Daily Papers

The Model Context Protocol (MCP) plays a crucial role in extending the capabilities of Large Language Models (LLMs) by enabling integration with external tools and data sources. However, the standard MCP specification presents significant security vulnerabilities, notably Tool Poisoning and Rug Pull attacks. This paper introduces the Enhanced Tool Definition Interface (ETDI), a security extension designed to fortify MCP. ETDI incorporates cryptographic identity verification, immutable versioned tool definitions, and explicit permission management, often leveraging OAuth 2.0. We further propose extending MCP with fine-grained, policy-based access control, where tool capabilities are dynamically evaluated against explicit policies using a dedicated policy engine, considering runtime context beyond static OAuth scopes. This layered approach aims to establish a more secure, trustworthy, and controllable ecosystem for AI applications interacting with LLMs and external tools.

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

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

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.

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.

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 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.

Most existing embodied intelligence methods formulate perception, reasoning, planning, and control within a unified parameterized policy. Yet these capabilities are inherently hierarchical and heterogeneous, making them difficult to reliably learn and modularize within a single model. We propose a capability externalization approach that decouples heterogeneous capabilities into independently optimized tools, dynamically invoked at inference time. To this end, we introduce Embodied Tool Protocol (ETP), a standardized protocol for embodied tool registration, discovery, invocation, and execution, and curate 100+ validated tools spanning perception, cognition, reasoning, and execution as the tool base. Building on this, we construct EmbodiedToolBench to evaluate both whether tool augmentation improves embodied performance and how well current models use tools across tool-necessity recognition, tool selection, tool execution, and tool-chain composition. Experiments across simulation and real-world platforms confirm that capability externalization consistently improves embodied performance (avg. gain 31% on EB-ALFRED and 36% on EB-Navigation), yet reveal a clear boundary: gains are substantial for cognition and perception but are limited for execution-type capabilities. Moreover, our analysis reveals that knowing when, which, and how to invoke tools remains a persistent challenge across all models, thereby highlighting embodied tool competence as a critical direction for future research.

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

This paper describes the design, implementation, and evaluation of a browser extension that provides contextual help to users who hover over technological acronyms and abbreviations on web pages. The extension combines a curated technical dictionary with OpenAI's large language model (LLM) to deliver on-demand definitions through lightweight tooltip overlays. A dual-layer artificial intelligence (AI) pipeline, comprising Google Cloud's Natural Language Processing (NLP) taxonomy API and OpenAI's ChatGPT, classifies each visited page as technology-related before activating the tooltip logic, thereby reducing false-positive detections. A mixed-methods study with 25 participants evaluated the tool's effect on reading comprehension and information-retrieval time among users with low to intermediate digital literacy. Results show that 92% of participants reported improved understanding of technical terms, 96% confirmed time savings over manual web searches, and all participants found the tooltips non-disruptive. Dictionary-based definitions were appended in an average of 2135 ms, compared to 16429 ms for AI-generated definitions and a mean manual search time of 17200 ms per acronym. The work demonstrates a practical, real-time approach to bridging the digital literacy gap and points toward extending contextual help to other domains such as medicine, law, and finance.

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) 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.

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.

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

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 Model (LLM) Agents leverage the advanced reasoning capabilities of LLMs in real-world applications. To interface with an environment, these agents often rely on tools, such as web search or database APIs. As the agent provides the LLM with tool documentation along the user query, the completeness and correctness of this documentation is critical. However, tool documentation is often over-, under-, or ill-specified, impeding the agent's accuracy. Standard software testing approaches struggle to identify these errors as they are expressed in natural language. Thus, despite its importance, there currently exists no automated method to test the tool documentation for agents. To address this issue, we present ToolFuzz, the first method for automated testing of tool documentations. ToolFuzz is designed to discover two types of errors: (1) user queries leading to tool runtime errors and (2) user queries that lead to incorrect agent responses. ToolFuzz can generate a large and diverse set of natural inputs, effectively finding tool description errors at a low false positive rate. Further, we present two straightforward prompt-engineering approaches. We evaluate all three tool testing approaches on 32 common LangChain tools and 35 newly created custom tools and 2 novel benchmarks to further strengthen the assessment. We find that many publicly available tools suffer from underspecification. Specifically, we show that ToolFuzz identifies 20x more erroneous inputs compared to the prompt-engineering approaches, making it a key component for building reliable AI agents.

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

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

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

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

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.

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

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

We present FIND, a generalized interface for aligning foundation models' embeddings. As shown in teaser figure, a lightweight transformer interface without tuning any foundation model weights is enough for a unified image (segmentation) and dataset-level (retrieval) understanding. The proposed interface has the following favorable attributes: (1) Generalizable. It applies to various tasks spanning retrieval, segmentation, etc., under the same architecture and weights. (2) Prototypable. Different tasks are able to be implemented through prototyping attention masks and embedding types. (3) Extendable. The proposed interface is adaptive to new tasks, and new models. (4) Interleavable. With the benefit of multi-task multi-modal training, the proposed interface creates an interleaved shared embedding space. In light of the interleaved embedding space, we introduce the FIND-Bench, which introduces new training and evaluation annotations to the COCO dataset for interleave segmentation and retrieval. Our approach achieves state-of-the-art performance on FIND-Bench and competitive performance on standard retrieval and segmentation settings. The training, evaluation, and demo code as well as the dataset have been released at https://github.com/UX-Decoder/FIND.

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.

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

Recent 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.

