of large language models (LLMs). When dealing with complex issues, prompt engineers tend to distill multiple patterns from examples and inject relevant solutions to optimize the prompts, achieving satisfying results. However, existing automatic prompt optimization techniques are only limited to producing single flow instructions, struggling with handling diverse patterns. In this paper, we present AMPO, an automatic prompt optimization method that can iteratively develop a multi-branched prompt using failure cases as feedback. Our goal is to explore a novel way of structuring prompts with multi-branches to better handle multiple patterns in complex tasks, for which we introduce three modules: Pattern Recognition, Branch Adjustment, and Branch Pruning. In experiments across five tasks, AMPO consistently achieves the best results. Additionally, our approach demonstrates significant optimization efficiency due to our adoption of a minimal search strategy.

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

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.

The Model Context Protocol (MCP) introduces a standard specification that defines how Foundation Model (FM)-based agents should interact with external systems by invoking tools. However, to understand a tool's purpose and features, FMs rely on natural-language tool descriptions, making these descriptions a critical component in guiding FMs to select the optimal tool for a given (sub)task and to pass the right arguments to the tool. While defects or smells in these descriptions can misguide FM-based agents, their prevalence and consequences in the MCP ecosystem remain unclear. Hence, we examine 856 tools spread across 103 MCP servers empirically, assess their description quality, and their impact on agent performance. We identify six components of tool descriptions from the literature, develop a scoring rubric utilizing these components, and then formalize tool description smells based on this rubric. By operationalizing this rubric through an FM-based scanner, we find that 97.1% of the analyzed tool descriptions contain at least one smell, with 56% failing to state their purpose clearly. While augmenting these descriptions for all components improves task success rates by a median of 5.85 percentage points and improves partial goal completion by 15.12%, it also increases the number of execution steps by 67.46% and regresses performance in 16.67% of cases. These results indicate that achieving performance gains is not straightforward; while execution cost can act as a trade-off, execution context can also impact. Furthermore, component ablations show that compact variants of different component combinations often preserve behavioral reliability while reducing unnecessary token overhead, enabling more efficient use of the FM context window and lower execution costs.

Prompt leakage poses a compelling security and privacy threat in LLM applications. Leakage of system prompts may compromise intellectual property, and act as adversarial reconnaissance for an attacker. A systematic evaluation of prompt leakage threats and mitigation strategies is lacking, especially for multi-turn LLM interactions. In this paper, we systematically investigate LLM vulnerabilities against prompt leakage for 10 closed- and open-source LLMs, across four domains. We design a unique threat model which leverages the LLM sycophancy effect and elevates the average attack success rate (ASR) from 17.7% to 86.2% in a multi-turn setting. Our standardized setup further allows dissecting leakage of specific prompt contents such as task instructions and knowledge documents. We measure the mitigation effect of 7 black-box defense strategies, along with finetuning an open-source model to defend against leakage attempts. We present different combination of defenses against our threat model, including a cost analysis. Our study highlights key takeaways for building secure LLM applications and provides directions for research in multi-turn LLM interactions

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.

Large language models are increasingly deployed as agents that solve tasks by interacting with external tool environments. Although recent tool-use benchmarks increasingly cover complex task settings, they still largely assume clean, stable, and trustworthy tool environments, leaving tool-environment unreliability insufficiently examined. We introduce ToolBench-X, a benchmark for evaluating agents under recoverable reliability hazards. ToolBench-X contains executable multi-step tasks across diverse domains and sequential, parallel, and mixed workflows, each paired with deterministic tools and a canonical final answer for automatic evaluation. Starting from clean tool environments, ToolBench-X injects five structured hazard types: Specification Drift, Invocation Error, Execution Failure, Output Drift, and Cross-source Conflict. Crucially, each injected instance remains solvable through at least one valid recovery path, such as retrying, fallback, verification, or cross-checking. Experiments reveal a substantial reliability gap: agents that perform well with reliable tools often fail under recoverable hazards. Further analysis shows that failures are driven less by tool-use volume or inference budget than by limited hazard diagnosis and ineffective recovery. Targeted recovery hints recover many failed tasks, while test-time scaling yields more limited gains. These results suggest that tool-use evaluation should move beyond function-call accuracy toward task completion under unreliable tool environments. The code and data is available at https://github.com/Foreverskyou/ToolBench-X.

Tool-calling is a central component of modern large language model (LLM) agents, equipping them with skills beyond their parametric knowledge. This paper studies tool-calling along two complementary axes: effectiveness, i.e., how this capability is measured, and efficiency, i.e., how it is learned. On effectiveness, we systematically analyze tool-calling evaluation pipelines and show that results can be highly sensitive to seemingly minor, often undocumented implementation choices including the random seed, system prompt, multi-turn template construction, and how prior interaction/reasoning history is carried forward. These choices can lead to substantial differences in reported performance, especially in multi-turn settings where without rigorous standardization, leaderboard rankings are unreliable. On efficiency, we examine standard reinforcement learning (RL) for tool-calling and identify two sources of computational waste: (i) during rollouts, many prompts produce no learning signal, and (ii) during policy updates, optimization incurs high computational cost. Guided by these findings, we introduce two techniques that accelerate RL-based tool-calling training, achieving substantial wall-clock speedup without degrading performance.