用低秩分解高效预测异质材料的弹性响应,仅需5%数据就精准建模。
Extended Low-Rank Approximation Accelerates Learning of Elastic Response in Heterogeneous Materials
- 通过扩展低秩分解,自适应融合高阶项,压缩微结构信息
- 仅用5%数据训练即准确预测孔隙微结构应变场,最大秩为4
- 模型轻量却可跨材料体系迁移,比现有方法快百万倍
预测微结构如何决定异质材料的力学响应对优化设计至关重要,但因微结构特征维度高、复杂,基于物理模拟探索微结构空间计算成本过高。为此,本文提出扩展低秩逼近(xLRA)框架,采用经典多项式张量分解,自适应引入高阶项,将高维微结构信息高效映射至局部弹性响应。xLRA在孔隙微结构上准确预测局部弹性应变场,最大秩仅为4。该紧凑形式在仅使用5%数据集的情况下实现高精度预测,展现显著数据效率。此外,xLRA具备跨材料体系的可迁移性,适用于双相复合材料及单/双相多晶体系。尽管模型紧凑,仍保留关键微结构细节,能对未见微结构作出准确预测。基准测试表明,xLRA在预测精度、泛化能力与计算效率上均优于现有方法,所需浮点运算量减少6个数量级。综上,xLRA为从微结构预测弹性响应提供了高效框架,支持大规模结构-性能关联映射。
原文摘要 · Abstract (English)
Predicting how the microstructure governs the mechanical response of heterogeneous materials is essential for optimizing design and performance. Yet this task remains difficult due to the complex, high dimensional nature of microstructural features. Relying on physics based simulations to probe the microstructural space is computationally prohibitive. This motivates the development of computational tools to efficiently learn structure property linkages governing mechanical behavior. While contemporary data driven approaches offer new possibilities, they often require large datasets. To address this challenge, this work presents the Extended Low Rank Approximation (xLRA), a framework that employs canonical polyadic tensor decomposition. It efficiently maps high dimensional microstructural information to the local elastic response by adaptively incorporating higher rank terms. xLRA accurately predicts the local elastic strain fields in porous microstructures, requiring a maximum rank of only 4. The compact formulation of xLRA achieves accurate predictions when trained on just 5% of the dataset, demonstrating significant data efficiency. Moreover, xLRA proves transferability by delivering results across representative material systems, including two phase composites and single and dual phase polycrystals. Despite being compact, xLRA retains essential microstructural details, enabling accurate predictions on unseen microstructures. Benchmarking shows that xLRA outperforms contemporary methods in predictive accuracy, generalizability, and computational efficiency, while requiring 6 orders of magnitude fewer floating point operations. In summary, xLRA provides an efficient framework for predicting the elastic response from microstructures, enabling scalable mapping of structure property linkages.
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