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arxivcs.LGcs.AI2026-07-22

AI-Driven Surrogate Models for Predicting Electrode-Scale Discharge Behavior in Lithium-Ion Batteries

Mengda Xing, Jean-Marie Lagniez, Alejandro Franco

Physics-based simulations are essential for understanding the electrode-scale discharge behavior of lithium-ion batteries (LIBs) but suffer from prohibitive computational costs. To address this, we introduce a novel deep learning surrogate pipeline based on the Swin3D Transformer to predict spatiotemporal discharge dynamics directly from volumetric data. Our approach integrates two key innovations: Gaussian Positional Encoding (GPE), which enhances spatial feature representation by adapting to the complex geometry of electrode microstructures, and a specialized Temporal Encoding module to capture non-linear timeseries evolution. Experimental validation on an Electrochemical Simulation (ES) dataset demonstrates that our pipeline significantly outperforms state-of-the-art point cloud baselines in prediction accuracy. Furthermore, the proposed method reduces the computational overhead by orders of magnitude, providing a scalable and efficient framework for high-throughput battery design and optimization.

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Long-horizon physics-based simulations of battery degradation provide mechanistic insight but remain computationally expensive, limiting their use for dense exploration of operating conditions over extended cycle life. Here, we propose a hybrid physics-probabilistic learning fram…

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