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

Large language models (LLMs) have the remarkable ability to solve new tasks with just a few examples, but they need access to the right tools. Retrieval Augmented Generation (RAG) addresses this problem by retrieving a list of relevant tools for a given task. However, RAG's tool retrieval step requires all the required information to be explicitly present in the query. This is a limitation, as semantic search, the widely adopted tool retrieval method, can fail when the query is incomplete or lacks context. To address this limitation, we propose Context Tuning for RAG, which employs a smart context retrieval system to fetch relevant information that improves both tool retrieval and plan generation. Our lightweight context retrieval model uses numerical, categorical, and habitual usage signals to retrieve and rank context items. Our empirical results demonstrate that context tuning significantly enhances semantic search, achieving a 3.5-fold and 1.5-fold improvement in Recall@K for context retrieval and tool retrieval tasks respectively, and resulting in an 11.6% increase in LLM-based planner accuracy. Additionally, we show that our proposed lightweight model using Reciprocal Rank Fusion (RRF) with LambdaMART outperforms GPT-4 based retrieval. Moreover, we observe context augmentation at plan generation, even after tool retrieval, reduces hallucination.

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

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.

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.

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.

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

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

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.

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

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

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.

The CAD design process includes a number of repetitive steps when creating assemblies. This issue is compounded when engineering whole product lines or design families, as steps like inserting parts common to all variations, such as fasteners and product-integral base parts, get repeated numerous times. This makes creating designs time-, and as a result, cost-intensive. While many CAD software packages have APIs, the effort of creating use-case specific plugins to automate creation of assemblies usually outweighs the benefit. We developed a plugin for the CAD software package "Fusion 360" which tackles this issue. The plugin adds several graphical interfaces to Fusion 360 that allow parts to be annotated with types, subtype hierarchies to be managed, and requests to synthesize assembly programs for assemblies to be posed. The plugin is use-case agnostic and is able to generate arbitrary open kinematic chain structures. We envision engineers working with CAD software being able to make designed parts reusable and automate the generation of different design alternatives as well as whole product lines.

The FAIR (Findable, Accessible, Interoperable, and Reusable) data principles [1] promote the interoperability of scientific data by encouraging the use of persistent identifiers, standardized vocabularies, and formal metadata structures. Many resources are created using vocabularies that are FAIR-compliant and well-annotated, yet the collective ecosystem of these resources often fails to interoperate effectively in practice. This continued challenge is mainly due to variation in identifier schemas and data models used in these resources. We have created two tools to bridge the chasm between interoperability in principle and interoperation in practice. Babel solves the problem of multiple identifier schemes by producing a curated set of identifier mappings to create cliques of equivalent identifiers that are exposed through high-performance APIs. ORION solves the problems of multiple data models by ingesting knowledge bases and transforming them into a common, community-managed data model. Here, we describe Babel and ORION and demonstrate their ability to support data interoperation. A library of fully interoperable knowledge bases created through the application of Babel and ORION is available for download and use at https://robokop.renci.org.

Tool use has become central to modern LLM agents, yet interface design is rarely isolated as an experimental variable. This paper studies whether schema based tool contracts and structured validation diagnostics improve reliability under strict interaction budgets. We evaluate three conditions that preserve identical tool semantics and information content: free form documentation, JSON Schema specifications, and JSON Schema with structured diagnostics. We implement a deterministic software engineering sandbox with logs, metrics, configurations, and repository tasks, and evaluate a fully crossed pilot with one open local model, three seeds, three interface conditions, and four budgets. We report end task success, interface misuse, execution failures, semantic misuse, recovery behavior, and overhead. In this pilot, success remains zero across conditions, while schema conditions reduce interface misuse but not semantic misuse. The evidence supports a precise interpretation that interface formalization improves contract adherence, but semantic action quality and timeout sensitive tasks remain dominant bottlenecks under constrained local inference.

Interface design can directly influence trustworthiness of a software. Thereby, it affects users' intention to use a tool. Previous research on user trust has not comprehensively addressed user interface design, though. We lack an understanding of what makes interfaces trustworthy (1), as well as actionable measures to improve trustworthiness (2). We contribute to this by addressing both gaps. Based on a systematic literature review, we give a thorough overview over the theory on user trust and provide a taxonomy of factors influencing user interface trustworthiness. Then, we derive concrete measures to address these factors in interface design. We use the results to create a proof of concept interface. In a preliminary evaluation, we compare a variant designed to elicit trust with one designed to reduce it. Our results show that the measures we apply can be effective in fostering trust in users.

Hybrid computer-use agents can act through screenshots or call text tools. We find that having a tool available does not settle which way the effect goes. Under one identical GUI-MCP harness on the OSWorld-MCP benchmark (309 tasks), the same MCP tools improve a reasoning model by +4.0pp and degrade a non-reasoning model by -5.9pp (5 runs each, both beyond 2 SE). What separates the two is tool-decision behavior. The non-reasoning policy ignores, misnames, or falsely terminates around tools. The reasoning model avoids these failures, yet still calls a tool on only 55/309 tasks, 23.9% of the tool-reachable ones. We call this shortfall the adoption gap. Both levels of the problem share one cause: the model already has a cheaper route and is never trained to take it. Multi-turn RL probes that cause. At the action level, a dense tool bonus raises spreadsheet adoption 0.03 -> 0.33 and carries into greedy decoding, but held-out accuracy does not follow. Behavior is steerable; competence is not. The bottleneck lies in tool-call semantics. At the context level, a successful tool call often makes the next screenshot redundant. Dropping it and halving image history cuts input tokens by about a third, at a small accuracy cost. Retraining under the same observation rule removes that cost. The compressed agent then reaches 37.8% against 33.0% for the uncompressed operating point, at 53% of the input cost, and closes the rich-lean gap on a pre-registered degraded subset to zero. Tools help when the model chooses and integrates them, and current hybrid agents leave many such choices unused. Code and checkpoints: https://github.com/redai-infra/hybrid-routing-agent

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.

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.

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.

