arXiv:2602.19915cs.LG2026-02被引 1

用深度学习加速材料微观结构演化预测,又快又准。

Fully Convolutional Spatiotemporal Learning for Microstructure Evolution Prediction

  • 全卷积时空模型自监督训练,捕捉物理演化规律。
  • 比循环网络更快,预测精度达当前最优,计算成本更低。
  • 可推广到未见参数与空间域,适合材料模拟开发者。

理解并预测微观结构演化是材料科学的核心,直接影响材料性能。传统相场模拟虽精度高,但因需在精细时空网格上求解复杂偏微分方程,计算成本高昂。为此,我们提出一种基于深度学习的框架,利用自监督方式训练全卷积时空模型,输入为粒界生长和旋节分解等过程的仿真序列图像。该模型能有效学习底层物理动态,准确捕捉短期局部行为与长期统计特性,并在未见时空域、配置及材料参数下表现出良好泛化能力。相比循环神经网络,本方法在训练与推理阶段均显著降低计算开销,同时达到领先预测性能。本工作为材料科学中的时空学习建立可靠基准,提供可扩展的数据驱动替代方案,实现快速可靠的微观结构模拟。

原文摘要 · Abstract (English)

Understanding and predicting microstructure evolution is fundamental to materials science, as it governs the resulting properties and performance of materials. Traditional simulation methods, such as phase-field models, offer high-fidelity results but are computationally expensive due to the need to solve complex partial differential equations at fine spatiotemporal resolutions. To address this challenge, we propose a deep learning-based framework that accelerates microstructure evolution predictions while maintaining high accuracy. Our approach utilizes a fully convolutional spatiotemporal model trained in a self-supervised manner using sequential images generated from simulations of microstructural processes, including grain growth and spinodal decomposition. The trained neural network effectively learns the underlying physical dynamics and can accurately capture both short-term local behaviors and long-term statistical properties of evolving microstructures, while also demonstrating generalization to unseen spatiotemporal domains and variations in configuration and material parameters. Compared to recurrent neural architectures, our model achieves state-of-the-art predictive performance with significantly reduced computational cost in both training and inference. This work establishes a robust baseline for spatiotemporal learning in materials science and offers a scalable, data-driven alternative for fast and reliable microstructure simulations.

材料模拟时空建模深度学习

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