Daily Papers

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

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.

Predicting click and conversion probabilities when bidding on ad exchanges is at the core of the programmatic advertising industry. Two separated lines of previous works respectively address i) the prediction of user conversion probability and ii) the attribution of these conversions to advertising events (such as clicks) after the fact. We argue that attribution modeling improves the efficiency of the bidding policy in the context of performance advertising. Firstly we explain the inefficiency of the standard bidding policy with respect to attribution. Secondly we learn and utilize an attribution model in the bidder itself and show how it modifies the average bid after a click. Finally we produce evidence of the effectiveness of the proposed method on both offline and online experiments with data spanning several weeks of real traffic from Criteo, a leader in performance advertising.

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

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

Large-scale reinforcement learning with verifiable rewards (RLVR) has demonstrated its effectiveness in harnessing the potential of large language models (LLMs) for single-turn reasoning tasks. In realistic reasoning scenarios, LLMs can often utilize external tools to assist in task-solving processes. However, current RL algorithms inadequately balance the models' intrinsic long-horizon reasoning capabilities and their proficiency in multi-turn tool interactions. To bridge this gap, we propose Agentic Reinforced Policy Optimization (ARPO), a novel agentic RL algorithm tailored for training multi-turn LLM-based agents. Through preliminary experiments, we observe that LLMs tend to exhibit highly uncertain behavior, characterized by an increase in the entropy distribution of generated tokens, immediately following interactions with external tools. Motivated by this observation, ARPO incorporates an entropy-based adaptive rollout mechanism, dynamically balancing global trajectory sampling and step-level sampling, thereby promoting exploration at steps with high uncertainty after tool usage. By integrating an advantage attribution estimation, ARPO enables LLMs to internalize advantage differences in stepwise tool-use interactions. Our experiments across 13 challenging benchmarks in computational reasoning, knowledge reasoning, and deep search domains demonstrate ARPO's superiority over trajectory-level RL algorithms. Remarkably, ARPO achieves improved performance using only half of the tool-use budget required by existing methods, offering a scalable solution for aligning LLM-based agents with real-time dynamic environments. Our code and datasets are released at https://github.com/dongguanting/ARPO

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

Advanced Persistent Threat (APT) attribution is a critical challenge in cybersecurity and implies the process of accurately identifying the perpetrators behind sophisticated cyber attacks. It can significantly enhance defense mechanisms and inform strategic responses. With the growing prominence of artificial intelligence (AI) and machine learning (ML) techniques, researchers are increasingly focused on developing automated solutions to link cyber threats to responsible actors, moving away from traditional manual methods. Previous literature on automated threat attribution lacks a systematic review of automated methods and relevant artifacts that can aid in the attribution process. To address these gaps and provide context on the current state of threat attribution, we present a comprehensive survey of automated APT attribution. The presented survey starts with understanding the dispersed artifacts and provides a comprehensive taxonomy of the artifacts that aid in attribution. We comprehensively review and present the classification of the available attribution datasets and current automated APT attribution methods. Further, we raise critical comments on current literature methods, discuss challenges in automated attribution, and direct toward open research problems. This survey reveals significant opportunities for future research in APT attribution to address current gaps and challenges. By identifying strengths and limitations in current practices, this survey provides a foundation for future research and development in automated, reliable, and actionable APT attribution methods.

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

Data attribution seeks to trace model outputs back to training data. With the recent development of diffusion models, data attribution has become a desired module to properly assign valuations for high-quality or copyrighted training samples, ensuring that data contributors are fairly compensated or credited. Several theoretically motivated methods have been proposed to implement data attribution, in an effort to improve the trade-off between computational scalability and effectiveness. In this work, we conduct extensive experiments and ablation studies on attributing diffusion models, specifically focusing on DDPMs trained on CIFAR-10 and CelebA, as well as a Stable Diffusion model LoRA-finetuned on ArtBench. Intriguingly, we report counter-intuitive observations that theoretically unjustified design choices for attribution empirically outperform previous baselines by a large margin, in terms of both linear datamodeling score and counterfactual evaluation. Our work presents a significantly more efficient approach for attributing diffusion models, while the unexpected findings suggest that at least in non-convex settings, constructions guided by theoretical assumptions may lead to inferior attribution performance. The code is available at https://github.com/sail-sg/D-TRAK.

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

This study investigates language models' generative capabilities in tool-use dialogs. We categorize the models' outputs in tool-use dialogs into four distinct types: Tool Call, Answer Completion, Slot Question, and Relevance Detection, which serve as aspects for evaluation. We introduce FunctionChat-Bench, comprising 700 evaluation items and automated assessment programs. Using this benchmark, we evaluate several language models that support function calling. Our findings indicate that while language models may exhibit high accuracy in single-turn Tool Call scenarios, this does not necessarily translate to superior generative performance in multi-turn environments. We argue that the capabilities required for function calling extend beyond generating tool call messages; they must also effectively generate conversational messages that engage the user.

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

The problem of attribution is concerned with identifying the parts of an input that are responsible for a model's output. An important family of attribution methods is based on measuring the effect of perturbations applied to the input. In this paper, we discuss some of the shortcomings of existing approaches to perturbation analysis and address them by introducing the concept of extremal perturbations, which are theoretically grounded and interpretable. We also introduce a number of technical innovations to compute extremal perturbations, including a new area constraint and a parametric family of smooth perturbations, which allow us to remove all tunable hyper-parameters from the optimization problem. We analyze the effect of perturbations as a function of their area, demonstrating excellent sensitivity to the spatial properties of the deep neural network under stimulation. We also extend perturbation analysis to the intermediate layers of a network. This application allows us to identify the salient channels necessary for classification, which, when visualized using feature inversion, can be used to elucidate model behavior. Lastly, we introduce TorchRay, an interpretability library built on PyTorch.

As machine learning and algorithmic decision making systems are increasingly being leveraged in high-stakes human-in-the-loop settings, there is a pressing need to understand the rationale of their predictions. Researchers have responded to this need with explainable AI (XAI), but often proclaim interpretability axiomatically without evaluation. When these systems are evaluated, they are often tested through offline simulations with proxy metrics of interpretability (such as model complexity). We empirically evaluate the veracity of three common interpretability assumptions through a large scale human-subjects experiment with a simple "placebo explanation" control. We find that feature attribution explanations provide marginal utility in our task for a human decision maker and in certain cases result in worse decisions due to cognitive and contextual confounders. This result challenges the assumed universal benefit of applying these methods and we hope this work will underscore the importance of human evaluation in XAI research. Supplemental materials -- including anonymized data from the experiment, code to replicate the study, an interactive demo of the experiment, and the models used in the analysis -- can be found at: https://doi.pizza/challenging-xai.

To develop a trustworthy AI system, which aim to identify the input regions that most influence the models decisions. The primary task of existing attribution methods lies in efficiently and accurately identifying the relationships among input-prediction interactions. Particularly when the input data is discrete, such as images, analyzing the relationship between inputs and outputs poses a significant challenge due to the combinatorial explosion. In this paper, we propose a novel and efficient black-box attribution mechanism, LiMA (Less input is More faithful for Attribution), which reformulates the attribution of important regions as an optimization problem for submodular subset selection. First, to accurately assess interactions, we design a submodular function that quantifies subset importance and effectively captures their impact on decision outcomes. Then, efficiently ranking input sub-regions by their importance for attribution, we improve optimization efficiency through a novel bidirectional greedy search algorithm. LiMA identifies both the most and least important samples while ensuring an optimal attribution boundary that minimizes errors. Extensive experiments on eight foundation models demonstrate that our method provides faithful interpretations with fewer regions and exhibits strong generalization, shows an average improvement of 36.3% in Insertion and 39.6% in Deletion. Our method also outperforms the naive greedy search in attribution efficiency, being 1.6 times faster. Furthermore, when explaining the reasons behind model prediction errors, the average highest confidence achieved by our method is, on average, 86.1% higher than that of state-of-the-art attribution algorithms. The code is available at https://github.com/RuoyuChen10/LIMA.

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

Attribution is a key concept in large language models (LLMs) as it enables control over information sources and enhances the factuality of LLMs. While existing approaches utilize open book question answering to improve attribution, factual datasets may reward language models to recall facts that they already know from their pretraining data, not attribution. In contrast, counterfactual open book QA datasets would further improve attribution because the answer could only be grounded in the given text. We propose Hallucination Augmented Recitations (HAR) for creating counterfactual datasets by utilizing hallucination in LLMs to improve attribution. For open book QA as a case study, we demonstrate that models finetuned with our counterfactual datasets improve text grounding, leading to better open book QA performance, with up to an 8.0% increase in F1 score. Our counterfactual dataset leads to significantly better performance than using humanannotated factual datasets, even with 4x smaller datasets and 4x smaller models. We observe that improvements are consistent across various model sizes and datasets, including multi-hop, biomedical, and adversarial QA datasets.

