Daily Papers

Integrating tools into Large Language Models (LLMs) has facilitated the widespread application. Despite this, in specialized downstream task contexts, reliance solely on tools is insufficient to fully address the complexities of the real world. This particularly restricts the effective deployment of LLMs in fields such as medicine. In this paper, we focus on the downstream tasks of medical calculators, which use standardized tests to assess an individual's health status. We introduce MeNTi, a universal agent architecture for LLMs. MeNTi integrates a specialized medical toolkit and employs meta-tool and nested calling mechanisms to enhance LLM tool utilization. Specifically, it achieves flexible tool selection and nested tool calling to address practical issues faced in intricate medical scenarios, including calculator selection, slot filling, and unit conversion. To assess the capabilities of LLMs for quantitative assessment throughout the clinical process of calculator scenarios, we introduce CalcQA. This benchmark requires LLMs to use medical calculators to perform calculations and assess patient health status. CalcQA is constructed by professional physicians and includes 100 case-calculator pairs, complemented by a toolkit of 281 medical tools. The experimental results demonstrate significant performance improvements with our framework. This research paves new directions for applying LLMs in demanding scenarios of medicine.

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

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.

Web-based 'deep research' agents aim to solve complex question - answering tasks through long-horizon interactions with online tools. These tasks remain challenging, as the underlying language models are often not optimized for long-horizon reasoning and exploration. Prior work has proposed workflows for constructing instruction-tuning datasets, often leveraging knowledge graphs. However, such methods typically lack fine-grained control over difficulty and quality, yielding synthetic data that falls short of capturing the complexity required for long-horizon reasoning. Furthermore, many studies conflate data and training effects by comparing models trained under different optimization recipes, making it difficult to isolate and evaluate the effectiveness of the data itself. We introduce a two-pronged data synthesis pipeline that generates question - answer pairs by progressively increasing task complexity until a frontier baseline web agent fails. The baseline agent plays multiple roles in this process: attempting the questions, validating factuality, checking for alternative answers, and enforcing filtering. To evaluate the effectiveness of our synthesis methods, we adopt a controlled training setup based on distillation from strong web agents. Experiments across multiple web-based benchmarks show that our dataset - despite being smaller - enables the training of more effective web agents than existing datasets. In particular, our data exhibits twice the diversity in tool-use actions, allowing models trained on it to achieve stronger performance while avoiding repetitive tool-calling behaviors.

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.

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

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.

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

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.

Function calling significantly extends the application boundary of large language models, where high-quality and diverse training data is critical for unlocking this capability. However, real function-calling data is quite challenging to collect and annotate, while synthetic data generated by existing pipelines tends to lack coverage and accuracy. In this paper, we present ToolACE, an automatic agentic pipeline designed to generate accurate, complex, and diverse tool-learning data. ToolACE leverages a novel self-evolution synthesis process to curate a comprehensive API pool of 26,507 diverse APIs. Dialogs are further generated through the interplay among multiple agents, guided by a formalized thinking process. To ensure data accuracy, we implement a dual-layer verification system combining rule-based and model-based checks. We demonstrate that models trained on our synthesized data, even with only 8B parameters, achieve state-of-the-art performance on the Berkeley Function-Calling Leaderboard, rivaling the latest GPT-4 models. Our model and a subset of the data are publicly available at https://huggingface.co/Team-ACE.

The deployment of Large Language Models (LLMs) as agentic orchestrators has revolutionized task automation, but the need for privacy-preserving, cost-effective solutions demands on-device inference capabilities. However, local LLMs consistently underperform compared to frontier models in tool calling scenarios, struggling with both tool selection from large tool sets and accurate argument generation for complex parameter structures. We introduce a methodology that disaggregates a tool-calling task into two distinct subtasks: tool selection and argument generation. We propose "decoupled fine-tuning", a novel post-training approach that employs LoRA fine-tuning to create dedicated LoRA adapters for tool selection and tool-specific argument generation using separate loss masking for each of the subtasks. Furthermore, we present DualTune, an inference framework that leverages the LoRA adapters created using decoupled fine-tuning to perform efficient agent orchestration with the help of local models on end-user devices. DualTune decomposes the tool-call generation step into tool selection and argument generation, and dynamically loads the corresponding LoRA adapters to generate tool calls. Additionally, DualTune implements hierarchical orchestration to restrict the number of tools required for tool selection. Our experiments on the MCP-Bench benchmark demonstrate that the Qwen-2.5-7B model trained using decoupled fine-tuning improves the tool calling accuracy of the base model by 46%, and outperforms other local reasoning, non-reasoning and fine-tuned models of similar size in all cases, and models that are 2x larger, in most cases.

While enabling large language models to implement function calling (known as APIs) can greatly enhance the performance of LLMs, function calling is still a challenging task due to the complicated relations between different APIs, especially in a context-learning setting without fine-tuning. This paper proposes a simple yet controllable target-driven approach called Reverse Chain to empower LLMs with capabilities to use external APIs with only prompts. Given that most open-source LLMs have limited tool-use or tool-plan capabilities, LLMs in Reverse Chain are only employed to implement simple tasks, e.g., API selection and argument completion, and a generic rule is employed to implement a controllable multiple functions calling. In this generic rule, after selecting a final API to handle a given task via LLMs, we first ask LLMs to fill the required arguments from user query and context. Some missing arguments could be further completed by letting LLMs select another API based on API description before asking user. This process continues until a given task is completed. Extensive numerical experiments indicate an impressive capability of Reverse Chain on implementing multiple function calling. Interestingly enough, the experiments also reveal that tool-use capabilities of the existing LLMs, e.g., ChatGPT, can be greatly improved via Reverse Chain.

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 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 reasoning models have demonstrated strong problem-solving abilities, yet real-world tasks often require external tools and long-horizon interactions. Existing agent frameworks typically follow predefined workflows, which limit autonomous and global task completion. In this paper, we introduce DeepAgent, an end-to-end deep reasoning agent that performs autonomous thinking, tool discovery, and action execution within a single, coherent reasoning process. To address the challenges of long-horizon interactions, particularly the context length explosion from multiple tool calls and the accumulation of interaction history, we introduce an autonomous memory folding mechanism that compresses past interactions into structured episodic, working, and tool memories, reducing error accumulation while preserving critical information. To teach general-purpose tool use efficiently and stably, we develop an end-to-end reinforcement learning strategy, namely ToolPO, that leverages LLM-simulated APIs and applies tool-call advantage attribution to assign fine-grained credit to the tool invocation tokens. Extensive experiments on eight benchmarks, including general tool-use tasks (ToolBench, API-Bank, TMDB, Spotify, ToolHop) and downstream applications (ALFWorld, WebShop, GAIA, HLE), demonstrate that DeepAgent consistently outperforms baselines across both labeled-tool and open-set tool retrieval scenarios. This work takes a step toward more general and capable agents for real-world applications. The code and demo are available at https://github.com/RUC-NLPIR/DeepAgent.

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.

Large language models (LLMs) have significantly advanced autonomous agents, particularly in zero-shot tool usage, also known as function calling. This research delves into enhancing the function-calling capabilities of LLMs by exploring different approaches, including prompt formats for integrating function descriptions, blending function-calling and instruction-following data, introducing a novel Decision Token for conditional prompts, leveraging chain-of-thought reasoning, and overcoming multilingual challenges with a translation pipeline. Our key findings and contributions are as follows: (1) Instruction-following data improves both function-calling accuracy and relevance detection. (2) The use of the newly proposed Decision Token, combined with synthetic non-function-call data, enhances relevance detection. (3) A tailored translation pipeline effectively overcomes multilingual limitations, demonstrating significant improvements in Traditional Chinese. These insights highlight the potential for improved function-calling capabilities and multilingual applications in LLMs.

Large language models (LLMs) have demonstrated exceptional reasoning capabilities, enabling them to solve various complex problems. Recently, this ability has been applied to the paradigm of tool learning. Tool learning involves providing examples of tool usage and their corresponding functions, allowing LLMs to formulate plans and demonstrate the process of invoking and executing each tool. LLMs can address tasks that they cannot complete independently, thereby enhancing their potential across different tasks. However, this approach faces two key challenges. First, redundant error correction leads to unstable planning and long execution time. Additionally, designing a correct plan among multiple tools is also a challenge in tool learning. To address these issues, we propose Tool-Planner, a task-processing framework based on toolkits. Tool-Planner groups tools based on the API functions with the same function into a toolkit and allows LLMs to implement planning across the various toolkits. When a tool error occurs, the language model can reselect and adjust tools based on the toolkit. Experiments show that our approach demonstrates a high pass and win rate across different datasets and optimizes the planning scheme for tool learning in models such as GPT-4 and Claude 3, showcasing the potential of our method.

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 learning, which allows Large Language Models (LLMs) to leverage external tools for solving complex user tasks, has emerged as a promising avenue for extending model capabilities. However, current approaches primarily focus on data synthesis for fine-tuning LLMs to invoke tools effectively, largely ignoring how to fully stimulate the potential of the model. In this paper, we propose ToolACE-R, a novel method that introduces adaptive self-refinement for tool invocations. Our approach features a model-aware iterative training procedure that progressively incorporates more training samples based on the model's evolving capabilities. Additionally, it allows LLMs to iteratively refine their tool calls, optimizing performance without requiring external feedback. To further enhance computational efficiency, we integrate an adaptive mechanism when scaling the inference time, enabling the model to autonomously determine when to stop the refinement process. We conduct extensive experiments across several benchmark datasets, showing that ToolACE-R achieves competitive performance compared to advanced API-based models, even without any refinement. Furthermore, its performance can be further improved efficiently through adaptive self-refinement. Our results demonstrate the effectiveness of the proposed method, which is compatible with base models of various sizes, offering a promising direction for more efficient tool learning.

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.

Large language models (LLMs) have recently shown tremendous promise in serving as the backbone to agentic systems, as demonstrated by their performance in multi-faceted, challenging benchmarks like SWE-Bench and Agent-Bench. However, to realize the true potential of LLMs as autonomous agents, they must learn to identify, call, and interact with external tools and application program interfaces (APIs) to complete complex tasks. These tasks together are termed function calling. Endowing LLMs with function calling abilities leads to a myriad of advantages, such as access to current and domain-specific information in databases and knowledge sources, and the ability to outsource tasks that can be reliably performed by tools, e.g., a Python interpreter or calculator. While there has been significant progress in function calling with LLMs, there is still a dearth of open models that perform on par with proprietary LLMs like GPT, Claude, and Gemini. Therefore, in this work, we introduce the GRANITE-20B-FUNCTIONCALLING model under an Apache 2.0 license. The model is trained using a multi-task training approach on seven fundamental tasks encompassed in function calling, those being Nested Function Calling, Function Chaining, Parallel Functions, Function Name Detection, Parameter-Value Pair Detection, Next-Best Function, and Response Generation. We present a comprehensive evaluation on multiple out-of-domain datasets comparing GRANITE-20B-FUNCTIONCALLING to more than 15 other best proprietary and open models. GRANITE-20B-FUNCTIONCALLING provides the best performance among all open models on the Berkeley Function Calling Leaderboard and fourth overall. As a result of the diverse tasks and datasets used for training our model, we show that GRANITE-20B-FUNCTIONCALLING has better generalizability on multiple tasks in seven different evaluation datasets.