In many applications, retrieval-augmented generation (RAG) drives tool use and function calling by embedding the (user) queries and matching them to pre-specified tool/function descriptions. In this paper, we address an embedding misalignment issue that often arises in practical applications due to imperfect embedding models or noisy descriptions; such misalignment may lead to incorrect retrieval and task failure. We introduce Online-Optimized RAG, a deployment-time framework that continually adapts retrieval embeddings from live interactions using minimal feedback (e.g., task success). Online-Optimized RAG applies lightweight online gradient updates with negligible per-query latency and requires no changes to the underlying LLM. The method is plug-and-play: it supports both single- and multi-hop tool use, dynamic tool inventories, and K-retrieval with re-ranking. We provide a problem-dependent theoretical analysis that quantifies how the method's performance depends on the initialization quality of the embeddings and other related quantities. Across diverse tool-use and document-retrieval scenarios, our Online-Optimized RAG consistently improves tool selection accuracy and end-task success, thus providing a simple, practical path to robust, self-improving RAG systems.

Tool-augmented language models are bounded by the APIs humans bothered to write; existing tool-creation systems patch this by prompting a frozen LLM at inference time, leaving the model that writes a tool decoupled from the one that uses it, with no signal that the schemas it produces are schemas it can invoke. We propose SMITH (Schema-grounded Multi-task Iterative Tool Honing), a reinforcement learning framework that jointly trains tool creation and tool use inside a single policy. Each rollout is either a build task (write a tool from a few examples) or a use task (invoke a pooled tool on a held-out question). Three separate reward axes catch schema, code, and outcome failures independently, so each failure mode contributes its own gradient. A 4B Qwen3 trained with SMITH on 13 procedural reasoning tasks with exact verifiers reaches 79.8 macro-average accuracy on held-out tasks, the best across all evaluated methods and ahead of an untrained 30B-A3B tool-writer. It also reaches 40.4 on TabMWP-Hard and 42.6 on out-of-domain GQA (+7.6 over the best same-backbone inference-time baseline), without any visual or tabular training data. Tools written by our 4B models also lifted the performance of LFM-2.5-350M and Qwen3-30B-A3B under same reasoning tasks.

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

This study examined code issue detection and revision automation by integrating Large Language Models (LLMs) such as OpenAI's GPT-3.5 Turbo and GPT-4o into software development workflows. A static code analysis framework detects issues such as bugs, vulnerabilities, and code smells within a large-scale software project. Detailed information on each issue was extracted and organized to facilitate automated code revision using LLMs. An iterative prompt engineering process is applied to ensure that prompts are structured to produce accurate and organized outputs aligned with the project requirements. Retrieval-augmented generation (RAG) is implemented to enhance the relevance and precision of the revisions, enabling LLM to access and integrate real-time external knowledge. The issue of LLM hallucinations - where the model generates plausible but incorrect outputs - is addressed by a custom-built "Code Comparison App," which identifies and corrects erroneous changes before applying them to the codebase. Subsequent scans using the static code analysis framework revealed a significant reduction in code issues, demonstrating the effectiveness of combining LLMs, static analysis, and RAG to improve code quality, streamline the software development process, and reduce time and resource expenditure.

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

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.

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

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.

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

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

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

Tool-use capability is a fundamental component of LLM agents, enabling them to interact with external systems through structured function calls. However, existing research exhibits inconsistent interaction representations, largely overlooks the structural distribution of tool-use trajectories, and relies on incompatible evaluation benchmarks. We present UniToolCall, a unified framework for tool learning that standardizes the entire pipeline from toolset construction and dataset generation to evaluation. The framework curates a large tool pool of 22k+ tools and constructs a hybrid training corpus of 390k+ instances by combining 10 standardized public datasets with structurally controlled synthetic trajectories. It explicitly models diverse interaction patterns, including single-hop vs. multi-hop and single-turn vs. multi-turn, while capturing both serial and parallel execution structures. To support coherent multi-turn reasoning, we further introduce an Anchor Linkage mechanism that enforces cross-turn dependencies. Furthermore, we convert 7 public benchmarks into a unified Query--Action--Observation--Answer (QAOA) representation with fine-grained evaluation at the function-call, turn, and conversation levels. Experiments show that fine-tuning Qwen3-8B on our dataset substantially improves tool-use performance. Under the distractor-heavy Hybrid-20 setting, achieves 93.0% single-turn Strict Precision, outperforming commercial models including GPT, Gemini, and Claude.

Large Language Models (LLMs) enhance their problem-solving capability by utilizing external tools. However, in open-world scenarios with massive and evolving tool repositories, existing methods relying on static embedding retrieval or parameter memorization of tools struggle to align user intent with tool semantics or generalize to unseen tools, respectively, leading to suboptimal accuracy of open-world tool retrieval and execution. To address these, we present ToolOmni, a unified agentic framework that enables LLMs for open-world tool use by proactive retrieval and grounded execution within a reasoning loop. First, we construct a cold-start multi-turn interaction dataset to instill foundational agentic capabilities via Supervised Fine-Tuning (SFT). Then, we introduce open-world tool learning based on a Decoupled Multi-Objective GRPO algorithm, which simultaneously optimizes LLMs for both tool retrieval accuracy and execution efficacy in online environments. Extensive experiments demonstrate that ToolOmni achieves state-of-the-art performance both in retrieval and execution, surpassing strong baselines by a significant margin of +10.8% in end-to-end execution success rate, while exhibiting exceptional robustness and generalization capabilities.

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

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

Tool retrieval determines which external tools are exposed to an LLM agent for a user query or task, making retrieval a critical pre-execution safety boundary. Unlike document retrieval, tool retrieval exposes executable actions: a tool that is useful for one task may be unnecessary or risky for another. However, existing tool-retrieval methods primarily optimize semantic relevance, and safety evaluations often focus on failures after tool execution rather than risks introduced during retrieval. We study risk-aware tool retrieval, where the goal is to retrieve useful tools while reducing exposure to higher-risk tools. We propose a lightweight reranking framework on top of a frozen first-stage retriever. The framework models query-conditioned relevance and tool-level exposure risk separately, combines them through an explicit parameter controlling the tradeoff between safety and utility, smooths scores over a ToolGraph, and optionally applies rule-based safety constraints. To support retrieval-time safety evaluation, we annotate 6,108 tools across UltraTool and Seal-Tools with five ordinal risk levels and define metrics that measure risky-tool exposure in the top-k results. Experiments on UltraTool and Seal-Tools show that our approach improves the relevance--safety tradeoff over relevance-only retrievers and reranking baselines, with the rule-filtered variant providing a conservative operating point for safety-critical deployments. These findings indicate that retrieval-stage filtering can reduce the candidate action space exposed to agents before execution, complementing downstream tool-use safeguards. The code and supplementary materials are available at: https://github.com/qli447/risk-aware-tool-retrieval-release.