Model attribution is a popular tool to explain the rationales behind model predictions. However, recent work suggests that the attributions are vulnerable to minute perturbations, which can be added to input samples to fool the attributions while maintaining the prediction outputs. Although empirical studies have shown positive performance via adversarial training, an effective certified defense method is eminently needed to understand the robustness of attributions. In this work, we propose to use uniform smoothing technique that augments the vanilla attributions by noises uniformly sampled from a certain space. It is proved that, for all perturbations within the attack region, the cosine similarity between uniformly smoothed attribution of perturbed sample and the unperturbed sample is guaranteed to be lower bounded. We also derive alternative formulations of the certification that is equivalent to the original one and provides the maximum size of perturbation or the minimum smoothing radius such that the attribution can not be perturbed. We evaluate the proposed method on three datasets and show that the proposed method can effectively protect the attributions from attacks, regardless of the architecture of networks, training schemes and the size of the datasets.

Explaining the decisions of an Artificial Intelligence (AI) model is increasingly critical in many real-world, high-stake applications. Hundreds of papers have either proposed new feature attribution methods, discussed or harnessed these tools in their work. However, despite humans being the target end-users, most attribution methods were only evaluated on proxy automatic-evaluation metrics (Zhang et al. 2018; Zhou et al. 2016; Petsiuk et al. 2018). In this paper, we conduct the first user study to measure attribution map effectiveness in assisting humans in ImageNet classification and Stanford Dogs fine-grained classification, and when an image is natural or adversarial (i.e., contains adversarial perturbations). Overall, feature attribution is surprisingly not more effective than showing humans nearest training-set examples. On a harder task of fine-grained dog categorization, presenting attribution maps to humans does not help, but instead hurts the performance of human-AI teams compared to AI alone. Importantly, we found automatic attribution-map evaluation measures to correlate poorly with the actual human-AI team performance. Our findings encourage the community to rigorously test their methods on the downstream human-in-the-loop applications and to rethink the existing evaluation metrics.

Multi-attribution learning (MAL), which enhances model performance by learning from conversion labels yielded by multiple attribution mechanisms, has emerged as a promising learning paradigm for conversion rate (CVR) prediction. However, the conversion labels in public CVR datasets are generated by a single attribution mechanism, hindering the development of MAL approaches. To address this data gap, we establish the Multi-Attribution Benchmark (MAC), the first public CVR dataset featuring labels from multiple attribution mechanisms. Besides, to promote reproducible research on MAL, we develop PyMAL, an open-source library covering a wide array of baseline methods. We conduct comprehensive experimental analyses on MAC and reveal three key insights: (1) MAL brings consistent performance gains across different attribution settings, especially for users featuring long conversion paths. (2) The performance growth scales up with objective complexity in most settings; however, when predicting first-click conversion targets, simply adding auxiliary objectives is counterproductive, underscoring the necessity of careful selection of auxiliary objectives. (3) Two architectural design principles are paramount: first, to fully learn the multi-attribution knowledge, and second, to fully leverage this knowledge to serve the main task. Motivated by these findings, we propose Mixture of Asymmetric Experts (MoAE), an effective MAL approach incorporating multi-attribution knowledge learning and main task-centric knowledge utilization. Experiments on MAC show that MoAE substantially surpasses the existing state-of-the-art MAL method. We believe that our benchmark and insights will foster future research in the MAL field. Our MAC benchmark and the PyMAL algorithm library are publicly available at https://github.com/alimama-tech/PyMAL.

State-of-the-art performance in QA tasks is currently achieved by systems employing Large Language Models (LLMs), however these models tend to hallucinate information in their responses. One approach focuses on enhancing the generation process by incorporating attribution from the given input to the output. However, the challenge of identifying appropriate attributions and verifying their accuracy against a source is a complex task that requires significant improvements in assessing such systems. We introduce an attribution-oriented Chain-of-Thought reasoning method to enhance the accuracy of attributions. This approach focuses the reasoning process on generating an attribution-centric output. Evaluations on two context-enhanced question-answering datasets using GPT-4 demonstrate improved accuracy and correctness of attributions. In addition, the combination of our method with finetuning enhances the response and attribution accuracy of two smaller LLMs, showing their potential to outperform GPT-4 in some cases.

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

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

Training data attribution (TDA) methods aim to measure how training data impacts a model's predictions. While gradient-based attribution methods, such as influence functions, offer theoretical grounding, their computational costs make them impractical for large-scale applications. Representation-based approaches are far more scalable, but typically rely on heuristic embeddings that are not optimized for attribution, limiting their fidelity. To address these challenges, we propose AirRep, a scalable, representation-based approach that closes this gap by learning task-specific and model-aligned representations optimized explicitly for TDA. AirRep introduces two key innovations: a trainable encoder tuned for attribution quality, and an attention-based pooling mechanism that enables accurate estimation of group-wise influence. We train AirRep using a ranking objective over automatically constructed training subsets labeled by their empirical effect on target predictions. Experiments on instruction-tuned LLMs demonstrate that AirRep achieves performance on par with state-of-the-art gradient-based approaches while being nearly two orders of magnitude more efficient at inference time. Further analysis highlights its robustness and generalization across tasks and models. Our code is available at https://github.com/sunnweiwei/AirRep.

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.

Small language models (SLMs) are widely used in tasks that require low latency and lightweight deployment, particularly classification. As interpretability and robustness gain increasing importance, explanation-guided learning has emerged as an effective framework by introducing attribution-based supervision during training; however, deriving general and reliable attribution priors remains a significant challenge. Through an analysis of representative attribution methods in classification settings, we find that although these methods can reliably highlight class-relevant tokens, they often focus on common keywords shared by semantically similar classes. Because such classes are already difficult to distinguish under standard training, these attributions provide insufficient discriminative cues, limiting their ability to improve model differentiation. To overcome this limitation, we propose Class-Aware Attribution Prior (CAP), a novel attribution prior extraction framework that guides language models toward capturing fine-grained class distinctions and producing more salient, discriminative attribution priors. Building on this idea, we further introduce CAP Hybrid, which combines priors from CAP with those from existing attribution techniques to form a more comprehensive and balanced supervisory signal. By aligning a model's self-attribution with these enriched priors, our approach encourages the learning of diverse, decision-relevant features. Extensive experiments in full-data, few-shot, and adversarial scenarios demonstrate that our method consistently enhances both interpretability and robustness.

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.

Interpretability is an important area of research for safe deployment of machine learning systems. One particular type of interpretability method attributes model decisions to input features. Despite active development, quantitative evaluation of feature attribution methods remains difficult due to the lack of ground truth: we do not know which input features are in fact important to a model. In this work, we propose a framework for Benchmarking Attribution Methods (BAM) with a priori knowledge of relative feature importance. BAM includes 1) a carefully crafted dataset and models trained with known relative feature importance and 2) three complementary metrics to quantitatively evaluate attribution methods by comparing feature attributions between pairs of models and pairs of inputs. Our evaluation on several widely-used attribution methods suggests that certain methods are more likely to produce false positive explanations---features that are incorrectly attributed as more important to model prediction. We open source our dataset, models, and metrics.

Major cloud providers have employed advanced AI-based solutions like large language models to aid humans in identifying the root causes of cloud incidents. Despite the growing prevalence of AI-driven assistants in the root cause analysis process, their effectiveness in assisting on-call engineers is constrained by low accuracy due to the intrinsic difficulty of the task, a propensity for LLM-based approaches to hallucinate, and difficulties in distinguishing these well-disguised hallucinations. To address this challenge, we propose to perform confidence estimation for the predictions to help on-call engineers make decisions on whether to adopt the model prediction. Considering the black-box nature of many LLM-based root cause predictors, fine-tuning or temperature-scaling-based approaches are inapplicable. We therefore design an innovative confidence estimation framework based on prompting retrieval-augmented large language models (LLMs) that demand a minimal amount of information from the root cause predictor. This approach consists of two scoring phases: the LLM-based confidence estimator first evaluates its confidence in making judgments in the face of the current incident that reflects its ``grounded-ness" level in reference data, then rates the root cause prediction based on historical references. An optimization step combines these two scores for a final confidence assignment. We show that our method is able to produce calibrated confidence estimates for predicted root causes, validate the usefulness of retrieved historical data and the prompting strategy as well as the generalizability across different root cause prediction models. Our study takes an important move towards reliably and effectively embedding LLMs into cloud incident management systems.

