arXiv:2511.08955cond-mat.mtrl-scics.CV2025-11中稿 · AAAI

首个图像微结构演化预测基准,揭示高效模型长期稳定性优势

MicroEvoEval: A Systematic Evaluation Framework for Image-Based Microstructure Evolution Prediction

  • 构建首个系统性评估框架,覆盖14种模型与四类任务
  • 现代架构(如VMamba)计算效率提升10倍,长期演化更稳定
  • 强调物理保真度,适合材料数据驱动研究者参考

微结构演化模拟对材料设计至关重要,但需高数值精度、效率和物理保真度。尽管深度学习提供了传统求解器的替代方案,该领域仍缺乏标准化基准。现有研究存在三方面缺陷:未对比专用模型与先进时空架构、过度关注数值精度而忽视物理保真度、未分析误差随时间传播。为此,我们提出MicroEvoEval,首个面向图像化微结构演化预测的综合性评估框架。评估涵盖14种模型(含领域专用与通用架构),在四个代表性任务上使用专为短/长期评估设计的数据集。评估不仅包含数值精度与计算成本,还引入一组结构保持指标以衡量物理保真度。结果表明,现代架构(如VMamba)不仅实现更优的长期稳定性和物理保真度,且计算效率提升一个数量级。研究强调全面评估的重要性,并指出此类架构是数据驱动材料科学中高效可靠代理模型的有力方向。

原文摘要 · Abstract (English)

Simulating microstructure evolution (MicroEvo) is vital for materials design but demands high numerical accuracy, efficiency, and physical fidelity. Although recent studies on deep learning (DL) offer a promising alternative to traditional solvers, the field lacks standardized benchmarks. Existing studies are flawed due to a lack of comparing specialized MicroEvo DL models with state-of-the-art spatio-temporal architectures, an overemphasis on numerical accuracy over physical fidelity, and a failure to analyze error propagation over time. To address these gaps, we introduce MicroEvoEval, the first comprehensive benchmark for image-based microstructure evolution prediction. We evaluate 14 models, encompassing both domain-specific and general-purpose architectures, across four representative MicroEvo tasks with datasets specifically structured for both short- and long-term assessment. Our multi-faceted evaluation framework goes beyond numerical accuracy and computational cost, incorporating a curated set of structure-preserving metrics to assess physical fidelity. Our extensive evaluations yield several key insights. Notably, we find that modern architectures (e.g., VMamba), not only achieve superior long-term stability and physical fidelity but also operate with an order-of-magnitude greater computational efficiency. The results highlight the necessity of holistic evaluation and identify these modern architectures as a highly promising direction for developing efficient and reliable surrogate models in data-driven materials science.

微结构演化深度学习材料科学评估框架

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