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.

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

The revolutionary potential of automatic code generation tools based on Model-Driven Engineering (MDE) frameworks has yet to be realized. Beyond their ability to help software professionals write more accurate, reusable code, they could make programming accessible for a whole new class of non-technical users. However, non-technical users have been slow to embrace these tools. This may be because their concrete syntax is often patterned after the operations of textual or graphical interfaces. The interfaces are common, but users would need more extensive, precise and detailed knowledge of them than they can be assumed to have, to use them as concrete syntax. Conversational interfaces (chatbots) offer a much more accessible way for non-technical users to generate code. In this paper, we discuss the basic challenge of integrating conversational agents within Model-Driven Engineering (MDE) frameworks, then turn to look at a specific application: the auto-generation of smart contract code in multiple languages by non-technical users, based on conversational syntax. We demonstrate how this can be done, and evaluate our approach by conducting user experience survey to assess the usability and functionality of the chatbot framework.

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

The fundamental goal of agentic visual reasoning is to improve the success rate of multimodal large language models (MLLMs) on complex tasks, rather than merely equipping them with a sophisticated yet inefficient reasoning paradigm. In this work, we rethink agentic visual reasoning through two key dimensions of tool use: Mode Adaptiveness (MA) and Tool Effect (TE). Mode Adaptiveness characterizes whether an MLLM can recognize when tools are truly necessary and invoke them accordingly, thereby avoiding unnecessary computational overhead while improving performance on challenging problems that require tool assistance. Tool Effect characterizes the actual impact of tool use: tools should extend the model's capabilities on problems unsolvable through text-only reasoning, while avoiding additional errors on problems that the model can already solve without tools. We conduct a comprehensive analysis to quantify these two properties and empirically reveal that existing agentic visual reasoning models exhibit limited Mode Adaptiveness, while the gains produced by tool use on hard examples are largely offset by the harm introduced on easy examples that the models can already solve. Motivated by these observations, we propose Beacon, a novel agentic visual reasoning model that achieves stronger overall performance, improved Mode Adaptiveness, and genuine tool-induced performance gains. At the core of Beacon are the Necessity-Aware Adaptive Reward and the Hint-Guided Capability Expansion mechanism in the reinforcement learning stage, which respectively encourage adaptive tool invocation based on task necessity and strengthen the model's tool-use capability on the most challenging problems. Extensive experiments across diverse benchmarks demonstrate the strong overall performance of Beacon and its substantial improvements in both Mode Adaptiveness and Tool Effect.

There has been growing interest in building agents that can interact with digital platforms to execute meaningful enterprise tasks autonomously. Among the approaches explored are tool-augmented agents built on abstractions such as Model Context Protocol (MCP) and web agents that operate through graphical interfaces. Yet, it remains unclear whether such complex agentic systems are necessary given their cost and operational overhead. We argue that a coding agent equipped only with a terminal and a filesystem can solve many enterprise tasks more effectively by interacting directly with platform APIs. We evaluate this hypothesis across diverse real-world systems and show that these low-level terminal agents match or outperform more complex agent architectures. Our findings suggest that simple programmatic interfaces, combined with strong foundation models, are sufficient for practical enterprise automation.

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

Integrating external tools into Large Foundation Models (LFMs) has emerged as a promising approach to enhance their problem-solving capabilities. While existing studies have demonstrated strong performance in tool-augmented Visual Question Answering (VQA), recent benchmarks reveal significant gaps in real-world tool-use proficiency, particularly in functionally diverse multimodal settings requiring multi-step reasoning. In this work, we introduce ToolVQA, a large-scale multimodal dataset comprising 23K instances, designed to bridge this gap. Unlike previous datasets that rely on synthetic scenarios and simplified queries, ToolVQA features real-world visual contexts and challenging implicit multi-step reasoning tasks, better aligning with real user interactions. To construct this dataset, we propose ToolEngine, a novel data generation pipeline that employs Depth-First Search (DFS) with a dynamic in-context example matching mechanism to simulate human-like tool-use reasoning. ToolVQA encompasses 10 multimodal tools across 7 diverse task domains, with an average inference length of 2.78 reasoning steps per instance. The fine-tuned 7B LFMs on ToolVQA not only achieve impressive performance on our test set but also surpass the large close-sourced model GPT-3.5-turbo on various out-of-distribution (OOD) datasets, demonstrating strong generalizability to real-world tool-use scenarios.

High-quality, "rich" metadata are essential for making research data findable, interoperable, and reusable. The Center for Expanded Data Annotation and Retrieval (CEDAR) has long addressed this need by providing tools to design machine-actionable metadata templates that encode community standards in a computable form. To make these capabilities more accessible within real-world research workflows, we have developed the CEDAR Embeddable Editor (CEE)-a lightweight, interoperable Web Component that brings structured, standards-based metadata authoring directly into third-party platforms. The CEE dynamically renders metadata forms from machine-actionable templates and produces semantically rich metadata in JSON-LD format. It supports ontology-based value selection via the BioPortal ontology repository, and it includes external authority resolution for persistent identifiers such as ORCIDs for individuals and RORs for research organizations. Crucially, the CEE requires no custom user-interface development, allowing deployment across diverse platforms. The CEE has been successfully integrated into generalist scientific data repositories such as Dryad and the Open Science Framework, demonstrating its ability to support discipline-specific metadata creation. By supporting the embedding of metadata authoring within existing research environments, the CEE can facilitate the adoption of community standards and help improve metadata quality across scientific disciplines.