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.

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

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 .

Equipped with the capability to call functions, modern large language models (LLMs) can leverage external tools for addressing a range of tasks unattainable through language skills alone. However, the effective execution of these tools relies heavily not just on the advanced capabilities of LLMs but also on precise user instructions, which often cannot be ensured in the real world. To evaluate the performance of LLMs tool-use under imperfect instructions, we meticulously examine the real-world instructions queried from users, analyze the error patterns, and build a challenging tool-use benchmark called Noisy ToolBench (NoisyToolBench). We find that due to the next-token prediction training objective, LLMs tend to arbitrarily generate the missed argument, which may lead to hallucinations and risks. To address this issue, we propose a novel framework, Ask-when-Needed (AwN), which prompts LLMs to ask questions to users whenever they encounter obstacles due to unclear instructions. Moreover, to reduce the manual labor involved in user-LLM interaction and assess LLMs performance in tool utilization from both accuracy and efficiency perspectives, we design an automated evaluation tool named ToolEvaluator. Our experiments demonstrate that the AwN significantly outperforms existing frameworks for tool learning in the NoisyToolBench. We will release all related code and datasets to support future research.

Although Foundation Models (FMs), such as GPT-4, are increasingly used in domains like finance and software engineering, reliance on textual interfaces limits these models' real-world interaction. To address this, FM providers introduced tool calling-triggering a proliferation of frameworks with distinct tool interfaces. In late 2024, Anthropic introduced the Model Context Protocol (MCP) to standardize this tool ecosystem, which has become the de facto standard with over eight million weekly SDK downloads. Despite its adoption, MCP's AI-driven, non-deterministic control flow introduces new risks to sustainability, security, and maintainability, warranting closer examination. Towards this end, we present the first large-scale empirical study of MCP servers. Using state-of-the-art health metrics and a hybrid analysis pipeline, combining a general-purpose static analysis tool with an MCP-specific scanner, we evaluate 1,899 open-source MCP servers to assess their health, security, and maintainability. Despite MCP servers demonstrating strong health metrics, we identify eight distinct vulnerabilities - only three overlapping with traditional software vulnerabilities. Additionally, 7.2% of servers contain general vulnerabilities and 5.5% exhibit MCP-specific tool poisoning. Regarding maintainability, while 66% exhibit code smells, 14.4% contain nine bug patterns overlapping with traditional open-source software projects. These findings highlight the need for MCP-specific vulnerability detection techniques while reaffirming the value of traditional analysis and refactoring practices.

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.

Effective evaluation of multi-hop tool use is critical for analyzing the understanding, reasoning, and function-calling capabilities of large language models (LLMs). However, progress has been hindered by a lack of reliable evaluation datasets. To address this, we present ToolHop, a dataset comprising 995 user queries and 3,912 associated tools, specifically designed for rigorous evaluation of multi-hop tool use. ToolHop ensures diverse queries, meaningful interdependencies, locally executable tools, detailed feedback, and verifiable answers through a novel query-driven data construction approach that includes tool creation, document refinement, and code generation. We evaluate 14 LLMs across five model families (i.e., LLaMA3.1, Qwen2.5, Gemini1.5, Claude3.5, and GPT), uncovering significant challenges in handling multi-hop tool-use scenarios. The leading model, GPT-4o, achieves an accuracy of 49.04%, underscoring substantial room for improvement. Further analysis reveals variations in tool-use strategies for various families, offering actionable insights to guide the development of more effective approaches. Code and data can be found in https://huggingface.co/bytedance-research/ToolHop.

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) 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.

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers, hindering the applicability of LLM agents in domains which demand large numbers of highly specialised tools, like in life sciences and medicine. Motivated by the growing trend of scientific studies accompanied by public code repositories, we propose ToolMaker, a novel agentic framework that autonomously transforms papers with code into LLM-compatible tools. Given a short task description and a repository URL, ToolMaker autonomously installs required dependencies and generates code to perform the task, using a closed-loop self-correction mechanism to iteratively diagnose and rectify errors. To evaluate our approach, we introduce a benchmark comprising 15 diverse and complex computational tasks spanning both medical and non-medical domains with over 100 unit tests to objectively assess tool correctness and robustness. ToolMaker correctly implements 80% of the tasks, substantially outperforming current state-of-the-art software engineering agents. ToolMaker therefore is a step towards fully autonomous agent-based scientific workflows.

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.

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

Despite the advancements of open-source large language models (LLMs) and their variants, e.g., LLaMA and Vicuna, they remain significantly limited in performing higher-level tasks, such as following human instructions to use external tools (APIs). This is because current instruction tuning largely focuses on basic language tasks instead of the tool-use domain. This is in contrast to state-of-the-art (SOTA) LLMs, e.g., ChatGPT, which have demonstrated excellent tool-use capabilities but are unfortunately closed source. To facilitate tool-use capabilities within open-source LLMs, we introduce ToolLLM, a general tool-use framework of data construction, model training and evaluation. We first present ToolBench, an instruction-tuning dataset for tool use, which is created automatically using ChatGPT. Specifically, we collect 16,464 real-world RESTful APIs spanning 49 categories from RapidAPI Hub, then prompt ChatGPT to generate diverse human instructions involving these APIs, covering both single-tool and multi-tool scenarios. Finally, we use ChatGPT to search for a valid solution path (chain of API calls) for each instruction. To make the searching process more efficient, we develop a novel depth-first search-based decision tree (DFSDT), enabling LLMs to evaluate multiple reasoning traces and expand the search space. We show that DFSDT significantly enhances the planning and reasoning capabilities of LLMs. For efficient tool-use assessment, we develop an automatic evaluator: ToolEval. We fine-tune LLaMA on ToolBench and obtain ToolLLaMA. Our ToolEval reveals that ToolLLaMA demonstrates a remarkable ability to execute complex instructions and generalize to unseen APIs, and exhibits comparable performance to ChatGPT. To make the pipeline more practical, we devise a neural API retriever to recommend appropriate APIs for each instruction, negating the need for manual API selection.

Large language models (LLMs) have displayed massive improvements in reason- ing and decision-making skills and can hold natural conversations with users. Many recent works seek to augment LLM-based assistants with external tools so they can access private or up-to-date information and carry out actions on behalf of users. To better measure the performance of these assistants, this paper introduces ToolTalk, a benchmark consisting of complex user intents re- quiring multi-step tool usage specified through dialogue. ToolTalk contains 28 tools grouped into 7 plugins, and includes a complete simulated implementa- tion of each tool, allowing for fully automated evaluation of assistants that rely on execution feedback. ToolTalk also emphasizes tools that externally affect the world rather than only tools for referencing or searching information. We evaluate GPT-3.5 and GPT-4 on ToolTalk resulting in success rates of 26% and 50% respectively. Our analysis of the errors reveals three major categories and suggests some future directions for improvement. We release ToolTalk at https://github.com/microsoft/ToolTalk.

Agentic AI systems represent a new frontier in artificial intelligence, where agents often based on large language models(LLMs) interact with tools, environments, and other agents to accomplish tasks with a degree of autonomy. These systems show promise across a range of domains, but their architectural underpinnings remain immature. This paper conducts a comprehensive review of the types of agents, their modes of interaction with the environment, and the infrastructural and architectural challenges that emerge. We identify a gap in how these systems manage tool orchestration at scale and propose a reusable design abstraction: the "Control Plane as a Tool" pattern. This pattern allows developers to expose a single tool interface to an agent while encapsulating modular tool routing logic behind it. We position this pattern within the broader context of agent design and argue that it addresses several key challenges in scaling, safety, and extensibility.

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.

Large language models have demonstrated impressive value in performing as autonomous agents when equipped with external tools and API calls. Nonetheless, effectively harnessing their potential for executing complex tasks crucially relies on enhancements in their function calling capabilities. This paper identifies a critical gap in existing function calling models, where performance varies significantly across benchmarks, often due to being misled by specific naming conventions. To address such an issue, we introduce Hammer, a novel family of foundation models specifically engineered for on-device function calling. Hammer employs an augmented dataset that enhances models' sensitivity to irrelevant functions and incorporates function masking techniques to minimize misleading. Our empirical evaluations reveal that Hammer not only outperforms larger models but also demonstrates robust generalization across diverse benchmarks, achieving sota results. Our open source contributions include a specialized dataset for irrelevance detection, a tuning framework for enhanced generalization, and the Hammer models, establishing a new standard for function calling performance.

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

Large language models (LLMs) use function calls to interface with external tools and data source. However, the current approach to LLM function calling is inherently synchronous, where each call blocks LLM inference, limiting LLM operation and concurrent function execution. In this work, we propose AsyncLM, a system for asynchronous LLM function calling. AsyncLM improves LLM's operational efficiency by enabling LLMs to generate and execute function calls concurrently. Instead of waiting for each call's completion, AsyncLM introduces an interrupt mechanism to asynchronously notify the LLM in-flight when function calls return. We design an in-context protocol for function calls and interrupts, provide fine-tuning strategy to adapt LLMs to the interrupt semantics, and implement these mechanisms efficiently on LLM inference process. We demonstrate that AsyncLM can reduce end-to-end task completion latency from 1.6x-5.4x compared to synchronous function calling on a set of benchmark tasks in the Berkeley function calling leaderboard (BFCL). Furthermore, we discuss how interrupt mechanisms can be extended to enable novel human-LLM or LLM-LLM interactions.

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.

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 .

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

The ability of large language models (LLMs) to utilize external tools has enabled them to tackle an increasingly diverse range of tasks. However, as the tasks become more complex and long-horizon, the intricate tool utilization process may trigger various unexpected errors. Therefore, how to effectively handle such errors, including identifying, diagnosing, and recovering from them, has emerged as a key research direction for advancing tool learning. In this work, we first extensively analyze the types of errors encountered during the function-calling process on several competitive tool evaluation benchmarks. Based on it, we introduce CRITICTOOL, a comprehensive critique evaluation benchmark specialized for tool learning. Building upon a novel evolutionary strategy for dataset construction, CRITICTOOL holds diverse tool-use errors with varying complexities, which better reflects real-world scenarios. We conduct extensive experiments on CRITICTOOL, and validate the generalization and effectiveness of our constructed benchmark strategy. We also provide an in-depth analysis of the tool reflection ability on various LLMs, offering a new perspective on the field of tool learning in LLMs. The code is available at https://github.com/Shellorley0513/CriticTool{https://github.com/Shellorley0513/CriticTool}.

Existing evaluations of tool learning primarily focus on validating the alignment of selected tools for large language models (LLMs) with expected outcomes. However, these approaches rely on a limited set of scenarios where answers can be pre-determined, diverging from genuine needs. Furthermore, a sole emphasis on outcomes disregards the intricate capabilities essential for LLMs to effectively utilize tools. To tackle this issue, we propose ToolEyes, a fine-grained system tailored for the evaluation of the LLMs' tool learning capabilities in authentic scenarios. The system meticulously examines seven real-world scenarios, analyzing five dimensions crucial to LLMs in tool learning: format alignment, intent comprehension, behavior planning, tool selection, and answer organization. Additionally, ToolEyes incorporates a tool library boasting approximately 600 tools, serving as an intermediary between LLMs and the physical world. Evaluations involving ten LLMs across three categories reveal a preference for specific scenarios and limited cognitive abilities in tool learning. Intriguingly, expanding the model size even exacerbates the hindrance to tool learning. These findings offer instructive insights aimed at advancing the field of tool learning. The data is available att https://github.com/Junjie-Ye/ToolEyes.