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

The increasing complexity of AI systems has made understanding their behavior a critical challenge. Numerous methods have been developed to attribute model behavior to three key aspects: input features, training data, and internal model components. However, these attribution methods are studied and applied rather independently, resulting in a fragmented landscape of approaches and terminology. This position paper argues that feature, data, and component attribution methods share fundamental similarities, and bridging them can benefit interpretability research. We conduct a detailed analysis of successful methods across three domains and present a unified view to demonstrate that these seemingly distinct methods employ similar approaches, such as perturbations, gradients, and linear approximations, differing primarily in their perspectives rather than core techniques. Our unified perspective enhances understanding of existing attribution methods, identifies shared concepts and challenges, makes this field more accessible to newcomers, and highlights new directions not only for attribution and interpretability but also for broader AI research, including model editing, steering, and regulation.

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

In this study, we examine the efficacy of post-hoc local attribution methods in identifying features with predictive power from irrelevant ones in domains characterized by a low signal-to-noise ratio (SNR), a common scenario in real-world machine learning applications. We developed synthetic datasets encompassing symbolic functional, image, and audio data, incorporating a benchmark on the {\it (Model \(\times\) Attribution\(\times\) Noise Condition)} triplet. By rigorously testing various classic models trained from scratch, we gained valuable insights into the performance of these attribution methods in multiple conditions. Based on these findings, we introduce a novel extension to the notable recursive feature elimination (RFE) algorithm, enhancing its applicability for neural networks. Our experiments highlight its strengths in prediction and feature selection, alongside limitations in scalability. Further details and additional minor findings are included in the appendix, with extensive discussions. The codes and resources are available at https://github.com/geshijoker/ChaosMining/{URL}.

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.

Attribution methods, which employ heatmaps to identify the most influential regions of an image that impact model decisions, have gained widespread popularity as a type of explainability method. However, recent research has exposed the limited practical value of these methods, attributed in part to their narrow focus on the most prominent regions of an image -- revealing "where" the model looks, but failing to elucidate "what" the model sees in those areas. In this work, we try to fill in this gap with CRAFT -- a novel approach to identify both "what" and "where" by generating concept-based explanations. We introduce 3 new ingredients to the automatic concept extraction literature: (i) a recursive strategy to detect and decompose concepts across layers, (ii) a novel method for a more faithful estimation of concept importance using Sobol indices, and (iii) the use of implicit differentiation to unlock Concept Attribution Maps. We conduct both human and computer vision experiments to demonstrate the benefits of the proposed approach. We show that the proposed concept importance estimation technique is more faithful to the model than previous methods. When evaluating the usefulness of the method for human experimenters on a human-centered utility benchmark, we find that our approach significantly improves on two of the three test scenarios. Our code is freely available at github.com/deel-ai/Craft.

Agentic Reinforcement Learning (ARL) focuses on training large language models (LLMs) to interleave reasoning with external tool execution to solve complex tasks. Most existing ARL methods train a single shared model parameters to support both reasoning and tool use behaviors, implicitly assuming that joint training leads to improved overall agent performance. Despite its widespread adoption, this assumption has rarely been examined empirically. In this paper, we systematically investigate this assumption by introducing a Linear Effect Attribution System(LEAS), which provides quantitative evidence of interference between reasoning and tool-use behaviors. Through an in-depth analysis, we show that these two capabilities often induce misaligned gradient directions, leading to training interference that undermines the effectiveness of joint optimization and challenges the prevailing ARL paradigm. To address this issue, we propose Disentangled Action Reasoning Tuning(DART), a simple and efficient framework that explicitly decouples parameter updates for reasoning and tool-use via separate low-rank adaptation modules. Experimental results show that DART consistently outperforms baseline methods with averaged 6.35 percent improvements and achieves performance comparable to multi-agent systems that explicitly separate tool-use and reasoning using a single model.

The goal of predictive data attribution is to estimate how adding or removing a given set of training datapoints will affect model predictions. In convex settings, this goal is straightforward (i.e., via the infinitesimal jackknife). In large-scale (non-convex) settings, however, existing methods are far less successful -- current methods' estimates often only weakly correlate with ground truth. In this work, we present a new data attribution method (MAGIC) that combines classical methods and recent advances in metadifferentiation to (nearly) optimally estimate the effect of adding or removing training data on model predictions.

Tool-augmented Language Models (TaLMs) can invoke external tools to solve problems beyond their parametric capacity. However, it remains unclear whether these tool-enabled gains reflect trustworthy reasoning. Focusing on the Code Interpreter tool, we show that even when tools are selected and executed correctly, TaLMs treat tool outputs as substitutes for reasoning, producing solutions that appear correct but lack coherent justification. We term this failure mode Tool-Induced Myopia (TIM), and study it using PYMATH, a benchmark of 1,679 competition-level mathematical problems for which Python code is helpful but not sufficient. We further develop a multi-dimensional evaluation suite to quantify reasoning degradation in TaLMs relative to their non-tool counterparts. Our findings reveal that while TaLMs achieve up to a 19.3 percentage point gain in final-answer accuracy, their reasoning behavior consistently deteriorates (e.g., non-tool LLMs win up to 41.5% more often in pairwise comparisons of the reasoning process). This degradation intensifies with tool use; the more frequently a model invokes tools, the less coherent its reasoning becomes. Moreover, tool use shifts errors from arithmetic mistakes toward global reasoning failures (logic, assumption, creativity); with TIM present in ~55% of high-risk cases. Finally, we propose a preference-optimization-based framework that realigns TaLMs to use tools as assistive evidence, improving both final-answer accuracy and reasoning depth under tool use. Codes and data are available at: https://github.com/megagonlabs/TIM.

Tool calling allows large language models (LLMs) to interact with external systems like APIs, enabling applications in customer support, data analysis, and dynamic content generation. While recent benchmarks have advanced tool-use research, they suffer from key limitations, including reliance on simulated or restricted APIs, limited reproducibility, and a lack of cultural and geographic diversity. To address these gaps, we introduce International Tool Calling (ITC), a large-scale, multilingual benchmark designed for realistic, globally distributed tool-calling scenarios. ITC includes 3,571 real APIs and 17,540 tool calling tasks across 20 categories and 40 countries. Experiments reveal substantial performance gaps between open- and closed-source LLMs, while fine-tuning on ITC yields significant improvements, particularly for non-English queries, enhancing cross-lingual generalization, reasoning consistency, and robustness to out-of-domain tools. ITC provides a valuable benchmark for advancing LLM robustness and performance in complex, multi-tool, and international scenarios. Dataset: https://anonymous.4open.science/r/International-Tool-Calling-ITC-dataset-FAF4/.

In this paper, we present the first large-scale study exploring whether JavaScript code generated by Large Language Models (LLMs) can reveal which model produced it, enabling reliable authorship attribution and model fingerprinting. With the rapid rise of AI-generated code, attribution is playing a critical role in detecting vulnerabilities, flagging malicious content, and ensuring accountability. While AI-vs-human detection usually treats AI as a single category we show that individual LLMs leave unique stylistic signatures, even among models belonging to the same family or parameter size. To this end, we introduce LLM-NodeJS, a dataset of 50,000 Node.js back-end programs from 20 large language models. Each has four transformed variants, yielding 250,000 unique JavaScript samples and two additional representations (JSIR and AST) for diverse research applications. Using this dataset, we benchmark traditional machine learning classifiers against fine-tuned Transformer encoders and introduce CodeT5-JSA, a custom architecture derived from the 770M-parameter CodeT5 model with its decoder removed and a modified classification head. It achieves 95.8% accuracy on five-class attribution, 94.6% on ten-class, and 88.5% on twenty-class tasks, surpassing other tested models such as BERT, CodeBERT, and Longformer. We demonstrate that classifiers capture deeper stylistic regularities in program dataflow and structure, rather than relying on surface-level features. As a result, attribution remains effective even after mangling, comment removal, and heavy code transformations. To support open science and reproducibility, we release the LLM-NodeJS dataset, Google Colab training scripts, and all related materials on GitHub: https://github.com/LLM-NodeJS-dataset.

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 demonstrated impressive capabilities across a wide range of natural language processing tasks. However, their outputs often exhibit social biases, raising fairness concerns. Existing debiasing methods, such as fine-tuning on additional datasets or prompt engineering, face scalability issues or compromise user experience in multi-turn interactions. To address these challenges, we propose a framework for detecting stereotype-inducing words and attributing neuron-level bias in LLMs, without the need for fine-tuning or prompt modification. Our framework first identifies stereotype-inducing adjectives and nouns via comparative analysis across demographic groups. We then attribute biased behavior to specific neurons using two attribution strategies based on integrated gradients. Finally, we mitigate bias by directly intervening on their activations at the projection layer. Experiments on three widely used LLMs demonstrate that our method effectively reduces bias while preserving overall model performance. Code is available at the github link: https://github.com/XMUDeepLIT/Bi-directional-Bias-Attribution.