Conventional recommender systems (RSs) face challenges in precisely capturing users' fine-grained preferences. Large language models (LLMs) have shown capabilities in commonsense reasoning and leveraging external tools that may help address these challenges. However, existing LLM-based RSs suffer from hallucinations, misalignment between the semantic space of items and the behavior space of users, or overly simplistic control strategies (e.g., whether to rank or directly present existing results). To bridge these gap, we introduce ToolRec, a framework for LLM-empowered recommendations via tool learning that uses LLMs as surrogate users, thereby guiding the recommendation process and invoking external tools to generate a recommendation list that aligns closely with users' nuanced preferences. We formulate the recommendation process as a process aimed at exploring user interests in attribute granularity. The process factors in the nuances of the context and user preferences. The LLM then invokes external tools based on a user's attribute instructions and probes different segments of the item pool. We consider two types of attribute-oriented tools: rank tools and retrieval tools. Through the integration of LLMs, ToolRec enables conventional recommender systems to become external tools with a natural language interface. Extensive experiments verify the effectiveness of ToolRec, particularly in scenarios that are rich in semantic content.

User interface (UI) design is an iterative process in which designers progressively refine their work with design software such as Figma or Sketch. Recent advances in vision language models (VLMs) with tool invocation suggest these models can operate design software to edit a UI design through iteration. Understanding and enhancing this capacity is important, as it highlights VLMs' potential to collaborate with designers within conventional software. However, as no existing benchmark evaluates tool-based design performance, the capacity remains unknown. To address this, we introduce CANVAS, a benchmark for VLMs on tool-based user interface design. Our benchmark contains 598 tool-based design tasks paired with ground-truth references sampled from 3.3K mobile UI designs across 30 function-based categories (e.g., onboarding, messaging). In each task, a VLM updates the design step-by-step through context-based tool invocations (e.g., create a rectangle as a button background), linked to design software. Specifically, CANVAS incorporates two task types: (i) design replication evaluates the ability to reproduce a whole UI screen; (ii) design modification evaluates the ability to modify a specific part of an existing screen. Results suggest that leading models exhibit more strategic tool invocations, improving design quality. Furthermore, we identify common error patterns models exhibit, guiding future work in enhancing tool-based design capabilities.

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

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%.

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

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

Large language model (LLM) agents rely on external tools to solve complex tasks, but real-world toolsets often contain redundant tools with overlapping names and descriptions, introducing ambiguity and reducing selection accuracy. LLMs also face strict input context limits, preventing efficient consideration of large toolsets. To address these challenges, we propose ToolScope, which includes: (1) ToolScopeMerger with Auto-Correction to automatically audit and fix tool merges, reducing redundancy, and (2) ToolScopeRetriever to rank and select only the most relevant tools for each query, compressing toolsets to fit within context limits without sacrificing accuracy. Evaluations on three state-of-the-art LLMs and three open-source tool-use benchmarks show gains of 8.38% to 38.6% in tool selection accuracy, demonstrating ToolScope's effectiveness in enhancing LLM tool use.

Large Language Model (LLM) agents rely on external tools to perform multistage tasks. Existing agent frameworks typically assume that tool calls are atomic and return binary success or failure signals. However, real-world systems exhibit non-atomic behaviors such as timeouts after dispatch, delayed visibility, and partial state updates. These mismatches lead to reliability issues including duplicate actions, task success, and unnecessary tool executions. A lightweight, verification-aware tool wrapper is introduced that augments tool calls with postcondition verification, verify-before-retry logic, and idempotency keys. The approach is evaluated in a controlled simulated environment with injected non-atomic failures across multiple task templates. The results demonstrate that the proposed method significantly reduces duplicate actions, while maintaining comparable task success rates. Overall, the findings suggest that strengthening tool interaction semantics is a promising direction for improving LLM agent reliability without requiring modifications to the underlying language model.

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

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

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.

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

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

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

Large Language Models can break through knowledge and timeliness limitations by invoking external tools within the Model Context Protocol framework to achieve automated execution of complex tasks. However, with the rapid growth of enterprise-scale MCP services, efficiently and accurately matching target functionalities among thousands of heterogeneous tools has become a core challenge restricting system practicality. Existing approaches generally rely on full-prompt injection or static semantic retrieval, facing issues including semantic disconnection between user queries and tool descriptions, context inflation in LLM input, and high inference latency. To address these challenges, this paper proposes Z-Space, a data-generation-oriented multi-agent collaborative tool invocation framework Z-Space. The Z-Space framework establishes a multi-agent collaborative architecture and tool filtering algorithm: (1) A structured semantic understanding of user queries is achieved through an intent parsing model; (2) A tool filtering module (FSWW) based on fused subspace weighted algorithm realizes fine-grained semantic alignment between intents and tools without parameter tuning; (3) An inference execution agent is constructed to support dynamic planning and fault-tolerant execution for multi-step tasks. This framework has been deployed in the Eleme platform's technical division, serving large-scale test data generation scenarios across multiple business units including Taotian, Gaode, and Hema. Production data demonstrates that the system reduces average token consumption in tool inference by 96.26\% while achieving a 92\% tool invocation accuracy rate, significantly enhancing the efficiency and reliability of intelligent test data generation systems.

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 .

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

Recent advancements in tool-augmented large language models have enabled them to interact with external tools, enhancing their ability to perform complex user tasks. However, existing approaches overlook the role of personalisation in guiding tool use. This work investigates how user preferences can be effectively integrated into goal-oriented dialogue agents. Through extensive analysis, we identify key weaknesses in the ability of LLMs to personalise tool use. To this end, we introduce TAPS, a novel solution that enhances personalised tool use by leveraging a structured tagging tool and an uncertainty-based tool detector. TAPS significantly improves the ability of LLMs to incorporate user preferences, achieving the new state-of-the-art for open source models on the NLSI task.

