mlsanityData to 14 Oct 2026

Agentic AI for Self-Driving Laboratories in Soft Matter: Taxonomy, Benchmarks,and Open Challenges

arXiv 2601.17920 ↗First posted 25 Jan 2026cs.AIcited by 0

On the map: End-to-end autonomous driving → Large language models for driving

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Abstract (arXiv)

Self-driving laboratories (SDLs) close the loop between experiment design, automated execution, and data-driven decision making, and they provide a demanding testbed for agentic AI under expensive actions, noisy and delayed feedback, strict feasibility and safety constraints, and non-stationarity. This survey uses soft matter as a representative setting but focuses on the AI questions that arise in real laboratories. We frame SDL autonomy as an agent environment interaction problem with explicit observations, actions, costs, and constraints, and we use this formulation to connect common SDL pipelines to established AI principles. We review the main method families that enable closed loop experimentation, including Bayesian optimization and active learning for sample efficient experiment selection, planning and reinforcement learning for long horizon protocol optimization, and tool using agents that orchestrate heterogeneous instruments and software. We emphasize verifiable and provenance aware policies that support debugging, reproducibility, and safe operation. We then propose a capability driven taxonomy that organizes systems by decision horizon, uncertainty modeling, action parameterization, constraint handling, failure recovery, and human involvement. To enable meaningful comparison, we synthesize benchmark task templates and evaluation metrics that prioritize cost aware performance, robustness to drift, constraint violation behavior, and reproducibility. Finally, we distill lessons from deployed SDLs and outline open challenges in multi-modal representation, calibrated uncertainty, safe exploration, and shared benchmark infrastructure.

Key facts. No citing papers in the map yet (data through 14 Oct 2026). Placed in Large language models for driving, one of 9 directions in End-to-end autonomous driving. Builds on 14 of its 37 references that are in the map. First posted on arXiv 25 Jan 2026.

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14 of 37 references.

References · 14

  1. 2021SimNet: Learning Reactive Self-driving Simulations from Real-world Observationscited by 77
  2. 2020Rewriting History with Inverse RL: Hindsight Inference for Policy Improvementcited by 60
  3. 2019Multi-Objective Multi-Agent Decision Making: A Utility-based Analysis and Surveycited by 47
  4. 2025Large Language Models for Planning: A Comprehensive and Systematic Surveycited by 40
  5. 2024Multi-Agent Reinforcement Learning for Autonomous Driving: A Surveycited by 32
  6. 2023Self-Correcting Bayesian Optimization through Bayesian Active Learningcited by 22
  7. 2025Towards Embodied Agentic AI: Review and Classification of LLM- and VLM-Driven Robot Autonomy and Interactioncited by 19
  8. 2023Active Learning and Bayesian Optimization: a Unified Perspective to Learn with a Goalcited by 17
  9. 2024Human-compatible driving partners through data-regularized self-play reinforcement learningcited by 17
  10. 2025Forgetful but Faithful: A Cognitive Memory Architecture and Benchmark for Privacy-Aware Generative Agentscited by 13
  11. 2024Advancing Investment Frontiers: Industry-grade Deep Reinforcement Learning for Portfolio Optimizationcited by 4
  12. 2024Challenges in Guardrailing Large Language Models for Sciencecited by 4
2 more
  1. 2022Strategic Decisions Survey, Taxonomy, and Future Directions from Artificial Intelligence Perspectivecited by 3
  2. 2023Modeling Risk in Reinforcement Learning: A Literature Mappingcited by 1

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  1. 2026Compressing the Validation Bottleneck: An Agentic Self-Driving Lab for Scientific Discovery
  2. 2026La Agente 'Optima: Towards Agentic Self-Driving Laboratories
  3. 2026Safe-SDL:Establishing Safety Boundaries and Control Mechanisms for AI-Driven Self-Driving Laboratories
  4. 2026NIMO Controller: a self-driving laboratory orchestrator based on the Model Context Protocol
  5. 2026LAP: An Agent-to-Instrument Protocol for Autonomous Science
  6. 2026PRISM: Protocol Refinement through Intelligent Simulation Modeling
  7. 2026From Digital to Physical: Digital Agents as Autonomous Coaches for Physical Intelligence
  8. 2026AgentDrive: An Open Benchmark Dataset for Agentic AI Reasoning with LLM-Generated Scenarios in Autonomous Systems