AgentSHAP: Interpreting LLM Agent Tool Importance with Monte Carlo Shapley Value Estimation

Abstract

LLM agents that use external tools can solve complex tasks, but understanding which tools actually contributed to a response remains a blind spot. No existing XAI methods address tool-level explanations. We introduce AgentSHAP, the first framework for explaining tool importance in LLM agents. AgentSHAP is model-agnostic: it treats the agent as a black box and works with any LLM (GPT, Claude, Llama, etc.) without needing access to internal weights or gradients. Using Monte Carlo Shapley values, AgentSHAP tests how an agent responds with different tool subsets and computes fair importance scores based on game theory. Our contributions are: (1) the first explainability method for agent tool attribution, grounded in Shapley values from game theory; (2) Monte Carlo sampling that reduces cost from O(2n) to practical levels; and (3) comprehensive experiments on API-Bank showing that AgentSHAP produces consistent scores across runs, correctly identifies which tools matter, and distinguishes relevant from irrelevant tools. AgentSHAP joins TokenSHAP (for tokens) and PixelSHAP (for image regions) to complete a family of Shapley-based XAI tools for modern generative AI. Code: https://github.com/GenAISHAP/TokenSHAP.