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.

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

Tool calling has become increasingly popular for Large Language Models (LLMs). However, for large tool sets, the resulting tokens would exceed the LLM's context window limit, making it impossible to include every tool. Hence, an external retriever is used to provide LLMs with the most relevant tools for a query. Existing retrieval models rank tools based on the similarity between a user query and a tool description (TD). This leads to suboptimal retrieval as user requests are often poorly aligned with the language of TD. To remedy the issue, we propose ToolDreamer, a framework to condition retriever models to fetch tools based on hypothetical (synthetic) TD generated using an LLM, i.e., description of tools that the LLM feels will be potentially useful for the query. The framework enables a more natural alignment between queries and tools within the language space of TD's. We apply ToolDreamer on the ToolRet dataset and show that our method improves the performance of sparse and dense retrievers with and without training, thus showcasing its flexibility. Through our proposed framework, our aim is to offload a portion of the reasoning burden to the retriever so that the LLM may effectively handle a large collection of tools without inundating its context window.

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.

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

Powerful code agents can execute scripts, call tools, and manage files, yet many important applications remain accessible primarily through graphical user interfaces. We argue that screenshot-and-click is an inefficient interface for software-operating agents: screenshots are state-incomplete, and GUI actions are brittle, semantically weak, and poorly matched to long-horizon planning. We introduce ASIL (Agent-Software Interaction Layer), an agent-native interface that exposes software through structured JSON observations and code-executable semantic actions, realized through the deepest feasible access path for each application. We instantiate ASIL across 15 applications and a benchmark of 300 single-application and 80 multi-application tasks. ASIL reaches above 80 with closed models while executing fewer than five actions per task. Under a repaired runtime and a 50-step screenshot budget, the same tasks yield 6.6 and 26.6 strict success under screenshot-and-click control, rising to 15.0 and 53.3 on an easier OSWorld-comparable band. Against application-native interfaces on matched tasks, ASIL exceeds LibreOffice's UNO API by 28-38 strict points but only matches draw.io's MCP content contract. The structured modality also suits training: small-scale SFT raises Qwen3.5-2B from 58.0 to 72.1 and Qwen3.5-9B from 66.6 to 80.4, and resource-limited on-policy RL further raises them to 74.4 and 82.2.

Generative AI (GenAI) has reshaped software system design by introducing foundation models as pre-trained subsystems that redefine architectures and operations. The emerging challenge is no longer model fine-tuning but context engineering-how systems capture, structure, and govern external knowledge, memory, tools, and human input to enable trustworthy reasoning. Existing practices such as prompt engineering, retrieval-augmented generation (RAG), and tool integration remain fragmented, producing transient artefacts that limit traceability and accountability. This paper proposes a file-system abstraction for context engineering, inspired by the Unix notion that 'everything is a file'. The abstraction offers a persistent, governed infrastructure for managing heterogeneous context artefacts through uniform mounting, metadata, and access control. Implemented within the open-source AIGNE framework, the architecture realises a verifiable context-engineering pipeline, comprising the Context Constructor, Loader, and Evaluator, that assembles, delivers, and validates context under token constraints. As GenAI becomes an active collaborator in decision support, humans play a central role as curators, verifiers, and co-reasoners. The proposed architecture establishes a reusable foundation for accountable and human-centred AI co-work, demonstrated through two exemplars: an agent with memory and an MCP-based GitHub assistant. The implementation within the AIGNE framework demonstrates how the architecture can be operationalised in developer and industrial settings, supporting verifiable, maintainable, and industry-ready GenAI systems.

Semantic-ID mappings are reusable interfaces between item tokenizers and generative recommenders, yet released mappings rarely state whether they are coherent, what structure they expose, how generated paths resolve, or what must be revalidated after a refresh. SIDScope is a source-traced diagnostic resource for these decisions. It normalizes item-to-code artifacts, verifies provenance and joins, profiles mapping structure, compares paired revisions, and accounts for path-to-item outcomes in generated traces. Across nine source-traced tokenizer exports from seven families on Amazon and Yelp data - eight executable routes plus one auditable snapshot - SIDScope reveals that interface health is multi-signal rather than scalar. Its central finding is mechanism-conditional: prefix alignment strongly tracks held-out candidate exposure when retrieval consumes SID prefixes, then weakens as scoring becomes prefix-independent. Trained trace accounting exposes a second hidden gap: a valid target path can survive without uniquely retrieving the target item by 1.2-3.0 percentage points. A refresh case establishes a third: repairing the mapping does not by itself restore an inherited generator; model reuse requires a separate handoff check. The package provides frozen evidence summaries, conformance reports, trace labels, table builders, and CPU-only verifiers. It supports decisions about artifact readiness, interface risks, and revalidation before model reuse.

Tool-augmented large language models have advanced from single-turn question answering to deep research workflows that iteratively plan queries, invoke external tools, and synthesize information to address complex information needs. Evaluating such workflows presents a fundamental challenge: reliance on live APIs introduces non-determinism, as tool invocations may yield different results across runs due to temporal drift, rate limiting, and evolving backend states. This variance undermines reproducibility and invalidates cross-system comparisons. We present ScholarGym, a simulation environment for reproducible evaluation of deep research workflows on academic literature. The environment decouples workflow components into query planning, tool invocation, and relevance assessment, enabling fine-grained analysis of each stage under controlled conditions. Built on a static corpus of 570K papers with deterministic retrieval, ScholarGym provides 2,536 queries with expert-annotated ground truth. Experiments across diverse backbone models reveal how reasoning capabilities, planning strategies, and selection mechanisms interact over iterative refinement.

