# AutoMind: Adaptive Knowledgeable Agent for Automated Data Science

arXiv: https://arxiv.org/abs/2506.10974 · HTML: https://mlsanity.com/paper/2506.10974/

## Key facts

- Cited by 20 papers in the map (data through 14 Oct 2026).
- Placed in Web, search, and research agents, one of 16 directions in LLM agents and tool use.
- Builds on 31 of its 57 references that are in the map.
- First posted on arXiv 12 Jun 2025.

## Placed in

- LLM agents and tool use / [Web, search, and research agents](https://mlsanity.com/agents/web-search-and-research-agents/)

## Builds on (most cited first, 30 of 31)

- [DeepSeekMath: Pushing the Limits of Mathematical Reasoning in Open Language Models](https://mlsanity.com/paper/2402.03300/) (2024)
- [ReAct: Synergizing Reasoning and Acting in Language Models](https://mlsanity.com/paper/2210.03629/) (2022)
- [A Survey on Large Language Model based Autonomous Agents](https://mlsanity.com/paper/2308.11432/) (2023)
- [SWE-agent: Agent-Computer Interfaces Enable Automated Software Engineering](https://mlsanity.com/paper/2405.15793/) (2024)
- [Search-R1: Training LLMs to Reason and Leverage Search Engines with Reinforcement Learning](https://mlsanity.com/paper/2503.09516/) (2025)
- [ChatDev: Communicative Agents for Software Development](https://mlsanity.com/paper/2307.07924/) (2023)
- [The AI Scientist-v2: Workshop-Level Automated Scientific Discovery via Agentic Tree Search](https://mlsanity.com/paper/2504.08066/) (2025)
- [Understanding the planning of LLM agents: A survey](https://mlsanity.com/paper/2402.02716/) (2024)
- [ReTool: Reinforcement Learning for Strategic Tool Use in LLMs](https://mlsanity.com/paper/2504.11536/) (2025)
- [Navigating the Digital World as Humans Do: Universal Visual Grounding for GUI Agents](https://mlsanity.com/paper/2410.05243/) (2024)
- [OS-ATLAS: A Foundation Action Model for Generalist GUI Agents](https://mlsanity.com/paper/2410.23218/) (2024)
- [MLAgentBench: Evaluating Language Agents on Machine Learning Experimentation](https://mlsanity.com/paper/2310.03302/) (2023)
- [AgentTuning: Enabling Generalized Agent Abilities for LLMs](https://mlsanity.com/paper/2310.12823/) (2023)
- [WebThinker: Empowering Large Reasoning Models with Deep Research Capability](https://mlsanity.com/paper/2504.21776/) (2025)
- [SWE-RL: Advancing LLM Reasoning via Reinforcement Learning on Open Software Evolution](https://mlsanity.com/paper/2502.18449/) (2025)
- [FireAct: Toward Language Agent Fine-tuning](https://mlsanity.com/paper/2310.05915/) (2023)
- [Reasoning with Language Model Prompting: A Survey](https://mlsanity.com/paper/2212.09597/) (2022)
- [AIDE: AI-Driven Exploration in the Space of Code](https://mlsanity.com/paper/2502.13138/) (2025)
- [Data Interpreter: An LLM Agent For Data Science](https://mlsanity.com/paper/2402.18679/) (2024)
- [DeepDTA: Deep Drug-Target Binding Affinity Prediction](https://mlsanity.com/paper/1801.10193/) (2018)
- [Agent AI: Surveying the Horizons of Multimodal Interaction](https://mlsanity.com/paper/2401.03568/) (2024)
- [AutoWebGLM: A Large Language Model-based Web Navigating Agent](https://mlsanity.com/paper/2404.03648/) (2024)
- [AutoML-Agent: A Multi-Agent LLM Framework for Full-Pipeline AutoML](https://mlsanity.com/paper/2410.02958/) (2024)
- [PlanGenLLMs: A Modern Survey of LLM Planning Capabilities](https://mlsanity.com/paper/2502.11221/) (2025)
- [AutoAct: Automatic Agent Learning from Scratch for QA via Self-Planning](https://mlsanity.com/paper/2401.05268/) (2024)
- [Data-Copilot: Bridging Billions of Data and Humans with Autonomous Workflow](https://mlsanity.com/paper/2306.07209/) (2023)
- [MLR-Copilot: Autonomous Machine Learning Research based on Large Language Models Agents](https://mlsanity.com/paper/2408.14033/) (2024)
- [MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction](https://mlsanity.com/paper/2004.11424/) (2020)
- [ML-Agent: Reinforcing LLM Agents for Autonomous Machine Learning Engineering](https://mlsanity.com/paper/2505.23723/) (2025)
- [OAG-Bench: A Human-Curated Benchmark for Academic Graph Mining](https://mlsanity.com/paper/2402.15810/) (2024)

