arXiv:2603.12365cond-mat.mtrl-scics.LG2026-03被引 5

用贝叶斯实验设计提升材料模型参数识别的可靠性

Optimal Experimental Design for Reliable Learning of History-Dependent Constitutive Laws

  • 基于贝叶斯框架优化实验设计,降低参数不确定性
  • 优化后的试样形状和加载路径使记忆效应参数可识别性显著提升
  • 适用于高成本材料测试,尤其适合复杂粘弹性材料研究

历史依赖型本构模型是微观力学聚集效应的宏观闭合表达。其参数通常从实验数据中学习。在实验预算有限的情况下,获取全面响应以完整表征本构关系十分困难,导致多种参数组合都能拟合数据,造成参数估计不确定或不可靠。为此,我们提出一种贝叶斯最优实验设计框架,通过量化、解释并最大化实验设计效用(定义为参数不确定性期望减少或信息增益),实现虚拟实验优化,降低物理实验成本。针对高维数据与昂贵前向模型,引入两项近似:(i) 信息增益的高斯近似,实现高效设计优化与解读;(ii) FIM 的代理近似,通过分摊重复评估成本,支持批量设计优化。对粘弹性固体单轴测试的数值研究表明,优化后的试样几何与加载路径生成的图像与力数据,显著提升参数可辨识性,尤其对记忆效应相关参数效果明显。

原文摘要 · Abstract (English)

History-dependent constitutive models serve as macroscopic closures for the aggregated effects of micromechanics. Their parameters are typically learned from experimental data. With a limited experimental budget, eliciting the full range of responses needed to characterize the constitutive relation can be difficult. As a result, the data can be well explained by a range of parameter choices, leading to parameter estimates that are uncertain or unreliable. To address this issue, we propose a Bayesian optimal experimental design framework to quantify, interpret, and maximize the utility of experimental designs for reliable learning of history-dependent constitutive models. In this framework, the design utility is defined as the expected reduction in parametric uncertainty or the expected information gain. This enables in silico design optimization using simulated data and reduces the cost of physical experiments for reliable parameter identification. We introduce two approximations that make this framework practical for advanced material testing with expensive forward models and high-dimensional data: (i) a Gaussian approximation of the expected information gain, and (ii) a surrogate approximation of the Fisher information matrix. The former enables efficient design optimization and interpretation, while the latter extends this approach to batched design optimization by amortizing the cost of repeated utility evaluations. Our numerical studies of uniaxial tests for viscoelastic solids show that optimized specimen geometries and loading paths yield image and force data that significantly improve parameter identifiability relative to random designs, especially for parameters associated with memory effects.

实验设计本构模型贝叶斯方法材料科学

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