Large Language Models (LLMs) have demonstrated significant potential in decision-making and reasoning, particularly when integrated with various tools to effectively solve complex problems. However, existing benchmarks for evaluating LLMs' tool usage face several limitations: (1) limited evaluation scenarios, often lacking assessments in real multi-turn dialogue contexts; (2) narrow evaluation dimensions, with insufficient detailed assessments of how LLMs use tools; and (3) reliance on LLMs or real API executions for evaluation, which introduces significant overhead. To address these challenges, we introduce ACEBench, a comprehensive benchmark for assessing tool usage in LLMs. ACEBench categorizes data into three primary types based on evaluation methodology: Normal, Special, and Agent. "Normal" evaluates tool usage in basic scenarios; "Special" evaluates tool usage in situations with ambiguous or incomplete instructions; "Agent" evaluates tool usage through multi-agent interactions to simulate real-world, multi-turn dialogues. We conducted extensive experiments using ACEBench, analyzing various LLMs in-depth and providing a more granular examination of error causes across different data types.

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.

Agentic coding assistants are increasingly given extra capabilities, such as browser based testing tools and design oriented system prompts, on the assumption that more capability yields better software. This study tested that assumption directly. Ninety independent agent runs built the same application, a real time retrospective board, from one detailed specification, each scored on a fixed 14 criterion functional rubric (42 point maximum) and a visual quality review. The runs spanned several model generations, two agent harnesses, two reasoning effort levels, a testing tool, and two design oriented prompts. Capability tier dominated: frontier models clustered near the ceiling while a low cost local model fell to 24 to 37 points. A criterion level analysis revealed what run totals conceal. Container deployment was the dominant defect, failing first try in 44 percent of runs, with its failure rate shifting sharply across model generations while mean totals moved less than a point. The testing tool raised cost by 42 to 68 percent without improving functional score or reliability, even on interface visible criteria. Raising reasoning effort from High to xHigh lifted first try perfect runs from 28 percent to 89 percent and cut corrective prompts about five fold, for 9 to 29 percent more cost. A design oriented prompt raised visual quality, 4.5 versus 3.0 on a 5 point scale, without lifting function, and a one paragraph paraphrase of its directive reproduced the entire lift. The practical lesson is to match the fix to the failure: most first run failures came from weak reasoning, which a stronger model or more effort prevents, not from visible flaws a checking tool would catch.

The rise of Large Language Models (LLMs) has streamlined frontend interface creation through tools like Vercel's V0, yet surfaced challenges in design quality (e.g., accessibility, and usability). Current solutions, often limited by their focus, generalisability, or data dependency, fall short in addressing these complexities. Moreover, none of them examine the quality of LLM-generated UI design. In this work, we introduce DesignRepair, a novel dual-stream design guideline-aware system to examine and repair the UI design quality issues from both code aspect and rendered page aspect. We utilised the mature and popular Material Design as our knowledge base to guide this process. Specifically, we first constructed a comprehensive knowledge base encoding Google's Material Design principles into low-level component knowledge base and high-level system design knowledge base. After that, DesignRepair employs a LLM for the extraction of key components and utilizes the Playwright tool for precise page analysis, aligning these with the established knowledge bases. Finally, we integrate Retrieval-Augmented Generation with state-of-the-art LLMs like GPT-4 to holistically refine and repair frontend code through a strategic divide and conquer approach. Our extensive evaluations validated the efficacy and utility of our approach, demonstrating significant enhancements in adherence to design guidelines, accessibility, and user experience metrics.

We present Arkios, a 1.04B-parameter dense transformer pretrained from scratch on 150B tokens of bilingual English-Nepali text, using a custom single-file C/CUDA training stack and a Devanagari-aware byte-level BPE tokenizer built for this project. On ARC-Easy and ARC-Challenge, Arkios exceeds three comparably sized open models (Pythia-1.4B, TinyLlama-1.1B, OLMo-1B) despite an order of magnitude fewer training tokens, likely aided by a match between our educational-web-text pretraining data and ARC's grade-school-science format rather than a general capability advantage. We report full evaluation results under standard protocols, including a correction to an earlier partial-sample estimate, and findings specific to evaluating small models in a low-resource language: the standard multiple-choice-letter prompt format used by common evaluation harnesses places this model at chance on Nepali reading comprehension, and simultaneously at chance on English in the same format, which would lead a naive benchmark run to conclude the model has no Nepali ability when in fact it does. Concretely, both languages score at chance in the letter-choice format (0.240 Nepali, 0.236 English, against a chance baseline of 0.250), while scoring the answer text directly reveals genuine, English-favoring comprehension (0.306 Nepali, 0.387 English). We describe a manifest-conditioned tool-use contract introduced during instruction tuning, where tool calls are permitted only when a tool manifest is declared in context and suppressed otherwise, and report where that contract holds and where it does not. We release both the base and instruction-tuned model weights under Apache-2.0. The training code and a small privately-sourced portion of the Nepali pretraining corpus are not released; everything needed to reproduce the reported numbers from the released weights is included here.

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.

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

Designing user interfaces (UIs) is a critical step when launching products, building portfolios, or personalizing projects, yet end users without design expertise often struggle to articulate their intent and to trust design choices. Existing example-based tools either promote broad exploration, which can cause overwhelm and design drift, or require adapting a single example, risking design fixation. We present UI Remix, an interactive system that supports mobile UI design through an example-driven design workflow. Powered by a multimodal retrieval-augmented generation (MMRAG) model, UI Remix enables iterative search, selection, and adaptation of examples at both the global (whole interface) and local (component) level. To foster trust, it presents source transparency cues such as ratings, download counts, and developer information. In an empirical study with 24 end users, UI Remix significantly improved participants' ability to achieve their design goals, facilitated effective iteration, and encouraged exploration of alternative designs. Participants also reported that source transparency cues enhanced their confidence in adapting examples. Our findings suggest new directions for AI-assisted, example-driven systems that empower end users to design with greater control, trust, and openness to exploration.