Tool-integrated reasoning has emerged as a key focus for enabling agentic applications. Among these, DeepResearch Agents have gained significant attention for their strong performance on complex, open-ended information-seeking tasks. We introduce Fathom-DeepResearch, an agentic system composed of two specialized models. The first is Fathom-Search-4B, a DeepSearch model trained from Qwen3-4B and optimized for evidence-based investigation through live web search and targeted webpage querying. Its training combines three advances: (i) DUETQA, a 5K-sample dataset generated via multi-agent self-play that enforces strict web-search dependence and heterogeneous source grounding; (ii) RAPO, a zero-overhead extension of GRPO that stabilizes multi-turn Reinforcement Learning with Verifiable Rewards through curriculum pruning, reward-aware advantage scaling, and per-prompt replay buffers; and (iii) a steerable step-level reward that classifies each tool call by cognitive behavior and marginal utility, enabling explicit control over search trajectory breadth, depth, and horizon. These improvements enable reliable extension of tool-calling beyond 20 calls when warranted. The second is Fathom-Synthesizer-4B, trained from Qwen3-4B, which converts multi-turn DeepSearch traces into structured, citation-dense DeepResearch Reports for comprehensive synthesis. Evaluated on DeepSearch benchmarks (SimpleQA, FRAMES, WebWalker, Seal0, MuSiQue) and DeepResearch-Bench, the system achieves state-of-the-art performance in the open-weights category while demonstrating strong generalization to diverse reasoning tasks including HLE, AIME-25, GPQA-Diamond, and MedQA.

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.

We introduce AnyTool, a large language model agent designed to revolutionize the utilization of a vast array of tools in addressing user queries. We utilize over 16,000 APIs from Rapid API, operating under the assumption that a subset of these APIs could potentially resolve the queries. AnyTool primarily incorporates three elements: an API retriever with a hierarchical structure, a solver aimed at resolving user queries using a selected set of API candidates, and a self-reflection mechanism, which re-activates AnyTool if the initial solution proves impracticable. AnyTool is powered by the function calling feature of GPT-4, eliminating the need for training external modules. We also revisit the evaluation protocol introduced by previous works and identify a limitation in this protocol that leads to an artificially high pass rate. By revising the evaluation protocol to better reflect practical application scenarios, we introduce an additional benchmark, termed AnyToolBench. Experiments across various datasets demonstrate the superiority of our AnyTool over strong baselines such as ToolLLM and a GPT-4 variant tailored for tool utilization. For instance, AnyTool outperforms ToolLLM by +35.4% in terms of average pass rate on ToolBench. Code will be available at https://github.com/dyabel/AnyTool.

Function calling is a core capability of large language models, essential for AI agents. Existing benchmarks such as the Berkeley Function Calling Leaderboard (BFCL), tau^2-Bench (arXiv:2506.07982), and ACEBench (arXiv:2501.12851) evaluate argument correctness but do not test adherence to format instructions embedded in parameter descriptions, such as enclosing values in double quotes or using ISO date formats. We introduce IFEval-FC, a benchmark inspired by IFEval (arXiv:2311.07911) that assesses precise instruction following in function calling. IFEval-FC encodes verifiable formats directly within JSON schema descriptions, for example specifying that a value must not contain punctuation. It includes 750 test cases, each consisting of a function with an embedded format for one of its input parameters and a corresponding user query. Evaluation is fully algorithmic, ensuring objectivity, reproducibility, and scalability. Our results show that even state-of-the-art proprietary models, including GPT-5 and Claude 4.1 Opus, frequently fail to follow basic formatting rules, highlighting a practical limitation for real-world agent systems. The complete codebase and data are publicly available at https://github.com/Skripkon/IFEval-FC.

Recent large language models (LLMs) have enabled the development of advanced agentic systems that can integrate various tools and APIs to fulfill user queries through function calling. However, the deployment of these LLMs on the edge has not been explored since they typically require cloud-based infrastructure due to their substantial model size and computational demands. To this end, we present TinyAgent, an end-to-end framework for training and deploying task-specific small language model agents capable of function calling for driving agentic systems at the edge. We first show how to enable accurate function calling for open-source models via the LLMCompiler framework. We then systematically curate a high-quality dataset for function calling, which we use to fine-tune two small language models, TinyAgent-1.1B and 7B. For efficient inference, we introduce a novel tool retrieval method to reduce the input prompt length and utilize quantization to further accelerate the inference speed. As a driving application, we demonstrate a local Siri-like system for Apple's MacBook that can execute user commands through text or voice input. Our results show that our models can achieve, and even surpass, the function-calling capabilities of larger models like GPT-4-Turbo, while being fully deployed at the edge. We open-source our dataset, models, and installable package and provide a demo video for our MacBook assistant agent.

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

Tool 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.

The advanced function-calling capabilities of foundation models open up new possibilities for deploying agents to perform complex API tasks. However, managing large amounts of data and interacting with numerous APIs makes function calling hardware-intensive and costly, especially on edge devices. Current Large Language Models (LLMs) struggle with function calling at the edge because they cannot handle complex inputs or manage multiple tools effectively. This results in low task-completion accuracy, increased delays, and higher power consumption. In this work, we introduce Less-is-More, a novel fine-tuning-free function-calling scheme for dynamic tool selection. Our approach is based on the key insight that selectively reducing the number of tools available to LLMs significantly improves their function-calling performance, execution time, and power efficiency on edge devices. Experimental results with state-of-the-art LLMs on edge hardware show agentic success rate improvements, with execution time reduced by up to 70% and power consumption by up to 40%.

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

Although current Large Language Models (LLMs) exhibit impressive capabilities, performing complex real-world tasks still requires tool learning. Mainstream methods, such as CoT/ReAct, rely on step-by-step tool invocation to interact with external environments, but they are limited in perceptual scope and lack adequate task-planning capability. To address these limitations, other studies introduce the first Search-based Decision Tree (DFSDT), which still suffers from the high computational cost. In this paper, we introduce a novel parallel tool invocation paradigm, DTA-Llama (Divide-Then-Aggregate Llama). First, we transform traditional tree-based tool search paths into Directed Acyclic Graph (DAG) structure, generating a high-quality parallel tool invocation dataset. The DTA-Llama is then trained on the dataset to learn to iteratively divide the current task into several parallel tool invocation sub-tasks and aggregate the invocation results to decide the next actions. Furthermore, we introduce an efficient inference framework inspired by the Process/Threads mechanism when applying the DTA-Llama to practical tasks. Experimental results show that our approach substantially enhances task performance while reducing token consumption and inference time. Llama2-7B, using our method, is comparable to the official parallel function calling method of GPT-3.5. The relevant code, dataset, and model weights are available at https://corn0205.github.io/

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.

Tool-using agents that act in the world need to be both useful and safe. Well-calibrated model confidences can be used to weigh the risk versus reward of potential actions, but prior work shows that many models are poorly calibrated. Inspired by interpretability literature exploring the internals of models, we propose a novel class of model-internal confidence estimators (MICE) to better assess confidence when calling tools. MICE first decodes from each intermediate layer of the language model using logitLens and then computes similarity scores between each layer's generation and the final output. These features are fed into a learned probabilistic classifier to assess confidence in the decoded output. On the simulated trial and error (STE) tool-calling dataset using Llama3 models, we find that MICE beats or matches the baselines on smoothed expected calibration error. Using MICE confidences to determine whether to call a tool significantly improves over strong baselines on a new metric, expected tool-calling utility. Further experiments show that MICE is sample-efficient, can generalize zero-shot to unseen APIs, and results in higher tool-calling utility in scenarios with varying risk levels. Our code is open source, available at https://github.com/microsoft/mice_for_cats.

Current Large Language Model (LLM) agents demonstrate strong reasoning and tool use capabilities, but often lack self-awareness, failing to balance these approaches effectively. This imbalance leads to Tool Overuse, where models unnecessarily rely on external tools for tasks solvable with parametric knowledge, increasing computational overhead. Inspired by human metacognition, we introduce SMART (Strategic Model-Aware Reasoning with Tools), a paradigm that enhances an agent's self-awareness to optimize task handling and reduce tool overuse. To support this paradigm, we introduce SMART-ER, a dataset spanning three domains, where reasoning alternates between parametric knowledge and tool-dependent steps, with each step enriched by rationales explaining when tools are necessary. Through supervised training, we develop SMARTAgent, a family of models that dynamically balance parametric knowledge and tool use. Evaluations show that SMARTAgent reduces tool use by 24% while improving performance by over 37%, enabling 7B-scale models to match its 70B counterpart and GPT-4o. Additionally, SMARTAgent generalizes to out-of-distribution test data like GSM8K and MINTQA, maintaining accuracy with just one-fifth the tool calls. These highlight the potential of strategic tool use to enhance reasoning, mitigate overuse, and bridge the gap between model size and performance, advancing intelligent and resource-efficient agent designs.

Recent advances in reasoning and planning capabilities of large language models (LLMs) have enabled their potential as autonomous agents capable of tool use in dynamic environments. However, in multi-turn conversational environments like tau-bench, these agents often struggle with consistent reasoning, adherence to domain-specific policies, and extracting correct information over a long horizon of tool-calls and conversation. To capture and mitigate these failures, we conduct a comprehensive manual analysis of the common errors occurring in the conversation trajectories. We then experiment with reformulations of inputs to the tool-calling agent for improvement in agent decision making. Finally, we propose the Input-Reformulation Multi-Agent (IRMA) framework, which automatically reformulates user queries augmented with relevant domain rules and tool suggestions for the tool-calling agent to focus on. The results show that IRMA significantly outperforms ReAct, Function Calling, and Self-Reflection by 16.1%, 12.7%, and 19.1%, respectively, in overall pass^5 scores. These findings highlight the superior reliability and consistency of IRMA compared to other methods in dynamic environments.

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.

With the recent rapid advancement of Agentic Intelligence, agentic tool use in LLMs has become increasingly important. During multi-turn interactions between agents and users, the dynamic, uncertain, and stochastic nature of user demands poses significant challenges to the agent's tool invocation capabilities. Agents are no longer expected to simply call tools to deliver a result; rather, they must iteratively refine their understanding of user needs through communication while simultaneously invoking tools to resolve user queries. Existing reinforcement learning (RL) approaches for tool use lack the integration of genuinely dynamic users during the RL training process. To bridge this gap, we introduce MUA-RL (Multi-turn User-interacting Agent Reinforcement Learning for agentic tool use), a novel reinforcement learning framework that, for the first time in the field of agentic tool use, integrates LLM-simulated users into the reinforcement learning loop. MUA-RL aims to enable autonomous learning of models to communicate with users efficiently and use various tools to solve practical problems in dynamic multi-turn interactions. Evaluations are done on several multi-turn tool-using benchmarks (see Figure 1). Specifically, MUA-RL-32B achieves 67.3 on TAU2 Retail, 45.4 on TAU2 Airline, 28.3 on TAU2 Telecom, 28.4 on BFCL-V3 Multi Turn, and 82.5 on ACEBench Agent -- outperforming or matching the performance of larger open-source models such as DeepSeek-V3-0324 and Qwen3-235B-A22B in non-thinking settings.

