# SciToolAgent-Evo: An Ontology-Aware Self-Evolving Agent for Open-World Scientific Tool Acquisition

arXiv: https://arxiv.org/abs/2607.28692 · HTML: https://mlsanity.com/paper/2607.28692/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Placed in Web, search, and research agents, one of 16 directions in LLM agents and tool use.
- Builds on 23 of its 36 references that are in the map.
- First posted on arXiv 30 Jul 2026.

## Placed in

- LLM agents and tool use / [Web, search, and research agents](https://mlsanity.com/agents/web-search-and-research-agents/)
- Synthetic data and self-improvement for LLMs / [Self-evolving LLM agents](https://mlsanity.com/synth/self-evolving-llm-agents/)

## Builds on (most cited first, 23 of 23)

- [Retrieval-Augmented Generation for Knowledge-Intensive NLP Tasks](https://mlsanity.com/paper/2005.11401/) (2020)
- [Qwen3 Technical Report](https://mlsanity.com/paper/2505.09388/) (2025)
- [ReAct: Synergizing Reasoning and Acting in Language Models](https://mlsanity.com/paper/2210.03629/) (2022)
- [Toolformer: Language Models Can Teach Themselves to Use Tools](https://mlsanity.com/paper/2302.04761/) (2023)
- [A Survey on Large Language Model based Autonomous Agents](https://mlsanity.com/paper/2308.11432/) (2023)
- [ToolLLM: Facilitating Large Language Models to Master 16000+ Real-world APIs](https://mlsanity.com/paper/2307.16789/) (2023)
- [Gorilla: Large Language Model Connected with Massive APIs](https://mlsanity.com/paper/2305.15334/) (2023)
- [HuggingGPT: Solving AI Tasks with ChatGPT and its Friends in Hugging Face](https://mlsanity.com/paper/2303.17580/) (2023)
- [ChemCrow: Augmenting large-language models with chemistry tools](https://mlsanity.com/paper/2304.05376/) (2023)
- [API-Bank: A Comprehensive Benchmark for Tool-Augmented LLMs](https://mlsanity.com/paper/2304.08244/) (2023)
- [ToolAlpaca: Generalized Tool Learning for Language Models with 3000 Simulated Cases](https://mlsanity.com/paper/2306.05301/) (2023)
- [ToolRL: Reward is All Tool Learning Needs](https://mlsanity.com/paper/2504.13958/) (2025)
- [ChatGPT for Robotics: Design Principles and Model Abilities](https://mlsanity.com/paper/2306.17582/) (2023)
- [ToolSandbox: A Stateful, Conversational, Interactive Evaluation Benchmark for LLM Tool Use Capabilities](https://mlsanity.com/paper/2408.04682/) (2024)
- [ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery](https://mlsanity.com/paper/2410.05080/) (2024)
- [RestGPT: Connecting Large Language Models with Real-World RESTful APIs](https://mlsanity.com/paper/2306.06624/) (2023)
- [ChatEDA: A Large Language Model Powered Autonomous Agent for EDA](https://mlsanity.com/paper/2308.10204/) (2023)
- [GeneGPT: Augmenting Large Language Models with Domain Tools for Improved Access to Biomedical Information](https://mlsanity.com/paper/2304.09667/) (2023)
- [XSkill: Continual Learning from Experience and Skills in Multimodal Agents](https://mlsanity.com/paper/2603.12056/) (2026)
- [ToolGen: Unified Tool Retrieval and Calling via Generation](https://mlsanity.com/paper/2410.03439/) (2024)
- [SciAgent: Tool-augmented Language Models for Scientific Reasoning](https://mlsanity.com/paper/2402.11451/) (2024)
- [SciToolAgent: A Knowledge Graph-Driven Scientific Agent for Multi-Tool Integration](https://mlsanity.com/paper/2507.20280/) (2025)
- [TOOLVERIFIER: Generalization to New Tools via Self-Verification](https://mlsanity.com/paper/2402.14158/) (2024)

## Abstract (arXiv)

Large language model (LLM) agents have been increasingly adopted in scientific research for organizing and invoking specialized computational tools. However, their reliance on predefined tool spaces with static semantics limits their applicability to open-world scientific workflows, where tool requirements, capabilities, and boundaries evolve dynamically. To this end, we propose SciToolAgent-Evo, an ontology-aware self-evolving agent for open-world scientific tool acquisition. Driven by an evolving memory of skills, experiences, and an ontologized tool graph, it distills generalizable knowledge from contrastive trajectories during accumulation, whereas during inference, it formulates active requests and utilizes a LinUCB-based bandit gate to dynamically balance exploration and exploitation. Once a novel tool is acquired, its scientific ontology is completed online for seamless integration into the known graph. Moreover, we introduce OpenSciToolBench, a benchmark containing 900 realistic tasks across four difficulty levels. Extensive evaluations show that SciToolAgent-Evo achieves state-of-the-art performance, validating its robustness and generalization.