## Built on by (most cited first, 20 of 20)

- [Memp: Exploring Agent Procedural Memory](https://mlsanity.com/paper/2508.06433/) (2025)
- [SkillX: Automatically Constructing Skill Knowledge Bases for Agents](https://mlsanity.com/paper/2604.04804/) (2026)
- [MLEvolve: A Self-Evolving Framework for Automated Machine Learning Algorithm Discovery](https://mlsanity.com/paper/2606.06473/) (2026)
- [InternAgent-1.5: A Unified Agentic Framework for Long-Horizon Autonomous Scientific Discovery](https://mlsanity.com/paper/2602.08990/) (2026)
- [Large Language Model-based Data Science Agent: A Survey](https://mlsanity.com/paper/2508.02744/) (2025)
- [AutoMLGen: Navigating Fine-Grained Optimization for Coding Agents](https://mlsanity.com/paper/2510.08511/) (2025)
- [AgenticSciML: Collaborative Multi-Agent Systems for Emergent Discovery in Scientific Machine Learning](https://mlsanity.com/paper/2511.07262/) (2025)
- [CangLing-KnowFlow: A Unified Knowledge-and-Flow-fused Agent for Comprehensive Remote Sensing Applications](https://mlsanity.com/paper/2512.15231/) (2025)
- [InnoEval: On Research Idea Evaluation as a Knowledge-Grounded, Multi-Perspective Reasoning Problem](https://mlsanity.com/paper/2602.14367/) (2026)
- [AgentX: Towards Agent-Driven Self-Iteration of Industrial Recommender Systems](https://mlsanity.com/paper/2606.26859/) (2026)
- [Frontis-MA1: Training an AI4AI Model towards Recursive Self-Improvement in Machine Learning Engineering](https://mlsanity.com/paper/2607.28568/) (2026)
- [Towards Adaptive ML Benchmarks: Web-Agent-Driven Construction, Domain Expansion, and Metric Optimization](https://mlsanity.com/paper/2509.09321/) (2025)
- [HarmonyCell: Automating Single-Cell Perturbation Modeling under Semantic and Distribution Shifts](https://mlsanity.com/paper/2603.01396/) (2026)
- [DataChef: Cooking Up Optimal Data Recipes for LLM Adaptation via Reinforcement Learning](https://mlsanity.com/paper/2602.11089/) (2026)
- [Matryoshka Agent: Unfolding Sub-Agents for Long-Horizon Machine Learning Engineering](https://mlsanity.com/paper/2607.25090/) (2026)
- [What Makes AI Research Replicable? Executable Knowledge Graphs as Scientific Knowledge Representations](https://mlsanity.com/paper/2510.17795/) (2025)
- [Maestro: Reinforcement Learning to Orchestrate Hierarchical Model-Skill Ensembles](https://mlsanity.com/paper/2605.22177/) (2026)
- [Can LLM design high-quality experiments? A Comprehensive and Systematic Benchmark on Autonomous Experimental Design](https://mlsanity.com/paper/2608.03501/) (2026)
- [Towards Persistent Case-Based Memory for Autonomous Data Science: A CBR-Augmented R&D-Agent with a Locally Deployable Small Language Model](https://mlsanity.com/paper/2606.05250/) (2026)
- [DS-Lighting: Making Agent Harnesses Explicit for Data-Science Automation](https://mlsanity.com/paper/2608.28590/) (2026)

## Abstract (arXiv)

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains limited. Existing frameworks depend on rigid, pre-defined workflows and inflexible coding strategies; consequently, they excel only on relatively simple, classical problems and fail to capture the empirical expertise that human practitioners bring to complex, innovative tasks. In this work, we introduce AutoMind, an adaptive, knowledgeable LLM-agent framework that overcomes these deficiencies through three key advances: (1) a curated expert knowledge base that grounds the agent in domain expert knowledge, (2) an agentic knowledgeable tree search algorithm that strategically explores possible solutions, and (3) a self-adaptive coding strategy that dynamically tailors code generation to task complexity. Evaluations on two automated data science benchmarks demonstrate that AutoMind delivers superior performance versus state-of-the-art baselines. Additional analyses confirm favorable effectiveness, efficiency, and qualitative solution quality, highlighting AutoMind as an efficient and robust step toward fully automated data science. Code is at https://github.com/innovatingAI/AutoMind.