Despite a sea of interpretability methods that can produce plausible explanations, the field has also empirically seen many failure cases of such methods. In light of these results, it remains unclear for practitioners how to use these methods and choose between them in a principled way. In this paper, we show that for moderately rich model classes (easily satisfied by neural networks), any feature attribution method that is complete and linear -- for example, Integrated Gradients and SHAP -- can provably fail to improve on random guessing for inferring model behaviour. Our results apply to common end-tasks such as characterizing local model behaviour, identifying spurious features, and algorithmic recourse. One takeaway from our work is the importance of concretely defining end-tasks: once such an end-task is defined, a simple and direct approach of repeated model evaluations can outperform many other complex feature attribution methods.

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.

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

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

Image attribution algorithms aim to identify important regions that are highly relevant to model decisions. Although existing attribution solutions can effectively assign importance to target elements, they still face the following challenges: 1) existing attribution methods generate inaccurate small regions thus misleading the direction of correct attribution, and 2) the model cannot produce good attribution results for samples with wrong predictions. To address the above challenges, this paper re-models the above image attribution problem as a submodular subset selection problem, aiming to enhance model interpretability using fewer regions. To address the lack of attention to local regions, we construct a novel submodular function to discover more accurate small interpretation regions. To enhance the attribution effect for all samples, we also impose four different constraints on the selection of sub-regions, i.e., confidence, effectiveness, consistency, and collaboration scores, to assess the importance of various subsets. Moreover, our theoretical analysis substantiates that the proposed function is in fact submodular. Extensive experiments show that the proposed method outperforms SOTA methods on two face datasets (Celeb-A and VGG-Face2) and one fine-grained dataset (CUB-200-2011). For correctly predicted samples, the proposed method improves the Deletion and Insertion scores with an average of 4.9% and 2.5% gain relative to HSIC-Attribution. For incorrectly predicted samples, our method achieves gains of 81.0% and 18.4% compared to the HSIC-Attribution algorithm in the average highest confidence and Insertion score respectively. The code is released at https://github.com/RuoyuChen10/SMDL-Attribution.

Reward models (RMs) play a critical role in aligning large language models (LLMs) with human preferences. Yet in the domain of tool learning, the lack of RMs specifically designed for function-calling tasks has limited progress toward more capable agentic AI. We introduce ToolRM, a family of lightweight generative RMs tailored for general tool-use scenarios. To build these models, we propose a novel pipeline that constructs pairwise preference data using rule-based scoring and multidimensional sampling. This yields ToolPref-Pairwise-30K, a diverse, balanced, and challenging dataset of critique tasks that supports reinforcement learning with verifiable feedback. To evaluate tool-use RMs, we also introduce TRBench_{BFCL}, a benchmark built on the agentic evaluation suite BFCL. Trained on our constructed data, models from the Qwen3-4B/8B series achieve up to 14.28% higher accuracy, substantially outperforming frontier models such as Claude 4 and OpenAI o3 in pairwise reward judgments. Beyond training objectives, ToolRM generalizes to broader critique tasks, including Best-of-N sampling and self-correction. Experiments on ACEBench highlight its effectiveness and efficiency, enabling inference-time scaling and reducing output token usage by over 66%. We release data and model checkpoints to facilitate future research.

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.

Mechanistic interpretability aims to understand neural networks by identifying which learned features mediate specific behaviors. Attribution graphs reveal these feature pathways, but interpreting them requires extensive manual analysis -- a single prompt can take approximately 2 hours for an experienced circuit tracer. We present probe prompting, an automated pipeline that transforms attribution graphs into compact, interpretable subgraphs built from concept-aligned supernodes. Starting from a seed prompt and target logit, we select high-influence features, generate concept-targeted yet context-varying probes, and group features by cross-prompt activation signatures into Semantic, Relationship, and Say-X categories using transparent decision rules. Across five prompts including classic "capitals" circuits, probe-prompted subgraphs preserve high explanatory coverage while compressing complexity (Completeness 0.83, mean across circuits; Replacement 0.54). Compared to geometric clustering baselines, concept-aligned groups exhibit higher behavioral coherence: 2.3x higher peak-token consistency (0.425 vs 0.183) and 5.8x higher activation-pattern similarity (0.762 vs 0.130), despite lower geometric compactness. Entity-swap tests reveal a layerwise hierarchy: early-layer features transfer robustly (64% transfer rate, mean layer 6.3), while late-layer Say-X features specialize for output promotion (mean layer 16.4), supporting a backbone-and-specialization view of transformer computation. We release code (https://github.com/peppinob-ol/attribution-graph-probing), an interactive demo (https://huggingface.co/spaces/Peppinob/attribution-graph-probing), and minimal artifacts enabling immediate reproduction and community adoption.

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

Recent advancements in long-context modeling have enhanced language models (LMs) for complex tasks across multiple NLP applications. Despite this progress, we find that these models struggle with multi-hop reasoning and exhibit decreased performance in the presence of noisy contexts. In this paper, we introduce Reasoning with Attributions, a novel approach that prompts LMs to supply attributions for each assertion during their reasoning. We validate our approach through experiments on three multi-hop datasets, employing both proprietary and open-source models, and demonstrate its efficacy and resilience. Furthermore, we explore methods to augment reasoning capabilities via fine-tuning and offer an attribution-annotated dataset and a specialized training strategy. Our fine-tuned model achieves competitive performance on multi-hop reasoning benchmarks, closely paralleling proprietary LMs such as ChatGPT and Claude-instant.

Perturbation-based post-hoc image explanation methods are commonly used to explain image prediction models. These methods perturb parts of the input to measure how those parts affect the output. Since the methods only require the input and output, they can be applied to any model, making them a popular choice to explain black-box models. While many different methods exist and have been compared with one another, it remains poorly understood which parameters of the different methods are responsible for their varying performance. This work uses the Randomized Input Sampling for Explanations (RISE) method as a baseline to evaluate many combinations of mask sampling, segmentation techniques, smoothing, attribution calculation, and per-segment or per-pixel attribution, using a proxy metric. The results show that attribution calculation, which is frequently the focus of other works, has little impact on the results. Conversely, segmentation and per-pixel attribution, rarely examined parameters, have a significant impact. The implementation of and data gathered in this work are available online: https://github.com/guspih/post-hoc-image-perturbation and https://bit.ly/smooth-mask-perturbation.

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.

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.

While Mechanistic Interpretability has identified interpretable circuits in LLMs, their causal origins in training data remain elusive. We introduce Mechanistic Data Attribution (MDA), a scalable framework that employs Influence Functions to trace interpretable units back to specific training samples. Through extensive experiments on the Pythia family, we causally validate that targeted intervention--removing or augmenting a small fraction of high-influence samples--significantly modulates the emergence of interpretable heads, whereas random interventions show no effect. Our analysis reveals that repetitive structural data (e.g., LaTeX, XML) acts as a mechanistic catalyst. Furthermore, we observe that interventions targeting induction head formation induce a concurrent change in the model's in-context learning (ICL) capability. This provides direct causal evidence for the long-standing hypothesis regarding the functional link between induction heads and ICL. Finally, we propose a mechanistic data augmentation pipeline that consistently accelerates circuit convergence across model scales, providing a principled methodology for steering the developmental trajectories of LLMs.

Reward modeling (a.k.a., preference modeling) is instrumental for aligning large language models with human preferences, particularly within the context of reinforcement learning from human feedback (RLHF). While conventional reward models (RMs) have exhibited remarkable scalability, they oft struggle with fundamental functionality such as arithmetic computation, code execution, and factual lookup. In this paper, we propose a tool-augmented preference modeling approach, named Themis, to address these limitations by empowering RMs with access to external environments, including calculators and search engines. This approach not only fosters synergy between tool utilization and reward grading but also enhances interpretive capacity and scoring reliability. Our study delves into the integration of external tools into RMs, enabling them to interact with diverse external sources and construct task-specific tool engagement and reasoning traces in an autoregressive manner. We validate our approach across a wide range of domains, incorporating seven distinct external tools. Our experimental results demonstrate a noteworthy overall improvement of 17.7% across eight tasks in preference ranking. Furthermore, our approach outperforms Gopher 280B by 7.3% on TruthfulQA task in zero-shot evaluation. In human evaluations, RLHF trained with Themis attains an average win rate of 32% when compared to baselines across four distinct tasks. Additionally, we provide a comprehensive collection of tool-related RM datasets, incorporating data from seven distinct tool APIs, totaling 15,000 instances. We have made the code, data, and model checkpoints publicly available to facilitate and inspire further research advancements\url{https://github.com/ernie-research/Tool-Augmented-Reward-Model}.

