Function calling empowers large language models (LLMs) to interface with external tools, yet existing RL-based approaches suffer from misalignment between reasoning processes and tool-call decisions. We propose R2IF, a reasoning-aware RL framework for interpretable function calling, adopting a composite reward integrating format/correctness constraints, Chain-of-Thought Effectiveness Reward (CER), and Specification-Modification-Value (SMV) reward, optimized via GRPO. Experiments on BFCL/ACEBench show R2IF outperforms baselines by up to 34.62% (Llama3.2-3B on BFCL) with positive Average CoT Effectiveness (0.05 for Llama3.2-3B), enhancing both function-calling accuracy and interpretability for reliable tool-augmented LLM deployment.
Large Language Models (LLMs) are increasingly deployed to autonomously solve real-world tasks. A key ingredient for this is the LLM Function-Calling paradigm, a widely used approach for equipping LLMs with tool-use capabilities. However, an LLM calling functions incorrectly can have severe implications, especially when their effects are irreversible, e.g., transferring money or deleting data. Hence, it is of paramount importance to consider the LLM's confidence that a function call solves the task correctly prior to executing it. Uncertainty Quantification (UQ) methods can be used to quantify this confidence and prevent potentially incorrect function calls. In this work, we present what is, to our knowledge, the first evaluation of UQ methods for LLM Function-Calling (FC). While multi-sample UQ methods, such as Semantic Entropy, show strong performance for natural language Q&A tasks, we find that in the FC setting, it offers no clear advantage over simple single-sample UQ methods. Additionally, we find that the particularities of FC outputs can be leveraged to improve the performance of existing UQ methods in this setting. Specifically, multi-sample UQ methods benefit from clustering FC outputs based on their abstract syntax tree parsing, while single-sample UQ methods can be improved by selecting only semantically meaningful tokens when calculating logit-based uncertainty scores.
Zihuiwen Ye, Lukas Aichberger, Michael Kirchhof +5
Tool-calling is a central component of modern large language model (LLM) agents, equipping them with skills beyond their parametric knowledge. This paper studies tool-calling along two complementary axes: effectiveness, i.e., how this capability is measured, and efficiency, i.e., how it is learned. On effectiveness, we systematically analyze tool-calling evaluation pipelines and show that results can be highly sensitive to seemingly minor, often undocumented implementation choices including the random seed, system prompt, multi-turn template construction, and how prior interaction/reasoning history is carried forward. These choices can lead to substantial differences in reported performance, especially in multi-turn settings where without rigorous standardization, leaderboard rankings are unreliable. On efficiency, we examine standard reinforcement learning (RL) for tool-calling and identify two sources of computational waste: (i) during rollouts, many prompts produce no learning signal, and (ii) during policy updates, optimization incurs high computational cost. Guided by these findings, we introduce two techniques that accelerate RL-based tool-calling training, achieving substantial wall-clock speedup without degrading performance.
Large language model (LLM) agents increasingly interleave natural language reasoning with external tools such as web search and code execution. These tool-use policies are often optimized via reinforcement learning (RL), which can amplify spurious correlations in the training data. In this work, we study when and why RL-trained agents learn shortcut tool-selection policies: invoking tools based on superficial prompt cues rather than genuine task requirements. We construct controlled synthetic environments combining factual question answering and mathematical reasoning tasks, and inject cues that are strongly correlated with specific tools during training but causally irrelevant to tool necessity. Across counterfactual evaluations where cues are present but the associated tools are not required, agents exhibit substantial shortcut behavior, with spurious tool invocation rates increasing by up to 39 percent. However, shortcut formation is not universal: across the conditions we test, it arises only when the agent has already learned to use the target tool reliably, suggesting that task competence, rather than dataset imbalance alone, is a key factor in shortcut learning. A swapped-cue analysis further shows that semantic alignment between cues and tools substantially amplifies this effect. To mitigate these failures, we introduce a dense, decision-level reward in which an LLM judge evaluates the necessity of each tool call. This tool-necessity reward effectively suppresses cue-driven tool use while preserving task performance, providing a practical approach to improving the robustness of LLM agent tool-use policies.