arXiv:2606.00938cs.CEcs.LG2026-06

用机器学习预测超弹性复合材料的等效力学参数,提升仿真效率。

Machine Learning Surrogate Modeling for Homogenization of Hyperelastic Materials with Boolean Microstructures

论文配图:Machine Learning Surrogate Modeling for Homogenization of Hyperelastic Materials with Boolean Microstructures
图 1 · 摘自论文原文
  • 基于统计描述符训练神经网络,预测材料等效Lamé参数。
  • 引入形状和相关函数描述符,使误差降低,精度更优。
  • 适合材料设计与快速仿真,尤其关注复杂微结构建模者。

数据驱动的代理模型可替代传统数值均质化方法。本文提出一种监督学习方法,从低维微结构描述符中预测双相随机微结构超弹性复合材料的有效Lamé参数。数据集源自先前发表的基于平面布尔模型生成的多组微结构数值均质化结果,涵盖包含形状、相位对比度和面积分数的变化;参考文献:Brändel 等(2022)。训练采用标量与曲线型统计描述符组合,包括面积分数、导出的标量形状描述符τ、二阶相关函数S₂(r)及线性路径函数ℓ(z)。为稳定训练并提升外推性能,加入参数空间极限情形数据。通过留一粒型交叉验证评估泛化能力,结果表明额外描述符可降低相对误差。使用τ与S₂(r)训练的预测器具备紧凑表示、良好定量精度与密集响应特性;加入ℓ(z)后,在采样点误差进一步减小,但密集后处理评估显示点精度提升未必保证采样点间的物理解释性行为。这提示未来需发展物理约束代理模型、损失函数设计、有界输出参数化及更系统的曲线型描述符表达方式。

原文摘要 · Abstract (English)

Data-driven surrogate models are an alternative to numerical homogenization of heterogeneous materials. In this contribution, a supervised learning approach is presented for predicting effective Lamé parameters of hyperelastic composites from low-dimensional microstructural descriptors. The data set is based on previously published numerical homogenization results for ensembles of two-phase stochastic microstructures generated by planar Boolean models, covering variations of inclusion shape, phase contrast, and area fraction; see Brändel, Brands, Maike, Rheinbach, Schröder, Schwarz and Stoyan (2022). A neural network is trained on combinations of scalar and curve-valued statistical descriptors, including the area fraction, a derived scalar shape descriptor $τ$, the two-point correlation function $S_2(r)$, and the lineal-path function $\ell(z)$. Additional data representing limiting cases of the parameter space are incorporated to stabilize training and improve extrapolation behavior. The surrogate is evaluated by leave-one-grain-type-out cross-validation in order to assess generalization to unseen grain geometries. Numerical results demonstrate that additional descriptors can reduce relative errors. A predictor trained with $τ$ and $S_2(r)$ provides a compact representation with good quantitative accuracy and regular dense response behavior. Adding the lineal-path function $\ell(z)$ further reduces the error at the available data points, indicating that it is a promising additional descriptor; however, dense post-training response evaluations show that improved pointwise accuracy does not automatically guarantee physically admissible behavior between sampled parameter values. This motivates future work on physically constrained surrogate models, loss formulations, bounded output parametrizations, and a more systematic representation of curve-valued geometric descriptors.

机器学习材料建模代理模型超弹性

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