LLM-based agents depend on effective tool-use policies to solve complex tasks, yet optimizing these policies remains challenging due to delayed supervision and the difficulty of credit assignment in long-horizon trajectories. Existing optimization approaches tend to be either monolithic, which are prone to entangling behaviors, or single-aspect, which ignore cross-module error propagation. To address these limitations, we propose EvoTool, a self-evolving framework that optimizes a modular tool-use policy via a gradient-free evolutionary paradigm. EvoTool decomposes agent's tool-use policy into four modules, including Planner, Selector, Caller, and Synthesizer, and iteratively improves them in a self-improving loop through three novel mechanisms. Trajectory-Grounded Blame Attribution uses diagnostic traces to localize failures to a specific module. Feedback-Guided Targeted Mutation then edits only that module via natural-language critique. Diversity-Aware Population Selection preserves complementary candidates to ensure solution diversity. Across four benchmarks, EvoTool outperforms strong baselines by over 5 points on both GPT-4.1 and Qwen3-8B, while achieving superior efficiency and transferability. The code will be released once paper is accepted.
Figures & tables
Figure 1: Limitations of monolithic and single-aspect tool-use policy optimization, and how EVOTOOL enables targeted, blame-aware policy updates.
Figure 2: Overall architecture of EvoTool . EvoTool optimizes a modular tool-use policy through a self-evolving loop consisting of (1) trajectory collection from the tool environment, (2) trajectory-grounded blame attribution to identify the responsible module, (3) feedback-guided targeted mutation to update that module using natural language feedback, and (4) diversity-aware population selection over candidate policies to retain complementary candidates.
Model / Method
ToolBench
RestBench
τ -Bench
BFCL
Overall
G1
G2
G3
Avg
TM
SP
Avg
Ret
Air
Avg
Sin
Mul
Avg
Avg
GPT-4.1
Hand-crafted policies
ReAct
68.2
64.7
57.9
63.6
72.4
74.3
73.4
59.8
35.9
47.9
74.8
37.2
56.0
60.6
CoT
53.5
50.8
48.4
50.9
59.8
63.5
61.7
34.2
25.3
29.8
43.2
21.4
32.3
44.5
Plan-and-Solve
63.3
59.2
55.3
59.3
64.8
69.2
67.0
58.4
36.7
47.6
57.2
25.3
41.3
54.4
Monolithic optimization
Table 1: Main results on two backbone models. We report benchmark-standard metrics on ToolBench (G1/G2/G3), RestBench (TMDB/Spotify), τ -Bench (Retail/Airline), and BFCL (Single/Multi-turn), with the overall average. TM = TMDB, SP = Spotify, Ret = Retail, Air = Airline, Sin = Single-turn, Mul = Multi-turn.
Figure 3: Learning dynamics and efficiency comparison. (a) Learning curves across evolution iterations on four benchmarks. (b) Performance versus log token cost under GPT-4.1.
Figure 4: Module-level error progression across evolution iterations diagnosed by the Blamer LLM.
Figure 5: Transferability across datasets and backbone models. (a) Cross-dataset transfer between ToolBench and RestBench. (b) Cross-model transfer between Qwen3-8B and GPT-4.1.
Appendix figures & tables5 assets
Supplementary material from the paper’s appendix.
Appendix
Figure 7Figure 8Figure 9Figure 10
Stage
Artifact
Content
Benchmark
Task instruction
I’m planning a hiking trip… (omitted for brevity) Fetch nearby places for 39.5501 N, 105.7821 W using TrueWay Places . Get geocode for ‘987 Oak Street’ using Census Bureau .
Benchmark
Ground solution
R1: findplacesnearby (TrueWay) R2: geocoding (Census Bureau) R3: Provide Answer
Episode 100 (failure)
Selector Spec v0
[Selector Spec v0 — minimal] - Choose next tool based on semantic relevance. - Prefer tools that directly answer the question. - Pick most common/general tool if unsure.