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.

Function calling (FC) empowers large language models (LLMs) and autonomous agents to interface with external tools, a critical capability for solving complex, real-world problems. As this ability becomes increasingly central to advanced AI systems, the need for high-quality, multi-turn training data to develop and refine it cannot be overstated. Existing data synthesis methods, such as random environment sampling or multi-agent role-playing, are not powerful enough to generate high-quality data in real-world environments. Practical challenges come in three folds: targeted model training, isolation of tool architecture, and multi-turn logical dependency. To address these structural deficiencies, we present FunReason-MT, a novel data synthesis framework for real-world multi-turn tool use. FunReason-MT resolves the complexity barrier in multi-turn FC data by employing 1) Environment-API Graph Interactions to gather varied high-quality trajectories, 2) Advanced Tool-Query Synthesis to simplify hard query construction, and 3) Guided Iterative Chain for sophisticated CoT generation. Evaluations on Berkeley Function-Calling Leaderboard (BFCLv3) demonstrate the power of our framework: a 4B model built upon FunReason-MT generated data achieves state-of-the-art performance among comparable-sized models, outperforming most close-source models. Further performance improvements on BFCLv4 confirm that FunReason-MT provides a reliable and robust source for agentic learning.

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

Large language models (LLMs) have demonstrated powerful decision-making and planning capabilities in solving complicated real-world problems. LLM-based autonomous agents can interact with diverse tools (e.g., functional APIs) and generate solution plans that execute a series of API function calls in a step-by-step manner. The multitude of candidate API function calls significantly expands the action space, amplifying the critical need for efficient action space navigation. However, existing methods either struggle with unidirectional exploration in expansive action spaces, trapped into a locally optimal solution, or suffer from exhaustively traversing all potential actions, causing inefficient navigation. To address these issues, we propose ToolChain*, an efficient tree search-based planning algorithm for LLM-based agents. It formulates the entire action space as a decision tree, where each node represents a possible API function call involved in a solution plan. By incorporating the A* search algorithm with task-specific cost function design, it efficiently prunes high-cost branches that may involve incorrect actions, identifying the most low-cost valid path as the solution. Extensive experiments on multiple tool-use and reasoning tasks demonstrate that ToolChain* efficiently balances exploration and exploitation within an expansive action space. It outperforms state-of-the-art baselines on planning and reasoning tasks by 3.1% and 3.5% on average while requiring 7.35x and 2.31x less time, respectively.

External tool integration through function-calling is essential for practical language model applications, yet most multilingual models lack reliable tool-use capabilities in non-English languages. Even state-of-the-art multilingual models struggle with determining when to use tools and generating the structured outputs required for function calls, often exhibiting language confusion when prompted in lower-resource languages. This work presents a methodology for adapting existing language models to enable robust tool use in any target language, using Bulgarian as a case study. The approach involves continued training of the BgGPT model series (2.6B, 9B, 27B parameters) on a novel bilingual dataset of 10,035 function-calling examples designed to support standardized protocols like MCP (Model Context Protocol). The research introduces TUCAN (Tool-Using Capable Assistant Navigator), which achieves up to 28.75% improvement in function-calling accuracy over base models while preserving core language understanding, as verified on established Bulgarian benchmarks. Beyond accuracy gains, TUCAN models demonstrate production-ready response formatting with clean, parsable function calls, contrasting with the verbose and inconsistent outputs of base models. The models, evaluation framework, and dataset are released to enable replication for other languages. This work demonstrates a practical approach for extending tool-augmented capabilities beyond English-centric systems.

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

Large Language Models (LLMs) have seen an impressive wave of advances recently, with models now excelling in a variety of tasks, such as mathematical reasoning and program synthesis. However, their potential to effectively use tools via API calls remains unfulfilled. This is a challenging task even for today's state-of-the-art LLMs such as GPT-4, largely due to their inability to generate accurate input arguments and their tendency to hallucinate the wrong usage of an API call. We release Gorilla, a finetuned LLaMA-based model that surpasses the performance of GPT-4 on writing API calls. When combined with a document retriever, Gorilla demonstrates a strong capability to adapt to test-time document changes, enabling flexible user updates or version changes. It also substantially mitigates the issue of hallucination, commonly encountered when prompting LLMs directly. To evaluate the model's ability, we introduce APIBench, a comprehensive dataset consisting of HuggingFace, TorchHub, and TensorHub APIs. The successful integration of the retrieval system with Gorilla demonstrates the potential for LLMs to use tools more accurately, keep up with frequently updated documentation, and consequently increase the reliability and applicability of their outputs. Gorilla's code, model, data, and demo are available at https://gorilla.cs.berkeley.edu

Language models have shown effectiveness in a variety of software applications, particularly in tasks related to automatic workflow. These models possess the crucial ability to call functions, which is essential in creating AI agents. Despite the high performance of large-scale language models in cloud environments, they are often associated with concerns over privacy and cost. Current on-device models for function calling face issues with latency and accuracy. Our research presents a new method that empowers an on-device model with 2 billion parameters to surpass the performance of GPT-4 in both accuracy and latency, and decrease the context length by 95\%. When compared to Llama-7B with a RAG-based function calling mechanism, our method enhances latency by 35-fold. This method reduces the latency to levels deemed suitable for deployment across a variety of edge devices in production environments, aligning with the performance requisites for real-world applications.

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.

Prompting and fine-tuning have emerged as two competing paradigms for augmenting language models with new capabilities, such as the use of tools. Prompting approaches are quick to set up but rely on providing explicit demonstrations of each tool's usage in the model's prompt, thus coupling tool use to the task at hand and limiting generalisation. Fine-tuning removes the need for task-specific demonstrations of tool usage at runtime; however, this ties new capabilities to a single model, thus making already-heavier setup costs a recurring expense. In this paper, we introduce language hooks, a novel framework for augmenting language models with new capabilities that is decoupled both from the model's task-specific prompt and from the model itself. The language hook algorithm interleaves text generation by the base model with the execution of modular programs that trigger conditionally based on the existing text and the available capabilities. Upon triggering, programs may call external tools, auxiliary language models (e.g. using tool specific prompts), and modify the existing context. We benchmark our method against state-of-the-art baselines, find that it outperforms task-aware approaches, and demonstrate its ability to generalise to novel tasks.

LLMs' capabilities are enhanced by using function calls to integrate various data sources or API results into the context window. Typical tools include search, web crawlers, maps, financial data, file systems, and browser usage, etc. Integrating these data sources or functions requires a standardized method. The Model Context Protocol (MCP) provides a standardized way to supply context to LLMs. However, the evaluation of LLMs and AI Agents' MCP tool use abilities suffer from several issues. First, there's a lack of comprehensive datasets or benchmarks to evaluate various MCP tools. Second, the diverse formats of response from MCP tool call execution further increase the difficulty of evaluation. Additionally, unlike existing tool-use benchmarks with high success rates in functions like programming and math functions, the success rate of real-world MCP tool is not guaranteed and varies across different MCP servers. Furthermore, the LLMs' context window also limits the number of available tools that can be called in a single run, because the textual descriptions of tool and the parameters have long token length for an LLM to process all at once. To help address the challenges of evaluating LLMs' performance on calling MCP tools, we propose MCPToolBench++, a large-scale, multi-domain AI Agent tool use benchmark. As of July 2025, this benchmark is build upon marketplace of over 4k MCP servers from more than 40 categories, collected from the MCP marketplaces and GitHub communities. The datasets consist of both single-step and multi-step tool calls across different categories. We evaluated SOTA LLMs with agentic abilities on this benchmark and reported the results.

External tools help large language models succeed at tasks where they would otherwise typically fail. In existing frameworks, choosing tools at test time relies on naive greedy decoding, regardless of whether the model has been fine-tuned on tool-annotated data or prompted with in-context examples. In contrast, we find that gathering and choosing among a suitable set of candidate tools has greater potential to lead to an optimal selection. We present Tool selECTion via meta-reasONing (TECTON), a two-phase system that first reasons over a task and outputs candidate tools using a custom fine-tuned language modelling head. Then, with the custom head disabled, it meta-reasons (i.e., it reasons over the previous reasoning process) to make a final choice. We show that TECTON results in substantial gains--both in-distribution and out-of-distribution--on a range of math reasoning datasets.

With advances in decision-making and reasoning capabilities, multimodal agents show strong potential in computer application scenarios. Past evaluations have mainly assessed GUI interaction skills, while tool invocation abilities, such as those enabled by the Model Context Protocol (MCP), have been largely overlooked. Comparing agents with integrated tool invocation to those evaluated only on GUI interaction is inherently unfair. We present OSWorld-MCP, the first comprehensive and fair benchmark for assessing computer-use agents' tool invocation, GUI operation, and decision-making abilities in a real-world environment. We design a novel automated code-generation pipeline to create tools and combine them with a curated selection from existing tools. Rigorous manual validation yields 158 high-quality tools (covering 7 common applications), each verified for correct functionality, practical applicability, and versatility. Extensive evaluations of state-of-the-art multimodal agents on OSWorld-MCP show that MCP tools generally improve task success rates (e.g., from 8.3% to 20.4% for OpenAI o3 at 15 steps, from 40.1% to 43.3% for Claude 4 Sonnet at 50 steps), underscoring the importance of assessing tool invocation capabilities. However, even the strongest models have relatively low tool invocation rates, Only 36.3%, indicating room for improvement and highlighting the benchmark's challenge. By explicitly measuring MCP tool usage skills, OSWorld-MCP deepens understanding of multimodal agents and sets a new standard for evaluating performance in complex, tool-assisted environments. Our code, environment, and data are publicly available at https://osworld-mcp.github.io.

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.

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

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.

Language Agent could be endowed with different mechanisms for autonomous task accomplishment. Current agents typically rely on fixed mechanisms or a set of mechanisms activated in a predefined order, limiting their adaptation to varied potential task solution structures. To this end, this paper proposes Adaptive Language Agent Mechanism Activation Learning with Self-Exploration (ALAMA), which focuses on optimizing mechanism activation adaptability without reliance on expert models. Initially, it builds a harmonized agent framework (UniAct) to Unify different mechanisms via Actions. Then it leverages a training-efficient optimization method based on self-exploration to enable the UniAct to adaptively activate the appropriate mechanisms according to the potential characteristics of the task. Experimental results demonstrate significant improvements in downstream agent tasks, affirming the effectiveness of our approach in facilitating more dynamic and context-sensitive mechanism activation.

