用AI协同优化钠离子电池充电流程,兼顾速度与寿命。
Accelerating battery research with an AI interface between FINALES and Kadi4Mat

- 构建FINALES与Kadi4Mat系统联动框架,实现自动实验规划与选择。
- 通过多目标贝叶斯优化,在12轮实验中逼近最优性能与时间权衡解。
- 适合材料科学、电池研发及自动化实验平台的交叉研究者参考。
充电过程耗时严重制约钠离子扣式电池的寿命与退役性能(EOL)。本研究旨在优化充电流程,在保证高性能的前提下缩短时间,减少实验次数以降低资源消耗并加速发现。重点关注两个相互竞争的目标:最小化充电时间与最大化EOL性能。除应用目标外,还提出方法论贡献:建立FINALES与Kadi RDM生态系统的互操作框架,用于解决优化问题。在此架构中,FINALES框架在POLiS MAP上协调实验规划与执行,而嵌入于Kadi4Mat的主动学习代理利用多目标批量贝叶斯优化,高效探索参数空间。该互操作性提升了自动化系统与人工工作流之间的协同效率,支持跨研究中心协作。通过迭代探索,成功识别出逼近帕累托前沿的候选方案。该工作验证了可互操作基础设施在电池研究中数据驱动优化的能力,并提供可迁移至其他材料科学与工程优化任务的通用框架。
原文摘要 · Abstract (English)
The time-consuming formation process critically impacts the longevity of sodium-ion coin cells and End Of Life (EOL) performance. This study aims to optimize formation protocols for duration efficiency, targeting high-performance outcomes while minimizing the number of experiments to reduce resource consumption and accelerate discovery. Specifically, we consider two potentially competing objectives: minimizing formation time and maximizing EOL performance. Beyond this application focus, we also present a methodological contribution: a framework designed to enable interoperability between the FINALES and Kadi RDM ecosystems, which we employ to tackle our optimization problem. In this setup, the FINALES framework orchestrates experiment planning and execution on the POLiS MAP, while an active-learning agent implemented within Kadi4Mat guides experiment selection, using multi-objective batched Bayesian optimization to efficiently explore the parameter space. This interoperability enhancement enables coordinated, distributed collaboration across automated systems and human-operated workflows, bridging multiple research centers. Using this approach, we iteratively explore the trade-off between formation time and EOL performance and identify candidate solutions approximating the Pareto front. The resulting workflow demonstrates the capability of interoperable infrastructures to facilitate data-driven optimization in battery research, and establishes a transferable framework applicable to diverse materials science and engineering optimization tasks.
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