Episode 100
Incorrect selection
Tool=Weather; API=getForecast; Rationale=Geocoding seems related to location context.
Episode 100
Feedback
Error: required tool not used. Expected: Geocoder - US Census Bureau. Observed: Weather.
EvoTool
Evolved prompt
[Selector Spec v1] HARD CONSTRAINTS: 1) If user explicitly requires tools, you MUST select them. 2) Preserve required tool order. SELECTION HEURISTIC: A) Identify missing variable (subgoal). B) Pick required tool producing that variable.
Tool utilization enables Large Language Model (LLM) agents to interact with the real world and resolve complex tasks. However, existing agent frameworks predominantly rely on static toolsets composed of granular atomic actions (e.g., basic file I/O or single-turn search), which forces agents to reinvent low-level logic for every recurring workflow, leading to increased reasoning overhead and failure rates. In this study, we propose that agents can achieve self-evolution by synthesizing these atomic actions into reusable Standard Operating Procedures (SOPs), which function as callable higher-order tools that encapsulate multi-step logic. We further introduce EvoSOP, a framework that empowers agents to extract SOPs from execution trajectories and iteratively optimize the toolset through a systematic lifecycle of construction, merging, evaluation, and pruning. Extensive experiments demonstrate that EvoSOP significantly boosts task success rates while substantially reducing the number of interaction rounds compared to baselines. Our analysis also reveals that iterative tool optimization fosters reliable and efficient tool-use patterns, providing a scalable pathway for the development of self-evolving agents.
Large language models (LLMs) are becoming the foundation for autonomous agents that can use tools to solve complex tasks. Reinforcement learning (RL) has emerged as a common approach for injecting such agentic capabilities, but typically under tightly controlled training setups. It often depends on carefully constructed task-solution pairs and substantial human supervision, which creates a fundamental obstacle to open-ended self-evolution toward superintelligent systems. In this paper, we propose Tool-R0 framework for training general purpose tool-calling agents from scratch with self-play RL, under a zero-data assumption. Initialized from the same base LLM, Tool-R0 co-evolves a Generator and a Solver with complementary rewards: one proposes targeted challenging tasks at the other's competence frontier and the other learns to solve them with real-world tool calls. This creates a self-evolving cycle that requires no pre-existing tasks or datasets. Evaluation on different tool-use benchmarks show that Tool-R0 yields 92.5 relative improvement over the base model and surpasses fully supervised tool-calling baselines under the same setting. Our work further provides empirical insights into self-play LLM agents by analyzing co-evolution, curriculum dynamics, and scaling behavior.
Self-evolving agents can continually improve their behavior, while tools define the executable action space through which they interact with the environment. However, exposing the full tool library to model introduces substantial irrelevant context and can impair tool-use decisions. We study tool-space self-evolution, where each recurring task type maintains a persistent tool space which is constructed from accumulated output experience. We identify three limitations of existing methods: (1) output-unaware selection: they rely primarily on tool descriptions or model priors rather than observed tool outputs; (2) statelessness across request: they select tools independently for each request without consolidating prior output experience into persistent task-specific state; (3) inference cost: they repeatedly search, rank, or reason over candidate tools for subsequent requests of the same task. We address these limitations through output-aware tool scoring, persistent task-specific tool spaces, amortized tool selection, and reusable configurations across models. We introduce LOTS (Likelihood-Only Tool Scoring), which evolves an agent's tool space from accumulated output experience while keeping model parameters fixed. After each request, LOTS holds the model's generated answer and estimates each tool's contribution by measuring how much the answer likelihood changes when its observed output is removed. These contributions are aggregated within each recurring task to rank tools and update its persistent space. Across three benchmarks, LOTS improves task performance while substantially reducing tool context. More importantly, sequential experiments demonstrate that task-specific spaces persist and continue to improve over time, while cross-model experiments show that learned configurations transfer across different models.
Xuanqi Zhang, Ruinan Jin, Running Yang +4
University of British Columbia · Vector Institute · Columbia University