Large language models (LLMs) are often augmented with tools to solve complex tasks. By generating code snippets and executing them through task-specific Application Programming Interfaces (APIs), they can offload certain functions to dedicated external modules, such as image encoding and performing calculations. However, most existing approaches to augment LLMs with tools are constrained by general-purpose APIs and lack the flexibility for tailoring them to specific tasks. In this work, we present CRAFT, a general tool creation and retrieval framework for LLMs. It creates toolsets specifically curated for the tasks and equips LLMs with a component that retrieves tools from these sets to enhance their capability to solve complex tasks. For each task, we collect specific code solutions by prompting GPT-4 to solve the training examples. Following a validation step ensuring the correctness, these solutions are abstracted into code snippets to enhance reusability, and deduplicated for higher quality. At inference time, the language model retrieves snippets from the toolsets and then executes them or generates the output conditioning on the retrieved snippets. Our method is designed to be flexible and offers a plug-and-play approach to adapt off-the-shelf LLMs to unseen domains and modalities, without any finetuning. Experiments on vision-language, tabular processing, and mathematical reasoning tasks show that our approach achieves substantial improvements compared to strong baselines. In addition, our in-depth analysis reveals that: (1) consistent performance improvement can be achieved by scaling up the number of tools and the capability of the backbone models; (2) each component of our approach contributes to the performance gains; (3) the created tools are well-structured and reliable with low complexity and atomicity. The code is available at https://github.com/lifan-yuan/CRAFT.

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.

Function calling capabilities are crucial for deploying Large Language Models in real-world applications, yet current training approaches fail to develop robust reasoning strategies. Supervised fine-tuning produces models that rely on superficial pattern matching, while standard reinforcement learning methods struggle with the complex action space of structured function calls. We present a novel reinforcement learning framework designed to enhance group relative policy optimization through strategic entropy based exploration specifically tailored for function calling tasks. Our approach addresses three critical challenges in function calling: insufficient exploration during policy learning, lack of structured reasoning in chain-of-thought generation, and inadequate verification of parameter extraction. Our two-stage data preparation pipeline ensures high-quality training samples through iterative LLM evaluation and abstract syntax tree validation. Extensive experiments on the Berkeley Function Calling Leaderboard demonstrate that this framework achieves state-of-the-art performance among open-source models with 86.02\% overall accuracy, outperforming standard GRPO by up to 6\% on complex multi-function scenarios. Notably, our method shows particularly strong improvements on code-pretrained models, suggesting that structured language generation capabilities provide an advantageous starting point for reinforcement learning in function calling tasks. We will release all the code, models and dataset to benefit the community.

We study why Tool-Integrated Reasoning (TIR) makes Large Language Models (LLMs) more capable. While LLMs integrated with tools like Python code interpreters show great promise, a principled theory explaining why this paradigm is effective has been missing. This work provides the first formal proof that TIR fundamentally expands an LLM's capabilities. We demonstrate that tools enable a strict expansion of the model's empirical and feasible support, breaking the capability ceiling of pure-text models by unlocking problem-solving strategies that are otherwise impossible or intractably verbose. To guide model behavior without compromising training stability and performance, we also introduce Advantage Shaping Policy Optimization (ASPO), a novel algorithm that directly modifies the advantage function to guide the policy behavior. We conduct comprehensive experiments on challenging mathematical benchmarks, leveraging a Python interpreter as the external tool. Our results show that the TIR model decisively outperforms its pure-text counterpart on the pass@k metric. Crucially, this advantage is not confined to computationally-intensive problems but extends to those requiring significant abstract insight. We further identify the emergent cognitive patterns that illustrate how models learn to think with tools. Finally, we report improved tool usage behavior with early code invocation and much more interactive turns with ASPO. Overall, our work provides the first principled explanation for TIR's success, shifting the focus from the mere fact that tools work to why and how they enable more powerful reasoning.

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

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

Advanced agentic intelligence is a prerequisite for deploying Large Language Models in practical, real-world applications. Diverse real-world APIs demand precise, robust function-calling intelligence, which needs agents to develop these capabilities through interaction in varied environments. The breadth of function-calling competence is closely tied to the diversity of environments in which agents are trained. In this work, we scale up environments as a step towards advancing general agentic intelligence. This gives rise to two central challenges: (i) how to scale environments in a principled manner, and (ii) how to effectively train agentic capabilities from experiences derived through interactions with these environments. To address these, we design a scalable framework that automatically constructs heterogeneous environments that are fully simulated, systematically broadening the space of function-calling scenarios. We further adapt a two-phase agent fine-tuning strategy: first endowing agents with fundamental agentic capabilities, then specializing them for domain-specific contexts. Extensive experiments on agentic benchmarks, tau-bench, tau2-Bench, and ACEBench, demonstrate that our trained model, AgentScaler, significantly enhances the function-calling capability of models.

Large language models (LLMs) have demonstrated exceptional performance in planning the use of various functional tools, such as calculators and retrievers, particularly in question-answering tasks. In this paper, we expand the definition of these tools, centering on conceptual tools within the context of dialogue systems. A conceptual tool specifies a cognitive concept that aids systematic or investigative thought. These conceptual tools play important roles in practice, such as multiple psychological or tutoring strategies being dynamically applied in a single turn to compose helpful responses. To further enhance the reasoning and planning capability of LLMs with these conceptual tools, we introduce a multi-persona collaboration framework: Think-Plan-Execute (TPE). This framework decouples the response generation process into three distinct roles: Thinker, Planner, and Executor. Specifically, the Thinker analyzes the internal status exhibited in the dialogue context, such as user emotions and preferences, to formulate a global guideline. The Planner then generates executable plans to call different conceptual tools (e.g., sources or strategies), while the Executor compiles all intermediate results into a coherent response. This structured approach not only enhances the explainability and controllability of responses but also reduces token redundancy. We demonstrate the effectiveness of TPE across various dialogue response generation tasks, including multi-source (FoCus) and multi-strategy interactions (CIMA and PsyQA). This reveals its potential to handle real-world dialogue interactions that require more complicated tool learning beyond just functional tools. The full code and data will be released for reproduction.

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.

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

In the rapidly evolving domain of artificial intelligence, Large Language Models (LLMs) play a crucial role due to their advanced text processing and generation abilities. This study introduces a new strategy aimed at harnessing on-device LLMs in invoking software APIs. We meticulously compile a dataset derived from software API documentation and apply fine-tuning to LLMs with capacities of 2B, 3B and 7B parameters, specifically to enhance their proficiency in software API interactions. Our approach concentrates on refining the models' grasp of API structures and syntax, significantly enhancing the accuracy of API function calls. Additionally, we propose conditional masking techniques to ensure outputs in the desired formats and reduce error rates while maintaining inference speeds. We also propose a novel benchmark designed to evaluate the effectiveness of LLMs in API interactions, establishing a foundation for subsequent research. Octopus, the fine-tuned model, is proved to have better performance than GPT-4 for the software APIs calling. This research aims to advance automated software development and API integration, representing substantial progress in aligning LLM capabilities with the demands of practical software engineering applications.

Interacting with a software system via a chatbot can be challenging, especially when the chatbot needs to generate API calls, in the right order and with the right parameters, to communicate with the system. API calling in chatbot systems poses significant challenges, particularly in complex, multi-step tasks requiring accurate API selection and execution. We contribute to this domain in three ways: first, by introducing a novel dataset designed to assess models on API function selection, parameter generation, and nested API calls; second, by benchmarking state-of-the-art language models across varying levels of complexity to evaluate their performance in API function generation and parameter accuracy; and third, by proposing an enhanced API routing method that combines general-purpose large language models for API selection with fine-tuned models for parameter generation and some prompt engineering approach. These approaches lead to substantial improvements in handling complex API tasks, offering practical advancements for real-world API-driven chatbot systems.

Existing function-calling benchmarks focus on single-turn interactions. However, they overlook the complexity of real-world scenarios. To quantify how existing benchmarks address practical applications, we introduce DICE-SCORE, a metric that evaluates the dispersion of tool-related information such as function name and parameter values throughout the dialogue. Analyzing existing benchmarks through DICE-SCORE reveals notably low scores, highlighting the need for more realistic scenarios. To address this gap, we present DICE-BENCH, a framework that constructs practical function-calling datasets by synthesizing conversations through a tool graph that maintains dependencies across rounds and a multi-agent system with distinct personas to enhance dialogue naturalness. The final dataset comprises 1,607 high-DICE-SCORE instances. Our experiments on 19 LLMs with DICE-BENCH show that significant advances are still required before such models can be deployed effectively in real-world settings. Our code and data are all publicly available: https://snuhcc.github.io/DICE-Bench/.

Recent advances in multi-agent systems highlight the potential of specialized small agents that collaborate via division of labor. Existing tool-integrated reasoning systems, however, often follow a single-agent paradigm in which one large model interleaves long-horizon reasoning with precise tool operations, leading to cognitive-load interference and unstable coordination. We present MSARL, a Multi-Small-Agent Reinforcement Learning framework that explicitly decouples reasoning from tool use. In MSARL, a Reasoning Agent decomposes problems and plans tool invocations, while multiple Tool Agents specialize in specific external tools, each trained via a combination of imitation learning and reinforcement learning with role-specific rewards. On mathematical problem solving with code execution, MSARL significantly improves reasoning stability and final-answer accuracy over single-agent baselines. Moreover, the architecture generalizes to diverse tool-use tasks, demonstrating that cognitive-role decoupling with small agents is a scalable blueprint for multi-agent AI design.

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

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

Recently, the incredible progress of large language models (LLMs) has ignited the spark of task automation, which decomposes the complex tasks described by user instructions into sub-tasks, and invokes external tools to execute them, and plays a central role in autonomous agents. However, there lacks a systematic and standardized benchmark to foster the development of LLMs in task automation. To this end, we introduce TaskBench to evaluate the capability of LLMs in task automation. Specifically, task automation can be formulated into three critical stages: task decomposition, tool invocation, and parameter prediction to fulfill user intent. This complexity makes data collection and evaluation more challenging compared to common NLP tasks. To generate high-quality evaluation datasets, we introduce the concept of Tool Graph to represent the decomposed tasks in user intent, and adopt a back-instruct method to simulate user instruction and annotations. Furthermore, we propose TaskEval to evaluate the capability of LLMs from different aspects, including task decomposition, tool invocation, and parameter prediction. Experimental results demonstrate that TaskBench can effectively reflects the capability of LLMs in task automation. Benefiting from the mixture of automated data construction and human verification, TaskBench achieves a high consistency compared to the human evaluation, which can be utilized as a comprehensive and faithful benchmark for LLM-based autonomous agents.

Large Language Models (LLMs) have exhibited significant potential in performing diverse tasks, including the ability to call functions or use external tools to enhance their performance. While current research on function calling by LLMs primarily focuses on single-turn interactions, this paper addresses the overlooked necessity for LLMs to engage in multi-turn function calling--critical for handling compositional, real-world queries that require planning with functions but not only use functions. To facilitate this, we introduce an approach, BUTTON, which generates synthetic compositional instruction tuning data via bottom-up instruction construction and top-down trajectory generation. In the bottom-up phase, we generate simple atomic tasks based on real-world scenarios and build compositional tasks using heuristic strategies based on atomic tasks. Corresponding functions are then developed for these compositional tasks. The top-down phase features a multi-agent environment where interactions among simulated humans, assistants, and tools are utilized to gather multi-turn function calling trajectories. This approach ensures task compositionality and allows for effective function and trajectory generation by examining atomic tasks within compositional tasks. We produce a dataset BUTTONInstruct comprising 8k data points and demonstrate its effectiveness through extensive experiments across various LLMs.