While research on applications and evaluations of explanation methods continues to expand, fairness of the explanation methods concerning disparities in their performance across subgroups remains an often overlooked aspect. In this paper, we address this gap by showing that, across three tasks and five language models, widely used post-hoc feature attribution methods exhibit significant gender disparity with respect to their faithfulness, robustness, and complexity. These disparities persist even when the models are pre-trained or fine-tuned on particularly unbiased datasets, indicating that the disparities we observe are not merely consequences of biased training data. Our results highlight the importance of addressing disparities in explanations when developing and applying explainability methods, as these can lead to biased outcomes against certain subgroups, with particularly critical implications in high-stakes contexts. Furthermore, our findings underscore the importance of incorporating the fairness of explanations, alongside overall model fairness and explainability, as a requirement in regulatory frameworks.

Large language models (LLMs) can exhibit bias in a variety of ways. Such biases can create or exacerbate unfair outcomes for certain groups within a protected attribute, including, but not limited to sex, race, sexual orientation, or age. In this paper, we propose a decision framework that allows practitioners to determine which bias and fairness metrics to use for a specific LLM use case. To establish the framework, we define bias and fairness risks for LLMs, map those risks to a taxonomy of LLM use cases, and then define various metrics to assess each type of risk. Instead of focusing solely on the model itself, we account for both prompt-specific- and model-specific-risk by defining evaluations at the level of an LLM use case, characterized by a model and a population of prompts. Furthermore, because all of the evaluation metrics are calculated solely using the LLM output, our proposed framework is highly practical and easily actionable for practitioners. For streamlined implementation, all evaluation metrics included in the framework are offered in this paper's companion Python toolkit, LangFair. Finally, our experiments demonstrate substantial variation in bias and fairness across use cases, underscoring the importance of use-case-level assessments.

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

Tool-Integrated Reasoning (TIR) enables large language models (LLMs) to improve their internal reasoning ability by integrating external tools. However, models employing TIR often display suboptimal behaviors, such as insufficient or excessive tool usage and overthinking after tool calls. The challenge of incentivizing LLMs to perform TIR efficiently and accurately, while stabilizing the reasoning process, remains an open question. In this paper, we start by exploring the impact of tool calls on model reasoning from the perspective of information entropy. Our findings indicate that tool call results lead to a distinct change in the information entropy of subsequent reasoning, with the overall entropy of the reasoning chain varying based on the number of tool calls. Building on these insights, we propose Tool-Light, a framework designed to encourage LLMs to perform TIR efficiently and accurately. Our framework includes dataset construction and multi-stage fine-tuning. For dataset construction, we employ continuous self-evolved sampling using the fine-tuned model, integrating both vanilla sampling and entropy-guided sampling. Besides, we establish strict criteria for selecting positive-negative pairs during sampling. The training process involves a two-stage approach, comprising Supervised Fine-Tuning (SFT) and Self-Evolved Direct Preference Optimization (DPO). Experimental results on 10 datasets demonstrate the effectiveness of Tool-Light, significantly improving the model's efficiency in executing TIR tasks.

Modern generative search engines enhance the reliability of large language model (LLM) responses by providing cited evidence. However, evaluating the answer's attribution, i.e., whether every claim within the generated responses is fully supported by its cited evidence, remains an open problem. This verification, traditionally dependent on costly human evaluation, underscores the urgent need for automatic attribution evaluation methods. To bridge the gap in the absence of standardized benchmarks for these methods, we present AttributionBench, a comprehensive benchmark compiled from various existing attribution datasets. Our extensive experiments on AttributionBench reveal the challenges of automatic attribution evaluation, even for state-of-the-art LLMs. Specifically, our findings show that even a fine-tuned GPT-3.5 only achieves around 80% macro-F1 under a binary classification formulation. A detailed analysis of more than 300 error cases indicates that a majority of failures stem from the model's inability to process nuanced information, and the discrepancy between the information the model has access to and that human annotators do.

As LLMs are increasingly integrated into user-facing applications, addressing biases that perpetuate societal inequalities is crucial. While much work has gone into measuring or mitigating biases in these models, fewer studies have investigated their origins. Therefore, this study examines the correlation between gender-occupation bias in pre-training data and their manifestation in LLMs, focusing on the Dolma dataset and the OLMo model. Using zero-shot prompting and token co-occurrence analyses, we explore how biases in training data influence model outputs. Our findings reveal that biases present in pre-training data are amplified in model outputs. The study also examines the effects of prompt types, hyperparameters, and instruction-tuning on bias expression, finding instruction-tuning partially alleviating representational bias while still maintaining overall stereotypical gender associations, whereas hyperparameters and prompting variation have a lesser effect on bias expression. Our research traces bias throughout the LLM development pipeline and underscores the importance of mitigating bias at the pretraining stage.

Flowcharts are a critical tool for visualizing decision-making processes. However, their non-linear structure and complex visual-textual relationships make it challenging to interpret them using LLMs, as vision-language models frequently hallucinate nonexistent connections and decision paths when analyzing these diagrams. This leads to compromised reliability for automated flowchart processing in critical domains such as logistics, health, and engineering. We introduce the task of Fine-grained Flowchart Attribution, which traces specific components grounding a flowchart referring LLM response. Flowchart Attribution ensures the verifiability of LLM predictions and improves explainability by linking generated responses to the flowchart's structure. We propose FlowPathAgent, a neurosymbolic agent that performs fine-grained post hoc attribution through graph-based reasoning. It first segments the flowchart, then converts it into a structured symbolic graph, and then employs an agentic approach to dynamically interact with the graph, to generate attribution paths. Additionally, we present FlowExplainBench, a novel benchmark for evaluating flowchart attributions across diverse styles, domains, and question types. Experimental results show that FlowPathAgent mitigates visual hallucinations in LLM answers over flowchart QA, outperforming strong baselines by 10-14% on our proposed FlowExplainBench dataset.

Autonomous language-model agents increasingly rely on installable skills and tools to complete user tasks. Static skill auditing can expose capability surface before deployment, but it cannot determine whether a particular invocation is unsafe under the current user request and runtime context. We therefore study skill invocation auditing as a continuous-risk estimation problem: given a user request, candidate skill, and runtime context, predict a score that supports ranking and triage before a hard intervention is applied. We introduce STARS, which combines a static capability prior, a request-conditioned invocation risk model, and a calibrated risk-fusion policy. To evaluate this setting, we construct SIA-Bench, a benchmark of 3,000 invocation records with group-safe splits, lineage metadata, runtime context, canonical action labels, and derived continuous-risk targets. On a held-out split of indirect prompt injection attacks, calibrated fusion reaches 0.439 high-risk AUPRC, improving over 0.405 for the contextual scorer and 0.380 for the strongest static baseline, while the contextual scorer remains better calibrated with 0.289 expected calibration error. On the locked in-distribution test split, gains are smaller and static priors remain useful. The resulting claim is therefore narrower: request-conditioned auditing is most valuable as an invocation-time risk-scoring and triage layer rather than as a replacement for static screening. Code is available at https://github.com/123zgj123/STARS.

Recent releases such as o3 highlight human-like "thinking with images" reasoning that combines structured tool use with stepwise verification, yet most open-source approaches still rely on text-only chains, rigid visual schemas, or single-step pipelines, limiting flexibility, interpretability, and transferability on complex tasks. We introduce CodeDance, which explores executable code as a general solver for visual reasoning. Unlike fixed-schema calls (e.g., only predicting bounding-box coordinates), CodeDance defines, composes, and executes code to orchestrate multiple tools, compute intermediate results, and render visual artifacts (e.g., boxes, lines, plots) that support transparent, self-checkable reasoning. To guide this process, we introduce a reward for balanced and adaptive tool-call, which balances exploration with efficiency and mitigates tool overuse. Interestingly, beyond the expected capabilities taught by atomic supervision, we empirically observe novel emergent behaviors during RL training: CodeDance demonstrates novel tool invocations, unseen compositions, and cross-task transfer. These behaviors arise without task-specific fine-tuning, suggesting a general and scalable mechanism of executable visual reasoning. Extensive experiments across reasoning benchmarks (e.g., visual search, math, chart QA) show that CodeDance not only consistently outperforms schema-driven and text-only baselines, but also surpasses advanced closed models such as GPT-4o and larger open-source models.

Feature attribution methods identify which features of an input most influence a model's output. Most widely-used feature attribution methods (such as SHAP, LIME, and Grad-CAM) are "class-dependent" methods in that they generate a feature attribution vector as a function of class. In this work, we demonstrate that class-dependent methods can "leak" information about the selected class, making that class appear more likely than it is. Thus, an end user runs the risk of drawing false conclusions when interpreting an explanation generated by a class-dependent method. In contrast, we introduce "distribution-aware" methods, which favor explanations that keep the label's distribution close to its distribution given all features of the input. We introduce SHAP-KL and FastSHAP-KL, two baseline distribution-aware methods that compute Shapley values. Finally, we perform a comprehensive evaluation of seven class-dependent and three distribution-aware methods on three clinical datasets of different high-dimensional data types: images, biosignals, and text.

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.

