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Main Authors: Li, Yuqi, Zhang, Han, Gui, Xiaofan, Chen, Zhao, Li, Yu, Chi, Xiwen, Zhou, Quan, Zheng, Shun, Lu, Ziheng, Xu, Wei, Bian, Jiang, Chen, Liquan, Li, Hong
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2504.03701
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author Li, Yuqi
Zhang, Han
Gui, Xiaofan
Chen, Zhao
Li, Yu
Chi, Xiwen
Zhou, Quan
Zheng, Shun
Lu, Ziheng
Xu, Wei
Bian, Jiang
Chen, Liquan
Li, Hong
author_facet Li, Yuqi
Zhang, Han
Gui, Xiaofan
Chen, Zhao
Li, Yu
Chi, Xiwen
Zhou, Quan
Zheng, Shun
Lu, Ziheng
Xu, Wei
Bian, Jiang
Chen, Liquan
Li, Hong
contents Battery degradation is governed by complex and randomized cyclic conditions, yet existing modeling and prediction frameworks usually rely on rigid, unchanging protocols that fail to capture real-world dynamics. The stochastic electrical signals make such prediction extremely challenging, while, on the other hand, they provide abundant additional information, such as voltage fluctuations, which may probe the degradation mechanisms. Here, we present chemistry-aware battery degradation prediction under dynamic conditions with machine learning, which integrates hidden Markov processes for realistic power simulations, an automated batch-testing system that generates a large electrochemical dataset under randomized conditions, an interfacial chemistry database derived from high-throughput X-ray photoelectron spectroscopy for mechanistic probing, and a machine learning model for prediction. By automatically constructing a polynomial-scale feature space from irregular electrochemical curves, our model accurately predicts both battery life and critical knee points. This feature space also predicts the composition of the solid electrolyte interphase, revealing six distinct failure mechanisms-demonstrating a viable approach to use electrical signals to infer interfacial chemistry. This work establishes a scalable and adaptive framework for integrating chemical engineering and data science to advance noninvasive diagnostics and optimize processes for more durable and sustainable energy storage technologies.
format Preprint
id arxiv_https___arxiv_org_abs_2504_03701
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Chemistry-aware battery degradation prediction under simulated real-world cyclic protocols
Li, Yuqi
Zhang, Han
Gui, Xiaofan
Chen, Zhao
Li, Yu
Chi, Xiwen
Zhou, Quan
Zheng, Shun
Lu, Ziheng
Xu, Wei
Bian, Jiang
Chen, Liquan
Li, Hong
Signal Processing
Machine Learning
Battery degradation is governed by complex and randomized cyclic conditions, yet existing modeling and prediction frameworks usually rely on rigid, unchanging protocols that fail to capture real-world dynamics. The stochastic electrical signals make such prediction extremely challenging, while, on the other hand, they provide abundant additional information, such as voltage fluctuations, which may probe the degradation mechanisms. Here, we present chemistry-aware battery degradation prediction under dynamic conditions with machine learning, which integrates hidden Markov processes for realistic power simulations, an automated batch-testing system that generates a large electrochemical dataset under randomized conditions, an interfacial chemistry database derived from high-throughput X-ray photoelectron spectroscopy for mechanistic probing, and a machine learning model for prediction. By automatically constructing a polynomial-scale feature space from irregular electrochemical curves, our model accurately predicts both battery life and critical knee points. This feature space also predicts the composition of the solid electrolyte interphase, revealing six distinct failure mechanisms-demonstrating a viable approach to use electrical signals to infer interfacial chemistry. This work establishes a scalable and adaptive framework for integrating chemical engineering and data science to advance noninvasive diagnostics and optimize processes for more durable and sustainable energy storage technologies.
title Chemistry-aware battery degradation prediction under simulated real-world cyclic protocols
topic Signal Processing
Machine Learning
url https://arxiv.org/abs/2504.03701