Tool learning enables large language models (LLMs) to interact with external tools and APIs, greatly expanding the application scope of LLMs. However, due to the dynamic nature of external environments, these tools and APIs may become outdated over time, preventing LLMs from correctly invoking tools. Existing research primarily focuses on static environments and overlooks this issue, limiting the adaptability of LLMs in real-world applications. In this paper, we propose ToolEVO, a novel framework designed to enhance the adaptive and reflective capabilities of LLMs against tool variability. By leveraging Monte Carlo Tree Search, ToolEVO facilitates active exploration and interaction of LLMs within dynamic environments, allowing for autonomous self-reflection and self-updating of tool usage based on environmental feedback. Additionally, we introduce ToolQA-D, a benchmark specifically designed to evaluate the impact of tool variability. Extensive experiments demonstrate the effectiveness and stability of our approach, highlighting the importance of adaptability to tool variability for effective tool learning.

Language model attacks typically assume one of two extreme threat models: full white-box access to model weights, or black-box access limited to a text generation API. However, real-world APIs are often more flexible than just text generation: these APIs expose "gray-box" access leading to new threat vectors. To explore this, we red-team three new functionalities exposed in the GPT-4 APIs: fine-tuning, function calling and knowledge retrieval. We find that fine-tuning a model on as few as 15 harmful examples or 100 benign examples can remove core safeguards from GPT-4, enabling a range of harmful outputs. Furthermore, we find that GPT-4 Assistants readily divulge the function call schema and can be made to execute arbitrary function calls. Finally, we find that knowledge retrieval can be hijacked by injecting instructions into retrieval documents. These vulnerabilities highlight that any additions to the functionality exposed by an API can create new vulnerabilities.

Large Language Models (LLMs) have shown remarkable results on various complex reasoning benchmarks. The reasoning capabilities of LLMs enable them to execute function calls, using user-provided functions to overcome their inherent limitations, such as knowledge cutoffs, poor arithmetic skills, or lack of access to private data. This development has expanded LLMs' scope to include multi-function calling, where LLMs are equipped with a variety of functions and select the proper functions based on the context. Multi-function calling abilities of LLMs have catalyzed LLM-based software development, allowing them to tackle more complex problems. However, current methods for multi-function calling often require sequential reasoning and acting for each function which can result in high latency, cost, and sometimes inaccurate behavior. To address this, we introduce LLMCompiler, which executes functions in parallel to efficiently orchestrate multi-function calling. Drawing from the principles of classical compilers, LLMCompiler streamlines parallel function calling with three components: (i) an LLM Planner, formulating execution strategies and dependencies; (ii) a Task Fetching Unit, dispatching function calling tasks; and (iii) an Executor, executing these tasks in parallel. LLMCompiler automatically computes an optimized orchestration for the function calls and can be used with open-source models such as LLaMA-2. We have benchmarked LLMCompiler on a range of tasks including cases with non-trivial inter-dependency between function calls, as well as cases that require dynamic replanning based on intermediate results. We observe consistent latency speedup of up to 3.7x, cost savings of up to 6.7x, and accuracy improvement of up to ~9% as compared to ReAct. Additionally, LLMCompiler achieves up to 1.35x latency gain over OpenAI's recent parallel function calling, while achieving similar accuracy.

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.

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

Tool learning has emerged as a promising direction by extending Large Language Models' (LLMs) capabilities with external tools. Existing tool learning studies primarily focus on the general-purpose tool-use capability, which addresses explicit user requirements in instructions. However, they overlook the importance of personalized tool-use capability, leading to an inability to handle implicit user preferences. To address the limitation, we first formulate the task of personalized tool learning, which integrates user's interaction history towards personalized tool usage. To fill the gap of missing benchmarks, we construct PEToolBench, featuring diverse user preferences reflected in interaction history under three distinct personalized settings, and encompassing a wide range of tool-use scenarios. Moreover, we propose a framework PEToolLLaMA to adapt LLMs to the personalized tool learning task, which is trained through supervised fine-tuning and direct preference optimization. Extensive experiments on PEToolBench demonstrate the superiority of PEToolLLaMA over existing LLMs.

Large language models (LLMs) are increasingly tasked with invoking enterprise APIs, yet they routinely falter when near-duplicate tools vie for the same user intent or when required arguments are left underspecified. We introduce DiaFORGE (Dialogue Framework for Organic Response Generation & Evaluation), a disambiguation-centric, three-stage pipeline that (i) synthesizes persona-driven, multi-turn dialogues in which the assistant must distinguish among highly similar tools, (ii) performs supervised fine-tuning of open-source models with reasoning traces across 3B - 70B parameters, and (iii) evaluates real-world readiness via a dynamic suite that redeploys each model in a live agentic loop and reports end-to-end goal completion alongside conventional static metrics. On our dynamic benchmark DiaBENCH, models trained with DiaFORGE raise tool-invocation success by 27 pp over GPT-4o and by 49 pp over Claude-3.5-Sonnet, both under optimized prompting. To spur further research, we release an open corpus of 5000 production-grade enterprise API specifications paired with rigorously validated, disambiguation-focused dialogues, offering a practical blueprint for building reliable, enterprise-ready tool-calling agents.

Large Language Models (LLMs) have demonstrated significant progress in utilizing external APIs as tools for various tasks. However, their tool-using ability is limited by the availability of suitable APIs and the instability of implicit reasoning, particularly when simultaneously engaging in reasoning about plans and actual calculations. To address these limitations, we propose CREATOR, a novel framework that empowers LLMs to create their own tools through documentation and code realization. CREATOR disentangles the LLM's ability into two distinct phases: abstract tool creation and concrete decision execution, which results in improved LLM performance. We evaluate CREATOR on two established benchmarks: MATH, which consists of challenging math competition problems, and TabMWP, which includes diverse tabular contents for problem-solving. Remarkably, CREATOR significantly outperforms existing chain-of-thought (CoT), program-of-thought (PoT), and tool-using baselines on these two benchmarks. Additionally, we present a new dataset, Creation Challenge, comprising 2K diverse questions, to highlight the necessity and benefits of LLMs' tool creation ability in effectively addressing these problems. Furthermore, our research reveals that leveraging LLMs as tool creators facilitates knowledge transfer, and LLMs exhibit varying levels of tool creation abilities, enabling them to flexibly tackle diverse situations. Our study represents a promising avenue for maximizing the potential of LLMs and advancing toward truly intelligent and adaptable AI systems.

DL compiler's primary function is to translate DNN programs written in high-level DL frameworks such as PyTorch and TensorFlow into portable executables. These executables can then be flexibly executed by the deployed host programs. However, existing DL compilers rely on a tracing mechanism, which involves feeding a runtime input to a neural network program and tracing the program execution paths to generate the computational graph necessary for compilation. Unfortunately, this mechanism falls short when dealing with modern dynamic neural networks (DyNNs) that possess varying computational graphs depending on the inputs. Consequently, conventional DL compilers struggle to accurately compile DyNNs into executable code. To address this limitation, we propose \tool, a general approach that enables any existing DL compiler to successfully compile DyNNs. \tool tackles the dynamic nature of DyNNs by introducing a compilation mechanism that redistributes the control and data flow of the original DNN programs during the compilation process. Specifically, \tool develops program analysis and program transformation techniques to convert a dynamic neural network into multiple sub-neural networks. Each sub-neural network is devoid of conditional statements and is compiled independently. Furthermore, \tool synthesizes a host module that models the control flow of the DyNNs and facilitates the invocation of the sub-neural networks. Our evaluation demonstrates the effectiveness of \tool, achieving a 100\% success rate in compiling all dynamic neural networks. Moreover, the compiled executables generated by \tool exhibit significantly improved performance, running between 1.12times and 20.21times faster than the original DyNNs executed on general-purpose DL frameworks.

Large Language Models (LLMs) have demonstrated impressive capabilities as intelligent agents capable of solving complex problems. However, effective planning in scenarios involving dependencies between API or tool calls-particularly in multi-turn conversations-remains a significant challenge. To address this, we introduce T1, a tool-augmented, multi-domain, multi-turn conversational dataset specifically designed to capture and manage inter-tool dependencies across diverse domains. T1 enables rigorous evaluation of agents' ability to coordinate tool use across nine distinct domains (4 single domain and 5 multi-domain) with the help of an integrated caching mechanism for both short- and long-term memory, while supporting dynamic replanning-such as deciding whether to recompute or reuse cached results. Beyond facilitating research on tool use and planning, T1 also serves as a benchmark for evaluating the performance of open-source language models. We present results powered by T1-Agent, highlighting their ability to plan and reason in complex, tool-dependent scenarios.

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

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

Evaluating the capabilities of large language models (LLMs) in human-LLM interactions remains challenging due to the inherent complexity and openness of dialogue processes. This paper introduces HammerBench, a novel benchmarking framework designed to assess the function-calling ability of LLMs more effectively in such interactions. We model a wide range of real-world user scenarios on mobile devices, encompassing imperfect instructions, diverse question-answer trajectories, intent/argument shifts, and the use of external individual information through pronouns. To construct the corresponding datasets, we propose a comprehensive pipeline that involves LLM-generated data and multiple rounds of human validation, ensuring high data quality. Additionally, we decompose the conversations into function-calling snapshots, enabling a fine-grained evaluation of each turn. We evaluate several popular LLMs using HammerBench and highlight different performance aspects. Our empirical findings reveal that errors in parameter naming constitute the primary factor behind conversation failures across different data types.

Recently, there has been increasing interest in using Large Language Models (LLMs) to construct complex multi-agent systems to perform tasks such as compiling literature reviews, drafting consumer reports, and planning vacations. Many tools and libraries exist for helping create such systems, however none support recursive multi-agent systems -- where the models themselves flexibly decide when to delegate tasks and how to organize their delegation structure. In this work, we introduce ReDel: a toolkit for recursive multi-agent systems that supports custom tool-use, delegation schemes, event-based logging, and interactive replay in an easy-to-use web interface. We show that, using ReDel, we are able to achieve significant performance gains on agentic benchmarks and easily identify potential areas of improvements through the visualization and debugging tools. Our code, documentation, and PyPI package are open-source and free to use under the MIT license.

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

Large Language Models (LLMs) have made remarkable progress in mathematical reasoning, but still continue to struggle with high-precision tasks like numerical computation and formal symbolic manipulation. Integrating external tools has emerged as a promising approach to bridge this gap. Despite recent advances, existing methods struggle with three key challenges: constructing tool-integrated reasoning data, performing fine-grained optimization, and enhancing inference. To overcome these limitations, we propose THOR (Tool-Integrated Hierarchical Optimization via RL). First, we introduce TIRGen, a multi-agent actor-critic-based pipeline for constructing high-quality datasets of tool-integrated reasoning paths, aligning with the policy and generalizing well across diverse models. Second, to perform fine-grained hierarchical optimization, we introduce an RL strategy that jointly optimizes for both trajectory-level problem solving and step-level code generation. This is motivated by our key insight that the success of an intermediate tool call is a strong predictor of the final answer's correctness. Finally, THOR incorporates a self-correction mechanism that leverages immediate tool feedback to dynamically revise erroneous reasoning paths during inference. Our approach demonstrates strong generalization across diverse models, performing effectively in both reasoning and non-reasoning models. It further achieves state-of-the-art performance for models of a similar scale on multiple mathematical benchmarks, while also delivering consistent improvements on code benchmarks. Our code will be publicly available at https://github.com/JingMog/THOR.