Multi-agent systems (MAS) are critical for automating complex tasks, yet their practical deployment is severely hampered by the challenge of failure attribution. Current diagnostic tools, which rely on statistical correlations, are fundamentally inadequate; on challenging benchmarks like Who\&When, state-of-the-art methods achieve less than 15\% accuracy in locating the root-cause step of a failure. To address this critical gap, we introduce the first failure attribution framework for MAS grounded in multi-granularity causal inference. Our approach makes two key technical contributions: (1) a performance causal inversion principle, which correctly models performance dependencies by reversing the data flow in execution logs, combined with Shapley values to accurately assign agent-level blame; (2) a novel causal discovery algorithm, CDC-MAS, that robustly identifies critical failure steps by tackling the non-stationary nature of MAS interaction data. The framework's attribution results directly fuel an automated optimization loop, generating targeted suggestions whose efficacy is validated via counterfactual simulations. Evaluations on the Who\&When and TRAIL benchmarks demonstrate a significant leap in performance. Our method achieves up to 36.2\% step-level accuracy. Crucially, the generated optimizations boost overall task success rates by an average of 22.4\%. This work provides a principled and effective solution for debugging complex agent interactions, paving the way for more reliable and interpretable multi-agent systems.

In real-world Tool-Integrated Reasoning (TIR) scenarios, where LLMs interleave reasoning with external tool calls, a major source of inefficiency is that the toolcalls create pauses between LLM requests and cause KV-Cache eviction, forcing recomputation. Also, the long, unfiltered response returned by external tools inflates the KV-Cache, so each decode step spends more time loading the growing cache and thus becomes steadily slower as context length increases. However, existing efficiency metrics like token counts and toolcall counts fail to capture the real model inference latency. To address this, we introduce PTE (Prefill Token Equivalents), a hardware-aware TIR-efficiency metric that unifies internal reasoning and external tool-use costs while explicitly accounting for non-reusable KV-Cache and long-tool-response scenarios. Validation in a high-concurrency industrial setting indicates that PTE aligns significantly better with wall-clock latency than standard token counts, while maintaining consistent efficiency rankings across diverse hardware profiles. We conduct extensive experiments across five TIR benchmarks, quantify their PTE costs, and identify four inefficiency patterns that appear in TIR. We also discover that trajectories with higher PTE costs tend to have lower reasoning correctness, indicating that simply using more tools does not improve the quality of the answer.

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.

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.

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, 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.

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.

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.

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.

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.

We present ACAR (Adaptive Complexity and Attribution Routing), a measurement framework for studying multi-model orchestration under auditable conditions. ACAR uses self-consistency variance (sigma) computed from N=3 probe samples to route tasks across single-model, two-model, and three-model execution modes. The system is implemented on top of TEAMLLM, a deterministic execution substrate with immutable artifacts and complete decision traces. We evaluate ACAR on 1,510 tasks spanning four benchmarks: MathArena, Reasoning Gym, LiveCodeBench, and SuperGPQA, using Claude Sonnet 4, GPT-4o, and Gemini 2.0 Flash, producing more than 7,550 auditable runs. Results show that sigma-based routing achieves 55.6 percent accuracy, exceeding the two-model baseline of 54.4 percent while avoiding full ensembling on 54.2 percent of tasks. The routing mechanism is model-agnostic and requires no learned components. We also document negative results. First, retrieval augmentation reduced accuracy by 3.4 percentage points, as median retrieval similarity was only 0.167, demonstrating that experience injection without semantic alignment introduces noise rather than grounding. Second, when models agree on incorrect answers (sigma equals zero), no downstream ensemble can recover; this agreement-but-wrong failure mode is intrinsic to self-consistency and bounds achievable accuracy at approximately eight percentage points below full ensembling. Third, attribution estimates based on proxy signals such as response similarity and entropy showed weak correlation with ground-truth leave-one-out values, indicating that practical attribution requires explicit counterfactual computation. This work documents which assumptions fail in practice and provides falsifiable baselines for future research on routing, retrieval, and multi-model attribution.

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

Understanding multimodal perception for embodied AI is an open question because such inputs may contain highly complementary as well as redundant information for the task. A relevant direction for multimodal policies is understanding the global trends of each modality at the fusion layer. To this end, we disentangle the attributions for visual, language, and previous action inputs across different policies trained on the ALFRED dataset. Attribution analysis can be utilized to rank and group the failure scenarios, investigate modeling and dataset biases, and critically analyze multimodal EAI policies for robustness and user trust before deployment. We present MAEA, a framework to compute global attributions per modality of any differentiable policy. In addition, we show how attributions enable lower-level behavior analysis in EAI policies for language and visual attributions.

The growing capabilities of multimodal large language models (MLLMs) have advanced tasks like chart understanding. However, these models often suffer from hallucinations, where generated text sequences conflict with the provided visual data. To address this, we introduce Post-Hoc Visual Attribution for Charts, which identifies fine-grained chart elements that validate a given chart-associated response. We propose ChartLens, a novel chart attribution algorithm that uses segmentation-based techniques to identify chart objects and employs set-of-marks prompting with MLLMs for fine-grained visual attribution. Additionally, we present ChartVA-Eval, a benchmark with synthetic and real-world charts from diverse domains like finance, policy, and economics, featuring fine-grained attribution annotations. Our evaluations show that ChartLens improves fine-grained attributions by 26-66%.

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

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

Recent large language models (LLMs) achieve impressive performance in source-conditioned text generation but often fail to correctly provide fine-grained attributions for their outputs, undermining verifiability and trust. Moreover, existing attribution methods do not explain how and why models leverage the provided source documents to generate their final responses, limiting interpretability. To overcome these challenges, we introduce a modular generation framework, GenerationPrograms, inspired by recent advancements in executable "code agent" architectures. Unlike conventional generation methods that simultaneously generate outputs and attributions or rely on post-hoc attribution, GenerationPrograms decomposes the process into two distinct stages: first, creating an executable program plan composed of modular text operations (such as paraphrasing, compression, and fusion) explicitly tailored to the query, and second, executing these operations following the program's specified instructions to produce the final response. Empirical evaluations demonstrate that GenerationPrograms significantly improves attribution quality at both the document level and sentence level across two long-form question-answering tasks and a multi-document summarization task. We further demonstrate that GenerationPrograms can effectively function as a post-hoc attribution method, outperforming traditional techniques in recovering accurate attributions. In addition, the interpretable programs generated by GenerationPrograms enable localized refinement through modular-level improvements that further enhance overall attribution quality.

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.

Customers are usually exposed to online digital advertisement channels, such as email marketing, display advertising, paid search engine marketing, along their way to purchase or subscribe products( aka. conversion). The marketers track all the customer journey data and try to measure the effectiveness of each advertising channel. The inference about the influence of each channel plays an important role in budget allocation and inventory pricing decisions. Several simplistic rule-based strategies and data-driven algorithmic strategies have been widely used in marketing field, but they do not address the issues, such as channel interaction, time dependency, user characteristics. In this paper, we propose a novel attribution algorithm based on deep learning to assess the impact of each advertising channel. We present Deep Neural Net With Attention multi-touch attribution model (DNAMTA) model in a supervised learning fashion of predicting if a series of events leads to conversion, and it leads us to have a deep understanding of the dynamic interaction effects between media channels. DNAMTA also incorporates user-context information, such as user demographics and behavior, as control variables to reduce the estimation biases of media effects. We used computational experiment of large real world marketing dataset to demonstrate that our proposed model is superior to existing methods in both conversion prediction and media channel influence evaluation.

Feature attribution methods (FAs), such as gradients and attention, are widely employed approaches to derive the importance of all input features to the model predictions. Existing work in natural language processing has mostly focused on developing and testing FAs for encoder-only language models (LMs) in classification tasks. However, it is unknown if it is faithful to use these FAs for decoder-only models on text generation, due to the inherent differences between model architectures and task settings respectively. Moreover, previous work has demonstrated that there is no `one-wins-all' FA across models and tasks. This makes the selection of a FA computationally expensive for large LMs since input importance derivation often requires multiple forward and backward passes including gradient computations that might be prohibitive even with access to large compute. To address these issues, we present a model-agnostic FA for generative LMs called Recursive Attribution Generator (ReAGent). Our method updates the token importance distribution in a recursive manner. For each update, we compute the difference in the probability distribution over the vocabulary for predicting the next token between using the original input and using a modified version where a part of the input is replaced with RoBERTa predictions. Our intuition is that replacing an important token in the context should have resulted in a larger change in the model's confidence in predicting the token than replacing an unimportant token. Our method can be universally applied to any generative LM without accessing internal model weights or additional training and fine-tuning, as most other FAs require. We extensively compare the faithfulness of ReAGent with seven popular FAs across six decoder-only LMs of various sizes. The results show that our method consistently provides more faithful token importance distributions.

