Interpretable Machine Learning for Solid-State Batteries

Solid-state batteries (SSBs) have emerged as promising candidates for next-generation energy storage systems due to their high energy density and enhanced safety. In recent years, machine learning (ML) has become a transformative tool in battery research to accelerate the discovery of new materials and predict cycle life. However, the widespread application of ML is hindered by the "black-box" nature of many models, which limits their interpretability and scientific credibility. We propose a structured framework for using ML in SSB research by encompassing five components: (i) solid electrolyte design, (ii) material characterization, (iii) electrode/electrolyte interface optimization, (iv) battery lifetime prediction, and (v) dendrite inhibition. For each component, we identify its specific requirements and recommend appropriate approaches to develop interpretable ML. Finally, we summarize current challenges and propose corresponding suggestions as well as open-source toolchains aimed at transitioning from "black-box" predictions to mechanism-driven design, which will accelerate the development of high-performance SSBs for energy storage.

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Publication Details

Journal
ACS Nano
Published
2026-02-02
DOI
https://doi.org/10.1021/acsnano.5c21738
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
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article

Interpretable Machine Learning for Solid-State Batteries

Yiwei You, Jing Peng, Xin Guo, Xuexia Lan et al.
ACS Nano
Machine Learning in Materials Science
article

Interpretable Machine Learning for Solid-State Batteries

Yiwei You, Jing Peng, Xin Guo, Xuexia Lan, Xinyu Ye, Ho Seok Park, Chenglong Zhao, Hui-Ming Cheng, Yaxin Cheng, Guojin Liang
article en

Abstract

Solid-state batteries (SSBs) have emerged as promising candidates for next-generation energy storage systems due to their high energy density and enhanced safety. In recent years, machine learning (ML) has become a transformative tool in battery research to accelerate the discovery of new materials and predict cycle life. However, the widespread application of ML is hindered by the "black-box" nature of many models, which limits their interpretability and scientific credibility. We propose a structured framework for using ML in SSB research by encompassing five components: (i) solid electrolyte design, (ii) material characterization, (iii) electrode/electrolyte interface optimization, (iv) battery lifetime prediction, and (v) dendrite inhibition. For each component, we identify its specific requirements and recommend appropriate approaches to develop interpretable ML. Finally, we summarize current challenges and propose corresponding suggestions as well as open-source toolchains aimed at transitioning from "black-box" predictions to mechanism-driven design, which will accelerate the development of high-performance SSBs for energy storage.

ACS NanoVol. 20(6)
Shenzhen University (CN), Xiamen University (CN), Chinese Academy of Sciences (CN), Ministry of Ecology and Environment (CN), Shenzhen Institutes of Advanced Technology (CN), Shenzhen Technology University (CN), Sungkyunkwan University (KR)
Affordable and clean energy
Openalex Percentile: Top 70%
Machine Learning in Materials Science
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Interpretable Machine Learning for Solid-State Batteries — Yiwei You, Jing Peng, et al. · ACS Nano (2026) | TGRS Research Map | TGRS