The advancement of function-calling agent models requires diverse, reliable, and high-quality datasets. This paper presents APIGen, an automated data generation pipeline designed to synthesize verifiable high-quality datasets for function-calling applications. We leverage APIGen and collect 3,673 executable APIs across 21 different categories to generate diverse function-calling datasets in a scalable and structured manner. Each data in our dataset is verified through three hierarchical stages: format checking, actual function executions, and semantic verification, ensuring its reliability and correctness. We demonstrate that models trained with our curated datasets, even with only 7B parameters, can achieve state-of-the-art performance on the Berkeley Function-Calling Benchmark, outperforming multiple GPT-4 models. Moreover, our 1B model achieves exceptional performance, surpassing GPT-3.5-Turbo and Claude-3 Haiku. We release a dataset containing 60,000 high-quality entries, aiming to advance the field of function-calling agent domains. The dataset is available on Huggingface: https://huggingface.co/datasets/Salesforce/xlam-function-calling-60k and the project homepage: https://apigen-pipeline.github.io/

We introduce MSC-Bench, a large-scale benchmark for evaluating multi-hop, end-to-end tool orchestration by LLM agents in a hierarchical Model-Context Protocol (MCP) ecosystem. Existing benchmarks often evaluate tools in isolation, ignoring challenges such as functional overlap and cross-server orchestration, leading to overly optimistic assessments. MSC-Bench addresses these gaps by constructing ground truth through 'equal function sets', allowing objective metrics such as F1 score and reducing the dependency on LLM-as-a-judge evaluation. Organized as a five-level curriculum, it systematically tests agent capabilities from single-tool orchestration to complex cross-server planning, and robustness to out-of-scope requests. Experiments reveal that rigid hierarchies can hinder performance without co-designed strategies, and even state-of-the-art agents exhibit systemic weaknesses in robustness. MSC-Bench provides a diagnostic framework to expose these limitations and guide the development of more capable and efficient tool-using agents. The benchmark and resources are publicly available at https://github.com/snooow1029/MSC_Bench.

Recent large language models (LLMs) advancements sparked a growing research interest in tool assisted LLMs solving real-world challenges, which calls for comprehensive evaluation of tool-use capabilities. While previous works focused on either evaluating over stateless web services (RESTful API), based on a single turn user prompt, or an off-policy dialog trajectory, ToolSandbox includes stateful tool execution, implicit state dependencies between tools, a built-in user simulator supporting on-policy conversational evaluation and a dynamic evaluation strategy for intermediate and final milestones over an arbitrary trajectory. We show that open source and proprietary models have a significant performance gap, and complex tasks like State Dependency, Canonicalization and Insufficient Information defined in ToolSandbox are challenging even the most capable SOTA LLMs, providing brand-new insights into tool-use LLM capabilities. ToolSandbox evaluation framework is released at https://github.com/apple/ToolSandbox

Augmenting large language models (LLMs) with external tools is a promising approach to enhance their capabilities. Effectively leveraging this potential for complex tasks hinges crucially on improving their ability to use tools. Synthesizing tool use data by simulating the real world is an effective approach. Nevertheless, our investigation reveals that training gains significantly decay as the scale of these data increases. The primary factor is the model's poor performance (a.k.a deficiency) in complex scenarios, which hinders learning from data using SFT. Driven by this objective, we propose an iterative reinforced fine-tuning strategy to continually guide the model to alleviate it. Specifically, we first identify deficiency-related data based on feedback from the policy model, then perform a Monte Carlo Tree Search to collect fine-grained preference pairs to pinpoint deficiencies. Subsequently, we update the policy model using preference optimization to align with ground truth and misalign with deficiencies. This process can be iterated. Moreover, before the iteration, we propose an easy-to-hard warm-up SFT strategy to facilitate learning from challenging data. The experiments demonstrate our models go beyond the same parametric models, outperforming many larger open-source and closed-source models. Additionally, it has achieved notable training gains in complex tool use scenarios.

AI scientists are emerging computational systems that serve as collaborative partners in discovery. These systems remain difficult to build because they are bespoke, tied to rigid workflows, and lack shared environments that unify tools, data, and analyses into a common ecosystem. In omics, unified ecosystems have transformed research by enabling interoperability, reuse, and community-driven development; AI scientists require comparable infrastructure. We present ToolUniverse, an ecosystem for building AI scientists from any language or reasoning model, whether open or closed. TOOLUNIVERSE standardizes how AI scientists identify and call tools, integrating more than 600 machine learning models, datasets, APIs, and scientific packages for data analysis, knowledge retrieval, and experimental design. It automatically refines tool interfaces for correct use by AI scientists, creates new tools from natural language descriptions, iteratively optimizes tool specifications, and composes tools into agentic workflows. In a case study of hypercholesterolemia, ToolUniverse was used to create an AI scientist to identify a potent analog of a drug with favorable predicted properties. The open-source ToolUniverse is available at https://aiscientist.tools.

Tool use is a hallmark of advanced intelligence, exemplified in both animal behavior and robotic capabilities. This paper investigates the feasibility of imbuing robots with the ability to creatively use tools in tasks that involve implicit physical constraints and long-term planning. Leveraging Large Language Models (LLMs), we develop RoboTool, a system that accepts natural language instructions and outputs executable code for controlling robots in both simulated and real-world environments. RoboTool incorporates four pivotal components: (i) an "Analyzer" that interprets natural language to discern key task-related concepts, (ii) a "Planner" that generates comprehensive strategies based on the language input and key concepts, (iii) a "Calculator" that computes parameters for each skill, and (iv) a "Coder" that translates these plans into executable Python code. Our results show that RoboTool can not only comprehend explicit or implicit physical constraints and environmental factors but also demonstrate creative tool use. Unlike traditional Task and Motion Planning (TAMP) methods that rely on explicit optimization, our LLM-based system offers a more flexible, efficient, and user-friendly solution for complex robotics tasks. Through extensive experiments, we validate that RoboTool is proficient in handling tasks that would otherwise be infeasible without the creative use of tools, thereby expanding the capabilities of robotic systems. Demos are available on our project page: https://creative-robotool.github.io/.

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

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

Enhancing large language models (LLMs) with real-time APIs can help generate more accurate and up-to-date responses. However, evaluating the function calling abilities of LLMs in real-world scenarios remains under-explored due to the complexity of data collection and evaluation. In this work, we introduce ComplexFuncBench, a benchmark for complex function calling across five real-world scenarios. Compared to existing benchmarks, ComplexFuncBench encompasses multi-step and constrained function calling, which requires long-parameter filing, parameter value reasoning, and 128k long context. Additionally, we propose an automatic framework, ComplexEval, for quantitatively evaluating complex function calling tasks. Through comprehensive experiments, we demonstrate the deficiencies of state-of-the-art LLMs in function calling and suggest future directions for optimizing these capabilities. The data and code are available at https://github.com/THUDM/ComplexFuncBench.

We present AlphaApollo, a self-evolving agentic reasoning system that aims to address two bottlenecks in foundation model (FM) reasoning-limited model-intrinsic capacity and unreliable test-time iteration. AlphaApollo orchestrates multiple models with professional tools to enable deliberate, verifiable reasoning. It couples (i) a computation tool (Python with numerical and symbolic libraries) and (ii) a retrieval tool (task-relevant external information) to execute exact calculations and ground decisions. The system further supports multi-round, multi-model solution evolution via a shared state map that records candidates, executable checks, and feedback for iterative refinement. In evaluations on AIME 2024/2025 across multiple models, AlphaApollo delivers consistent gains: +5.15% Average@32 and +23.34% Pass@32 for Qwen2.5-14B-Instruct, and +8.91% Average@32 with +26.67% Pass@32 for Llama-3.3-70B-Instruct. Tool-use analysis shows that more than 80% of tool calls are successfully executed, with consistent outperformance of non-tool baselines, thereby lifting the capability ceiling of FMs. More empirical results and implementation details will be updated at https://github.com/tmlr-group/AlphaApollo.

Recently, the emergence of agentic RL has showcased that RL could also effectively improve the agentic reasoning ability of LLMs, yet the key design principles and optimal practices remain unclear. In this work, we conduct a comprehensive and systematic investigation to demystify reinforcement learning in agentic reasoning from three key perspectives: data, algorithm, and reasoning mode. We highlight our key insights: (i) Replacing stitched synthetic trajectories with real end-to-end tool-use trajectories yields a far stronger SFT initialization; high-diversity, model-aware datasets sustain exploration and markedly improve RL performance. (ii) Exploration-friendly techniques are crucial for agentic RL, such as clip higher, overlong reward shaping, and maintaining adequate policy entropy could improve the training efficiency. (iii) A deliberative strategy with fewer tool calls outperforms frequent tool calls or verbose self-reasoning, improving tool efficiency and final accuracy. Together, these simple practices consistently enhance agentic reasoning and training efficiency, achieving strong results on challenging benchmarks with smaller models, and establishing a practical baseline for future agentic RL research. Beyond these empirical insights, we further contribute a high-quality, real end-to-end agentic SFT dataset along with a high-quality RL dataset, and demonstrate the effectiveness of our insights in boosting the agentic reasoning ability of LLMs across four challenging benchmarks, including AIME2024/AIME2025, GPQA-Diamond, and LiveCodeBench-v6. With our recipes, 4B-sized models could also achieve superior agentic reasoning performance compared to 32B-sized models. Code and models: https://github.com/Gen-Verse/Open-AgentRL

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

Instruct (or "chat") tuned models have become the primary way in which most people interact with large language models. As opposed to "base" or "foundation" models, instruct-tuned models are optimized to respond to imperative statements. We present Hermes 3, a neutrally-aligned generalist instruct and tool use model with strong reasoning and creative abilities. Its largest version, Hermes 3 405B, achieves state of the art performance among open weight models on several public benchmarks.

Through the integration of external tools, large language models (LLMs) such as GPT-4o and Llama 3.1 significantly expand their functional capabilities, evolving from elementary conversational agents to general-purpose assistants. We argue that the primary drivers of these advancements are the quality and diversity of the training data. However, the existing LLMs with external tool integration provide only limited transparency regarding their datasets and data collection methods, which has led to the initiation of this research. Specifically, in this paper, our objective is to elucidate the detailed process involved in constructing datasets that empower LLMs to effectively learn how to utilize external tools and make this information available to the public through the introduction of ToolBridge. ToolBridge proposes to employ a collection of general open-access datasets as its raw dataset pool and applies a series of strategies to identify appropriate data entries from the pool for external tool API insertions. By supervised fine-tuning on these curated data entries, LLMs can invoke external tools in appropriate contexts to boost their predictive accuracy, particularly for basic functions including data processing, numerical computation, and factual retrieval. Our experiments rigorously isolates model architectures and training configurations, focusing exclusively on the role of data. The experimental results indicate that LLMs trained on ToolBridge demonstrate consistent performance improvements on both standard benchmarks and custom evaluation datasets. All the associated code and data will be open-source at https://github.com/CharlesPikachu/ToolBridge, promoting transparency and facilitating the broader community to explore approaches for equipping LLMs with external tools capabilities.