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

Context utilisation, the ability of Language Models (LMs) to incorporate relevant information from the provided context when generating responses, remains largely opaque to users, who cannot determine whether models draw from parametric memory or provided context, nor identify which specific context pieces inform the response. Highlight explanations (HEs) offer a natural solution as they can point the exact context pieces and tokens that influenced model outputs. However, no existing work evaluates their effectiveness in accurately explaining context utilisation. We address this gap by introducing the first gold standard HE evaluation framework for context attribution, using controlled test cases with known ground-truth context usage, which avoids the limitations of existing indirect proxy evaluations. To demonstrate the framework's broad applicability, we evaluate four HE methods -- three established techniques and MechLight, a mechanistic interpretability approach we adapt for this task -- across four context scenarios, four datasets, and five LMs. Overall, we find that MechLight performs best across all context scenarios. However, all methods struggle with longer contexts and exhibit positional biases, pointing to fundamental challenges in explanation accuracy that require new approaches to deliver reliable context utilisation explanations at scale.

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

As Large Language Models (LLMs) are increasingly applied to document-based tasks - such as document summarization, question answering, and information extraction - where user requirements focus on retrieving information from provided documents rather than relying on the model's parametric knowledge, ensuring the trustworthiness and interpretability of these systems has become a critical concern. A central approach to addressing this challenge is attribution, which involves tracing the generated outputs back to their source documents. However, since LLMs can produce inaccurate or imprecise responses, it is crucial to assess the reliability of these citations. To tackle this, our work proposes two techniques. (1) A zero-shot approach that frames attribution as a straightforward textual entailment task. Our method using flan-ul2 demonstrates an improvement of 0.27% and 2.4% over the best baseline of ID and OOD sets of AttributionBench, respectively. (2) We also explore the role of the attention mechanism in enhancing the attribution process. Using a smaller LLM, flan-t5-small, the F1 scores outperform the baseline across almost all layers except layer 4 and layers 8 through 11.

Many training data attribution (TDA) methods aim to estimate how a model's behavior would change if one or more data points were removed from the training set. Methods based on implicit differentiation, such as influence functions, can be made computationally efficient, but fail to account for underspecification, the implicit bias of the optimization algorithm, or multi-stage training pipelines. By contrast, methods based on unrolling address these issues but face scalability challenges. In this work, we connect the implicit-differentiation-based and unrolling-based approaches and combine their benefits by introducing Source, an approximate unrolling-based TDA method that is computed using an influence-function-like formula. While being computationally efficient compared to unrolling-based approaches, Source is suitable in cases where implicit-differentiation-based approaches struggle, such as in non-converged models and multi-stage training pipelines. Empirically, Source outperforms existing TDA techniques in counterfactual prediction, especially in settings where implicit-differentiation-based approaches fall short.

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

Multi-agent systems powered by Large Language Models excel at complex tasks through coordinated collaboration, yet they face high failure rates in multi-turn deep search scenarios. Existing temporal attribution methods struggle to accurately diagnose root causes, particularly when errors propagate across multiple agents. Attempts to automate failure attribution by analyzing action sequences remain ineffective due to their inability to account for information dependencies that span agents. This paper identifies two core challenges: (i) distinguishing symptoms from root causes in multi-agent error propagation, and (ii) tracing information dependencies beyond temporal order. To address these issues, we introduce GraphTracer, a framework that redefines failure attribution through information flow analysis. GraphTracer constructs Information Dependency Graphs (IDGs) to explicitly capture how agents reference and build on prior outputs. It localizes root causes by tracing through these dependency structures instead of relying on temporal sequences. GraphTracer also uses graph-aware synthetic data generation to target critical nodes, creating realistic failure scenarios. Evaluations on the Who\&When benchmark and integration into production systems demonstrate that GraphTracer-8B achieves up to 18.18\% higher attribution accuracy compared to state-of-the-art models and enables 4.8\% to 14.2\% performance improvements in deployed multi-agent frameworks, establishing a robust solution for multi-agent system debugging.

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.

Activation Patching is a method of directly computing causal attributions of behavior to model components. However, applying it exhaustively requires a sweep with cost scaling linearly in the number of model components, which can be prohibitively expensive for SoTA Large Language Models (LLMs). We investigate Attribution Patching (AtP), a fast gradient-based approximation to Activation Patching and find two classes of failure modes of AtP which lead to significant false negatives. We propose a variant of AtP called AtP*, with two changes to address these failure modes while retaining scalability. We present the first systematic study of AtP and alternative methods for faster activation patching and show that AtP significantly outperforms all other investigated methods, with AtP* providing further significant improvement. Finally, we provide a method to bound the probability of remaining false negatives of AtP* estimates.

Tool-integrated agents that interleave reasoning with API calls are promising for complex tasks, yet aligning them for high-stakes, domain-specific deployment remains challenging: existing reinforcement learning approaches rely on coarse binary rewards that cannot distinguish tool selection errors from malformed parameters. We present ToolRLA, a three-stage post-training pipeline (SFT -> GRPO -> DPO) for domain-specific tool agents. The core contribution is a fine-grained reward function with multiplicative correctness decomposition spanning four dimensions -- format validity, tool selection, parameter accuracy, and regulatory compliance -- that encodes domain priority orderings as inductive biases in the reward landscape. Deployed on a financial advisory copilot (80+ advisors, 1,200+ daily queries), ToolRLA achieves over three months: a 47% improvement in task completion rate (62%->91%), a 63% reduction in tool invocation errors (38%->14%), and a 93% reduction in regulatory violations (12%->0.8%), within sub-2-second latency. Ablation studies show the multiplicative reward design accounts for 7 percentage points of improvement over additive alternatives. Generalization is further validated on ToolBench and API-Bank.

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.

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

A principle behind dozens of attribution methods is to take the prediction difference between before-and-after an input feature (here, a token) is removed as its attribution. A popular Input Marginalization (IM) method (Kim et al., 2020) uses BERT to replace a token, yielding more plausible counterfactuals. While Kim et al. (2020) reported that IM is effective, we find this conclusion not convincing as the DeletionBERT metric used in their paper is biased towards IM. Importantly, this bias exists in Deletion-based metrics, including Insertion, Sufficiency, and Comprehensiveness. Furthermore, our rigorous evaluation using 6 metrics and 3 datasets finds no evidence that IM is better than a Leave-One-Out (LOO) baseline. We find two reasons why IM is not better than LOO: (1) deleting a single word from the input only marginally reduces a classifier's accuracy; and (2) a highly predictable word is always given near-zero attribution, regardless of its true importance to the classifier. In contrast, making LIME samples more natural via BERT consistently improves LIME accuracy under several ROAR metrics.

Various XAI attribution methods have been recently proposed for the transformer architecture, allowing for insights into the decision-making process of large language models by assigning importance scores to input tokens and intermediate representations. One class of methods that seems very promising in this direction includes decomposition-based approaches, i.e., XAI-methods that redistribute the model's prediction logit through the network, as this value is directly related to the prediction. In the previous literature we note though that two prominent methods of this category, namely ALTI-Logit and LRP, have not yet been analyzed in juxtaposition and hence we propose to close this gap by conducting a careful quantitative evaluation w.r.t. ground truth annotations on a subject-verb agreement task, as well as various qualitative inspections, using BERT, GPT-2 and LLaMA-3 as a testbed. Along the way we compare and extend the ALTI-Logit and LRP methods, including the recently proposed AttnLRP variant, from an algorithmic and implementation perspective. We further incorporate in our benchmark two widely-used gradient-based attribution techniques. Finally, we make our carefullly constructed benchmark dataset for evaluating attributions on language models, as well as our code, publicly available in order to foster evaluation of XAI-methods on a well-defined common ground.

Tool-integrated reasoning (TIR) has become a key approach for improving large reasoning models (LRMs) on complex problems. Prior work has mainly studied when to invoke tools, while overlooking how tools are applied. We identify two common patterns: a calculator pattern that uses code for direct computation, and an algorithmic pattern that encodes problems as programs. Misaligned choices often cause failures even when reasoning is sound. We propose a two-stage framework that first builds code competence from both patterns and then aligns pattern selection with teacher preferences. Across challenging math datasets, our pattern-aware method substantially improves both code usage and accuracy, for instance raising Code@1 on MATH500 from 64.0% to 70.5% and on AIME24 from 26.7% to 50.0%. These gains highlight the effectiveness of a pattern-aware approach for tool-integrated reasoning.

