Accelerating battery research with an AI interface between FINALES and Kadi4Mat
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| Main Authors: | , , , , |
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| Format: | Preprint |
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2026
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| _version_ | 1866909009518264320 |
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| author | Tosato, Giovanna Merker, Leon Vogler, Monika Selzer, Michael Koeppe, Arnd |
| author_facet | Tosato, Giovanna Merker, Leon Vogler, Monika Selzer, Michael Koeppe, Arnd |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2605_00909 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Accelerating battery research with an AI interface between FINALES and Kadi4Mat Tosato, Giovanna Merker, Leon Vogler, Monika Selzer, Michael Koeppe, Arnd Artificial Intelligence Materials Science Machine Learning 62L05 H.4.m; I.2.m 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. |
| title | Accelerating battery research with an AI interface between FINALES and Kadi4Mat |
| topic | Artificial Intelligence Materials Science Machine Learning 62L05 H.4.m; I.2.m |
| url | https://arxiv.org/abs/2605.00909 |