Large Language Models (LLMs) present an intriguing avenue for exploration in the field of formal theorem proving. Nevertheless, their full potential, particularly concerning the mitigation of hallucinations and refinement through prover error messages, remains an area that has yet to be thoroughly investigated. To enhance the effectiveness of LLMs in the field, we introduce the Lyra, a new framework that employs two distinct correction mechanisms: Tool Correction (TC) and Conjecture Correction (CC). To implement Tool Correction in the post-processing of formal proofs, we leverage prior knowledge to utilize predefined prover tools (e.g., Sledgehammer) for guiding the replacement of incorrect tools. Tool Correction significantly contributes to mitigating hallucinations, thereby improving the overall accuracy of the proof. In addition, we introduce Conjecture Correction, an error feedback mechanism designed to interact with prover to refine formal proof conjectures with prover error messages. Compared to the previous refinement framework, the proposed Conjecture Correction refines generation with instruction but does not collect paired (generation, error & refinement) prompts. Our method has achieved state-of-the-art (SOTA) performance on both miniF2F validation (48.0% -> 55.3%) and test (45.5% -> 51.2%). We also present 3 IMO problems solved by Lyra. We believe Tool Correction (post-process for hallucination mitigation) and Conjecture Correction (subgoal adjustment from interaction with environment) could provide a promising avenue for future research in this field.

Tool-Augmented Language Models (TALMs) leverage external APIs to answer user queries across various domains. However, existing benchmark datasets for TALM research often feature simplistic dialogues that do not reflect real-world scenarios, such as the need for models to ask clarifying questions or proactively call additional APIs when essential information is missing. To address these limitations, we construct and release ToolDial, a dataset comprising 11,111 multi-turn dialogues, with an average of 8.95 turns per dialogue, based on APIs from RapidAPI. ToolDial has two key characteristics. First, the dialogues incorporate 16 user and system actions (e.g., "Request", "Clarify", "Fail inform") to capture the rich dynamics of real-world interactions. Second, we simulate dialogues where the system requests necessary information from the user based on API documentation and seeks additional APIs if the user fails to provide the required information. To facilitate this process, we introduce a method for generating an API graph that represents input and output compatibility between APIs. Using ToolDial, we evaluate a suite of language models on their ability to predict correct actions and extract input parameter values for API calls from the dialogue history. Modern language models achieve accuracy scores below 70%, indicating substantial room for improvement. We release our dataset and code at https://github.com/holi-lab/ToolDial.

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.

Foundation model development attracts a rapidly expanding body of contributors, scientists, and applications. To help shape responsible development practices, we introduce the Foundation Model Development Cheatsheet: a growing collection of 250+ tools and resources spanning text, vision, and speech modalities. We draw on a large body of prior work to survey resources (e.g. software, documentation, frameworks, guides, and practical tools) that support informed data selection, processing, and understanding, precise and limitation-aware artifact documentation, efficient model training, advance awareness of the environmental impact from training, careful model evaluation of capabilities, risks, and claims, as well as responsible model release, licensing and deployment practices. We hope this curated collection of resources helps guide more responsible development. The process of curating this list, enabled us to review the AI development ecosystem, revealing what tools are critically missing, misused, or over-used in existing practices. We find that (i) tools for data sourcing, model evaluation, and monitoring are critically under-serving ethical and real-world needs, (ii) evaluations for model safety, capabilities, and environmental impact all lack reproducibility and transparency, (iii) text and particularly English-centric analyses continue to dominate over multilingual and multi-modal analyses, and (iv) evaluation of systems, rather than just models, is needed so that capabilities and impact are assessed in context.

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

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

We present ControlLLM, a novel framework that enables large language models (LLMs) to utilize multi-modal tools for solving complex real-world tasks. Despite the remarkable performance of LLMs, they still struggle with tool invocation due to ambiguous user prompts, inaccurate tool selection and parameterization, and inefficient tool scheduling. To overcome these challenges, our framework comprises three key components: (1) a task decomposer that breaks down a complex task into clear subtasks with well-defined inputs and outputs; (2) a Thoughts-on-Graph (ToG) paradigm that searches the optimal solution path on a pre-built tool graph, which specifies the parameter and dependency relations among different tools; and (3) an execution engine with a rich toolbox that interprets the solution path and runs the tools efficiently on different computational devices. We evaluate our framework on diverse tasks involving image, audio, and video processing, demonstrating its superior accuracy, efficiency, and versatility compared to existing methods.

Pretrained code language models have enabled great progress towards program synthesis. However, common approaches only consider in-file local context and thus miss information and constraints imposed by other parts of the codebase and its external dependencies. Existing code completion benchmarks also lack such context. To resolve these restrictions we curate a new dataset of permissively licensed Python packages that includes full projects and their dependencies and provide tools to extract non-local information with the help of program analyzers. We then focus on the task of function call argument completion which requires predicting the arguments to function calls. We show that existing code completion models do not yield good results on our completion task. To better solve this task, we query a program analyzer for information relevant to a given function call, and consider ways to provide the analyzer results to different code completion models during inference and training. Our experiments show that providing access to the function implementation and function usages greatly improves the argument completion performance. Our ablation study provides further insights on how different types of information available from the program analyzer and different ways of incorporating the information affect the model performance.

Mechanistic interpretability seeks to understand the internal mechanisms of machine learning models, where localization -- identifying the important model components -- is a key step. Activation patching, also known as causal tracing or interchange intervention, is a standard technique for this task (Vig et al., 2020), but the literature contains many variants with little consensus on the choice of hyperparameters or methodology. In this work, we systematically examine the impact of methodological details in activation patching, including evaluation metrics and corruption methods. In several settings of localization and circuit discovery in language models, we find that varying these hyperparameters could lead to disparate interpretability results. Backed by empirical observations, we give conceptual arguments for why certain metrics or methods may be preferred. Finally, we provide recommendations for the best practices of activation patching going forwards.

LLMs have shown remarkable capabilities, but precisely controlling their response behavior remains challenging. Existing activation steering methods alter LLM behavior indiscriminately, limiting their practical applicability in settings where selective responses are essential, such as content moderation or domain-specific assistants. In this paper, we propose Conditional Activation Steering (CAST), which analyzes LLM activation patterns during inference to selectively apply or withhold activation steering based on the input context. Our method is based on the observation that different categories of prompts activate distinct patterns in the model's hidden states. Using CAST, one can systematically control LLM behavior with rules like "if input is about hate speech or adult content, then refuse" or "if input is not about legal advice, then refuse." This allows for selective modification of responses to specific content while maintaining normal responses to other content, all without requiring weight optimization. We release an open-source implementation of our framework at github.com/IBM/activation-steering .

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 language models have demonstrated strong capabilities, but their reliance on live API access creates scalability and reliability challenges during training and deployment. We propose MTR, a simulation-first training framework for tool-augmented reasoning. Instead of relying on live APIs, MTR learns from complete ReAct traces with schema-validated, simulated observations. Our approach operates through a multi-agent architecture where a ToolMaker generates task-specific, OpenAI-compatible tool interfaces, an AutoAgent produces structured think-act-observe sequences, and a ToolActor simulates realistic responses. Training proceeds in two stages: Stage-1 Supervised Fine-Tuning (SFT) teaches 'trace grammar' from complete reasoning sequences; Stage-2 Group Relative Policy Optimization (GRPO) optimizes strategy with a composite trace reward that balances answer correctness and internal consistency. Across four multi-hop QA benchmarks (HotpotQA, MuSiQue, 2WikiMultiHopQA, Bamboogle), MTR attains competitive Exact Match (EM) scores to live-API systems and excels on reasoning-intensive tasks, suggesting that effective tool reasoning can be learned from structured traces without live interactions.

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

Interpretability research aims to bridge the gap between empirical success and our scientific understanding of the inner workings of large language models (LLMs). However, most existing research focuses on analyzing a single mechanism, such as how models copy or recall factual knowledge. In this work, we propose a formulation of competition of mechanisms, which focuses on the interplay of multiple mechanisms instead of individual mechanisms and traces how one of them becomes dominant in the final prediction. We uncover how and where mechanisms compete within LLMs using two interpretability methods: logit inspection and attention modification. Our findings show traces of the mechanisms and their competition across various model components and reveal attention positions that effectively control the strength of certain mechanisms. Code: https://github.com/francescortu/comp-mech. Data: https://huggingface.co/datasets/francescortu/comp-mech.

Recent code large language models (LLMs) have shown promising performance in generating standalone functions but face limitations in repository-level code generation due to their lack of awareness of repository-level dependencies (e.g., user-defined attributes), resulting in dependency errors such as undefined-variable and no-member errors. In this work, we introduce ToolGen, an approach that integrates autocompletion tools into the code LLM generation process to address these dependencies. ToolGen comprises two main phases: Trigger Insertion and Model Fine-tuning (Offline), and Tool-integrated Code Generation (Online). During the offline phase, ToolGen augments functions within a given code corpus with a special mark token, indicating positions to trigger autocompletion tools. These augmented functions, along with their corresponding docstrings, are then used to fine-tune a selected code LLM. In the online phase, ToolGen iteratively generates functions by predicting tokens step-by-step using the fine-tuned LLM. Whenever a mark token is encountered, ToolGen invokes the autocompletion tool to suggest code completions and selects the most appropriate one. We conduct comprehensive experiments to evaluate ToolGen's effectiveness in repository-level code generation. To facilitate this evaluation, we create a benchmark comprising 680 real-world code repositories and introduce two new repository-level metrics: Dependency Coverage and Static Validity Rate. The results demonstrate that ToolGen significantly improves Dependency Coverage by 15.2% to 45.8% and Static Validity Rate by 10.9% to 42.2% across three distinct code LLMs, while maintaining competitive performance in widely-recognized similarity metrics. Furthermore, our generalizability evaluation confirms ToolGen's consistent performance when applied to diverse code LLMs, including various model architectures and scales.

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

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

Large language models (LLMs) achieve remarkable advancements by leveraging tools to interact with external environments, a critical step toward generalized AI. However, the standard supervised fine-tuning (SFT) approach, which relies on large-scale datasets, often overlooks task-specific characteristics in tool use, leading to performance bottlenecks. To address this issue, we analyze three existing LLMs and uncover key insights: training data can inadvertently impede tool-use behavior, token importance is distributed unevenly, and errors in tool calls fall into a small set of distinct categories. Building on these findings, we propose TL-Training, a task-feature-based framework that mitigates the effects of suboptimal training data, dynamically adjusts token weights to prioritize key tokens during SFT, and incorporates a robust reward mechanism tailored to error categories, optimized through proximal policy optimization. We validate TL-Training by training CodeLLaMA-2-7B and evaluating it on four diverse open-source test sets. Our results demonstrate that the LLM trained by our method matches or surpasses both open- and closed-source LLMs in tool-use performance using only 1,217 training data points. Additionally, our method enhances robustness in noisy environments and improves general task performance, offering a scalable and efficient paradigm for tool-use training in LLMs. The code and data are available at https://github.com/Junjie-Ye/TL-Training.