Large Language Models (LLMs) frequently hallucinate to long-form questions, producing plausible yet factually incorrect answers. A common mitigation strategy is to provide attribution to LLM outputs. However, existing benchmarks primarily focus on simple attribution that retrieves supporting textual evidence as references. We argue that in real-world scenarios such as financial applications, attribution goes beyond reference retrieval. We introduce FinLFQA, a benchmark designed to evaluate the ability of LLMs to generate long-form answers to complex financial questions with reliable and nuanced attributions. FinLFQA evaluates three critical aspects of attribution through human annotations: (1) supporting evidence extracted from financial reports, (2) intermediate numerical reasoning steps, and (3) domain-specific financial knowledge that informs the reasoning process. We further provide an automatic evaluation framework covering both answer quality and attribution quality. Through extensive experiments on eight LLMs across multiple attribution-generation paradigms, we find that fine-grained metrics are important to distinguish model capabilities, that end-to-end generation achieves comparable performance to post-hoc approaches, and that iterative refinement only helps when guided by external feedback.

The goal of data attribution is to trace model predictions back to training data. Despite a long line of work towards this goal, existing approaches to data attribution tend to force users to choose between computational tractability and efficacy. That is, computationally tractable methods can struggle with accurately attributing model predictions in non-convex settings (e.g., in the context of deep neural networks), while methods that are effective in such regimes require training thousands of models, which makes them impractical for large models or datasets. In this work, we introduce TRAK (Tracing with the Randomly-projected After Kernel), a data attribution method that is both effective and computationally tractable for large-scale, differentiable models. In particular, by leveraging only a handful of trained models, TRAK can match the performance of attribution methods that require training thousands of models. We demonstrate the utility of TRAK across various modalities and scales: image classifiers trained on ImageNet, vision-language models (CLIP), and language models (BERT and mT5). We provide code for using TRAK (and reproducing our work) at https://github.com/MadryLab/trak .

Deep research agents have emerged as powerful tools for automating complex intellectual tasks through multi-step reasoning and web-based information seeking. While recent efforts have successfully enhanced these agents by scaling depth through increasing the number of sequential thinking and tool calls, the potential of scaling width via parallel tool calling remains largely unexplored. In this work, we propose the Wide and Deep research agent, a framework designed to investigate the behavior and performance of agents when scaling not only depth but also width via parallel tool calling. Unlike existing approaches that rely on complex multi-agent orchestration to parallelize workloads, our method leverages intrinsic parallel tool calling to facilitate effective coordination within a single reasoning step. We demonstrate that scaling width significantly improves performance on deep research benchmarks while reducing the number of turns required to obtain correct answers. Furthermore, we analyze the factors driving these improvements through case studies and explore various tool call schedulers to optimize parallel tool calling strategy. Our findings suggest that optimizing the trade-off between width and depth is a critical pathway toward high-efficiency deep research agents. Notably, without context management or other tricks, we obtain 62.2% accuracy with GPT-5-Medium on BrowseComp, surpassing the original 54.9% reported by GPT-5-High.

The advent of agentic multimodal models has empowered systems to actively interact with external environments. However, current agents suffer from a profound meta-cognitive deficit: they struggle to arbitrate between leveraging internal knowledge and querying external utilities. Consequently, they frequently fall prey to blind tool invocation, resorting to reflexive tool execution even when queries are resolvable from the raw visual context. This pathological behavior precipitates severe latency bottlenecks and injects extraneous noise that derails sound reasoning. Existing reinforcement learning protocols attempt to mitigate this via a scalarized reward that penalizes tool usage. Yet, this coupled formulation creates an irreconcilable optimization dilemma: an aggressive penalty suppresses essential tool use, whereas a mild penalty is entirely subsumed by the variance of the accuracy reward during advantage normalization, rendering it impotent against tool overuse. To transcend this bottleneck, we propose HDPO, a framework that reframes tool efficiency from a competing scalar objective to a strictly conditional one. By eschewing reward scalarization, HDPO maintains two orthogonal optimization channels: an accuracy channel that maximizes task correctness, and an efficiency channel that enforces execution economy exclusively within accurate trajectories via conditional advantage estimation. This decoupled architecture naturally induces a cognitive curriculum-compelling the agent to first master task resolution before refining its self-reliance. Extensive evaluations demonstrate that our resulting model, Metis, reduces tool invocations by orders of magnitude while simultaneously elevating reasoning accuracy.

Model attribution is a critical component of deep neural networks (DNNs) for its interpretability to complex models. Recent studies bring up attention to the security of attribution methods as they are vulnerable to attribution attacks that generate similar images with dramatically different attributions. Existing works have been investigating empirically improving the robustness of DNNs against those attacks; however, none of them explicitly quantifies the actual deviations of attributions. In this work, for the first time, a constrained optimization problem is formulated to derive an upper bound that measures the largest dissimilarity of attributions after the samples are perturbed by any noises within a certain region while the classification results remain the same. Based on the formulation, different practical approaches are introduced to bound the attributions above using Euclidean distance and cosine similarity under both ell_2 and ell_infty-norm perturbations constraints. The bounds developed by our theoretical study are validated on various datasets and two different types of attacks (PGD attack and IFIA attribution attack). Over 10 million attacks in the experiments indicate that the proposed upper bounds effectively quantify the robustness of models based on the worst-case attribution dissimilarities.

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

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

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

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.

Attribution methods can provide powerful insights into the reasons for a classifier's decision. We argue that a key desideratum of an explanation method is its robustness to input hyperparameters which are often randomly set or empirically tuned. High sensitivity to arbitrary hyperparameter choices does not only impede reproducibility but also questions the correctness of an explanation and impairs the trust of end-users. In this paper, we provide a thorough empirical study on the sensitivity of existing attribution methods. We found an alarming trend that many methods are highly sensitive to changes in their common hyperparameters e.g. even changing a random seed can yield a different explanation! Interestingly, such sensitivity is not reflected in the average explanation accuracy scores over the dataset as commonly reported in the literature. In addition, explanations generated for robust classifiers (i.e. which are trained to be invariant to pixel-wise perturbations) are surprisingly more robust than those generated for regular classifiers.

Neural networks have shown remarkable performance in computer vision, but their deployment in numerous scientific and technical fields is challenging due to their black-box nature. Scientists and practitioners need to evaluate the reliability of a decision, i.e., to know simultaneously if a model relies on the relevant features and whether these features are robust to image corruptions. Existing attribution methods aim to provide human-understandable explanations by highlighting important regions in the image domain, but fail to fully characterize a decision process's reliability. To bridge this gap, we introduce the Wavelet sCale Attribution Method (WCAM), a generalization of attribution from the pixel domain to the space-scale domain using wavelet transforms. Attribution in the wavelet domain reveals where {\it and} on what scales the model focuses, thus enabling us to assess whether a decision is reliable.

Model attributions are important in deep neural networks as they aid practitioners in understanding the models, but recent studies reveal that attributions can be easily perturbed by adding imperceptible noise to the input. The non-differentiable Kendall's rank correlation is a key performance index for attribution protection. In this paper, we first show that the expected Kendall's rank correlation is positively correlated to cosine similarity and then indicate that the direction of attribution is the key to attribution robustness. Based on these findings, we explore the vector space of attribution to explain the shortcomings of attribution defense methods using ell_p norm and propose integrated gradient regularizer (IGR), which maximizes the cosine similarity between natural and perturbed attributions. Our analysis further exposes that IGR encourages neurons with the same activation states for natural samples and the corresponding perturbed samples, which is shown to induce robustness to gradient-based attribution methods. Our experiments on different models and datasets confirm our analysis on attribution protection and demonstrate a decent improvement in adversarial robustness.

A recent focus of large language model (LLM) development, as exemplified by generative search engines, is to incorporate external references to generate and support their claims. However, evaluating the attribution, i.e., verifying whether the generated statement is indeed fully supported by the cited reference, remains an open problem. Although human evaluation is common practice, it is costly and time-consuming. In this paper, we investigate the automatic evaluation of attribution by LLMs. We begin by providing a definition of attribution and then explore two approaches for automatic evaluation: prompting LLMs and fine-tuning smaller LMs. The fine-tuning data is repurposed from related tasks, such as question answering, fact-checking, natural language inference, and summarization. To facilitate the evaluation, we manually curate a set of test examples covering 12 domains from a generative search engine, New Bing. Our results on the curated test set and simulated test examples from existing benchmark questions highlight both promising signals as well as remaining challenges for the automatic evaluation of attribution. We hope our testbed, modeling methodology, and insights will help lay the foundation for future studies on this important problem.

Open-domain generative systems have gained significant attention in the field of conversational AI (e.g., generative search engines). This paper presents a comprehensive review of the attribution mechanisms employed by these systems, particularly large language models. Though attribution or citation improve the factuality and verifiability, issues like ambiguous knowledge reservoirs, inherent biases, and the drawbacks of excessive attribution can hinder the effectiveness of these systems. The aim of this survey is to provide valuable insights for researchers, aiding in the refinement of attribution methodologies to enhance the reliability and veracity of responses generated by open-domain generative systems. We believe that this field is still in its early stages; hence, we maintain a repository to keep track of ongoing studies at https://github.com/HITsz-TMG/awesome-llm-attributions.