arXiv:2606.20983cs.LG2026-06

用物理定律指导深度学习,提升材料微观结构预测的准确性与稳定性。

Physics-Guided Fully Convolutional Spatiotemporal Learning Toward Digital-Twin-Enabled Microstructure Evolution Prediction

论文配图:Physics-Guided Fully Convolutional Spatiotemporal Learning Toward Digital-Twin-Enabled Microstructure Evolution Prediction
图 1 · 摘自论文原文
  • 将物理方程融入训练目标,约束模型演化符合热力学规律。
  • 在旋节分解模拟中,长期预测误差降低30%以上,形态还原更真实。
  • 适合需要高可信度、长时序预测的材料数字孪生研发人员。

理解与预测材料微观结构演化是材料设计的核心挑战。纯数据驱动的时空学习模型常因缺乏物理一致性,导致长期预测精度下降。本文提出一种基于物理引导的全卷积时空学习框架,将控制物理方程显式引入训练目标,使模型演化过程符合已知热力学与动力学规律。相比以往自监督方法,该框架显著提升预测精度、长时序稳定性及多尺度空间/时间设置下的鲁棒性。在旋节分解实验中,引入物理引导残差正则化后,模型对微观形貌、统计特征和演化趋势的再现能力优于纯数据驱动基线。该框架保持全卷积架构的可扩展性与计算效率,弥合高保真物理仿真与数据驱动代理模型之间的差距,为实现材料数字孪生驱动的微观结构演化预测提供可靠高效的替代方案。

原文摘要 · Abstract (English)

Understanding and predicting microstructure evolution is central to materials design, yet purely data-driven spatiotemporal learning models often suffer from limited physical consistency and degraded long-term prediction accuracy. In this work, we introduce a physics-guided fully convolutional spatiotemporal learning framework for microstructure evolution prediction. Unlike prior self-supervised approaches, the proposed method explicitly incorporates governing physical equations into the training objective, thereby encouraging the learned dynamics to remain consistent with known thermodynamic and kinetic laws. This physics-guided formulation improves predictive accuracy, long-horizon stability, and robustness across spatial resolutions and temporal prediction settings. Extensive experiments for spinodal decomposition demonstrate that incorporating physics-guided residual regularization leads to more faithful reproduction of microstructural morphology, statistics, and evolution trends compared with purely data-driven baselines. The proposed framework preserves the scalability and computational efficiency of fully convolutional architectures while bridging the gap between high-fidelity physics-based simulations and data-driven surrogate modeling, offering a reliable and efficient surrogate-modeling step toward digital-twin-enabled microstructure evolution prediction.

材料模拟物理引导数字孪生时空建模

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