arXiv:2604.27266cs.LGcond-mat.mtrl-sci2026-04

用强化学习自动从电化学数据生成等效电路模型,省去人工试错。

AutoREC: A reinforcement learning platform for equivalent circuit model generation

论文配图:AutoREC: A reinforcement learning platform for equivalent circuit model generation
图 1 · 摘自论文原文
  • 将电路生成建模为马尔可夫决策过程,智能体逐步优化电路拓扑。
  • 在合成与真实电池、腐蚀等系统数据上验证,能生成合理模型。
  • 开源平台支持全流程,适合自动化实验与电化学研究者使用。

本文介绍AutoREC,一个开源的Python平台,用于开发、训练和评估强化学习(RL)智能体,自动从电化学阻抗谱(EIS)数据生成等效电路模型(ECMs)。尽管ECMs广泛用于解释EIS测量,其识别通常依赖人工试错,需领域知识且难以扩展,尤其在自驱动实验室等自动化实验流程中。在AutoREC中,电路生成被建模为马尔可夫决策过程,智能体根据当前状态、可用动作和模型反馈逐步修改电路拓扑。平台支持端到端工作流,包括可选阻抗表示的EIS预处理、智能体设置与训练、新测量的电路生成,以及基于可视化的评估与决策分析。AutoREC采用可配置的双深度Q网络(DDQN)智能体,结合优先经验回放和专门的死循环缓解策略,高效探索复杂的电路生成动作空间。通过在合成数据集上训练并评估代表性智能体,再应用于电池、腐蚀、氧析出反应及CO₂还原系统的未见实验谱图,案例展示了AutoREC的端到端能力,也揭示了实验复杂性与训练数据覆盖不足带来的挑战。所展示的智能体作为参考实现;AutoREC提供可扩展基础,用户可针对特定电化学系统与研究目标定制和评估智能体。

原文摘要 · Abstract (English)

This paper introduces AutoREC, an open-source Python platform for developing, training, and evaluating reinforcement learning (RL) agents that automatically generate equivalent circuit models (ECMs) from electrochemical impedance spectroscopy (EIS) data. Although ECMs are widely used to interpret EIS measurements, their identification typically relies on manual trial-and-error, requiring domain expertise and limiting scalability, particularly in autonomous experimental pipelines such as self-driving laboratories. In AutoREC, ECM generation is formulated as a Markov decision process in which an RL agent sequentially modifies a circuit topology based on the current state, available actions, and feedback from the resulting model. The platform supports an end-to-end workflow encompassing EIS preprocessing with selectable impedance representations, agent setup and training, ECM generation for new measurements, and visualization-based evaluation and analysis of agent decision-making. AutoREC implements a configurable Double Deep Q-Network (DDQN) agent with prioritized experience replay and a dedicated dead-loop mitigation strategy for navigating the complex circuit-generation action space efficiently. To demonstrate the platform, we trained and evaluated a representative agent on synthetic EIS datasets and applied it to previously unseen experimental spectra from battery, corrosion, oxygen evolution reaction, and CO$_2$ reduction systems. These case studies illustrate the end-to-end capabilities of AutoREC while revealing challenges associated with experimental complexity and limited training-data coverage. The demonstrated agent serves as a reference implementation; AutoREC provides an extensible foundation through which users can develop and evaluate agents tailored to their specific electrochemical systems and research objectives.

强化学习等效电路电化学自动化

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