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

arXiv: https://arxiv.org/abs/2607.20577 · HTML: https://mlsanity.com/paper/2607.20577/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 9 of its 13 references that are in the map.
- First posted on arXiv 22 Jul 2026.

## Builds on (most cited first, 9 of 9)

- [Swin Transformer: Hierarchical Vision Transformer using Shifted Windows](https://mlsanity.com/paper/2103.14030/) (2021)
- [PointNet: Deep Learning on Point Sets for 3D Classification and Segmentation](https://mlsanity.com/paper/1612.00593/) (2016)
- [PointNet++: Deep Hierarchical Feature Learning on Point Sets in a Metric Space](https://mlsanity.com/paper/1706.02413/) (2017)
- [Dynamic Graph CNN for Learning on Point Clouds](https://mlsanity.com/paper/1801.07829/) (2018)
- [Point Transformer](https://mlsanity.com/paper/2011.00931/) (2020)
- [Point-BERT: Pre-training 3D Point Cloud Transformers with Masked Point Modeling](https://mlsanity.com/paper/2111.14819/) (2021)
- [Point Transformer V2: Grouped Vector Attention and Partition-based Pooling](https://mlsanity.com/paper/2210.05666/) (2022)
- [Panoptic Lifting for 3D Scene Understanding with Neural Fields](https://mlsanity.com/paper/2212.09802/) (2022)
- [Swin3D: A Pretrained Transformer Backbone for 3D Indoor Scene Understanding](https://mlsanity.com/paper/2304.06906/) (2023)

## Abstract (arXiv)

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.