Using tools by Large Language Models (LLMs) is a promising avenue to extend their reach beyond language or conversational settings. The number of tools can scale to thousands as they enable accessing sensory information, fetching updated factual knowledge, or taking actions in the real world. In such settings, in-context learning by providing a short list of relevant tools in the prompt is a viable approach. To retrieve relevant tools, various approaches have been suggested, ranging from simple frequency-based matching to dense embedding-based semantic retrieval. However, such approaches lack the contextual and common-sense understanding required to retrieve the right tools for complex user requests. Rather than increasing the complexity of the retrieval component itself, we propose leveraging LLM understanding to generate a retrieval query. Then, the generated query is embedded and used to find the most relevant tools via a nearest-neighbor search. We investigate three approaches for query generation: zero-shot prompting, supervised fine-tuning on tool descriptions, and alignment learning by iteratively optimizing a reward metric measuring retrieval performance. By conducting extensive experiments on a dataset covering complex and multi-tool scenarios, we show that leveraging LLMs for query generation improves the retrieval for in-domain (seen tools) and out-of-domain (unseen tools) settings.

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

Large Language Models (LLMs) have shown great promise in tool-making, yet existing frameworks often struggle to efficiently construct reliable toolsets and are limited to single-task settings. To address these challenges, we propose GATE (Graph-based Adaptive Tool Evolution), an adaptive framework that dynamically constructs and evolves a hierarchical graph of reusable tools across multiple scenarios. We evaluate GATE on open-ended tasks (Minecraft), agent-based tasks (TextCraft, DABench), and code generation tasks (MATH, Date, TabMWP). Our results show that GATE achieves up to 4.3x faster milestone completion in Minecraft compared to the previous SOTA, and provides an average improvement of 9.23% over existing tool-making methods in code generation tasks and 10.03% in agent tasks. GATE demonstrates the power of adaptive evolution, balancing tool quantity, complexity, and functionality while maintaining high efficiency. Code and data are available at https://github.com/ayanami2003/GATE.

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.

Long-horizon tool agents are bottlenecked by how their context grows toward the limits of the context window. Recent systems make context management agent- or system-controlled, but they either learn a compression policy that discards evidence or manage context in a layer the agent never sees. We argue both leave a more basic gap unaddressed. Frontier language models are proprioceptively blind to their own context. From the prompt alone they cannot see how large, how old, or how used each block is, the signals a keep-or-drop decision needs. We hypothesize that competent context management is already latent in capable models, and that what is missing is not a learned policy but an interface exposing this state. We introduce VISTA (Visible Internal State for Tool Agents), a training-free, model-agnostic layer that represents working memory as typed, addressable blocks, surfaces a runtime dashboard of per-block token usage, recency, and access history, and archives blocks as recoverable full-fidelity payloads. On LOCA-Bench, BrowseComp-Plus, and GAIA, the same untrained interface transfers across million-, 100K-, and 10K-scale trajectories. On LOCA-Bench it improves four backbones and lifts Gemini-3-Flash from 22.7 to 50.7%. The lift grows with context pressure and transfers across backbones. Ablations further confirm that the dashboard matters beyond archive and recovery tools.

The ability to automatically detect and track surgical instruments in endoscopic videos can enable transformational interventions. Assessing surgical performance and efficiency, identifying skilled tool use and choreography, and planning operational and logistical aspects of OR resources are just a few of the applications that could benefit. Unfortunately, obtaining the annotations needed to train machine learning models to identify and localize surgical tools is a difficult task. Annotating bounding boxes frame-by-frame is tedious and time-consuming, yet large amounts of data with a wide variety of surgical tools and surgeries must be captured for robust training. Moreover, ongoing annotator training is needed to stay up to date with surgical instrument innovation. In robotic-assisted surgery, however, potentially informative data like timestamps of instrument installation and removal can be programmatically harvested. The ability to rely on tool installation data alone would significantly reduce the workload to train robust tool-tracking models. With this motivation in mind we invited the surgical data science community to participate in the challenge, SurgToolLoc 2022. The goal was to leverage tool presence data as weak labels for machine learning models trained to detect tools and localize them in video frames with bounding boxes. We present the results of this challenge along with many of the team's efforts. We conclude by discussing these results in the broader context of machine learning and surgical data science. The training data used for this challenge consisting of 24,695 video clips with tool presence labels is also being released publicly and can be accessed at https://console.cloud.google.com/storage/browser/isi-surgtoolloc-2022.

Agentic software-engineering and industrial systems increasingly operate through executable workflows rather than code genera- tion alone: they search artifacts, invoke tools, inspect structured observations, and query databases. Training these agents requires supervision data that captures valid tool interactions and executable workflows. However, traditional query-first data synthesis can fail because plausible user requests may not correspond to valid tool sequences, compatible parameters, or available data. To address this limitation, we propose SyntheticAgentTraceQA, an execution- first framework for generating scalable supervision data for tool- augmented agents. Our framework first constructs high-level work- flow structures, maps them to available tools through dependency- aware assignment, executes and validates the resulting traces in con- trolled environments, and only then synthesizes natural-language user tasks, teacher-generated reasoning annotations, and reference answers. We evaluate the framework across four tool ecosystems and use the resulting data to fine-tune and evaluate Qwen model variants. The results show that execution-grounded supervision improves tool execution behavior, reference-trace agreement, and answer-generation performance on the evaluated tasks. Further analysis reveals a supervision trade-off: masked supervision, which excludes reasoning annotations from the training objective, im- proves final-answer metrics, whereas full supervision, computing loss over the complete assistant output including reasoning tokens, underperforms on answer quality and does not consistently im- prove reference-trace agreement, particularly at the 9B scale. These findings highlight the importance of designing synthetic supervi- sion according to the desired capabilities of tool-augmented 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.