Bayesian-guided inverse design of hyperelastic microstructures: Application to stochastic metamaterials

• URL: http://arxiv.org/abs/2603.15917v1
• Date: Mon, 16 Mar 2026 21:09:57 GMT
• Title: Bayesian-guided inverse design of hyperelastic microstructures: Application to stochastic metamaterials
• Abstract summary: Our aim is to identify a structure that achieves a target macroscopic stress response.<n>For each candidate design, the response is obtained from a high-fidelity oracle.<n>We propose a Bayesian-guided inverse design framework.
• Score: 0.34376560669160394
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: From a given pool of all feasible design variants, our aim is to identify a structure that achieves a target macroscopic stress response. For each candidate design, the response is obtained from a high-fidelity oracle, in particular, time- and resource-intensive computational homogenization or experiments. We consider the case where (i) the geometry cannot be conveniently parameterized, rendering gradient-based optimization inapplicable, and (ii) brute-force evaluation of all candidates is infeasible due to the cost of oracle queries. To tackle this challenge, we propose a Bayesian-guided inverse design framework that proceeds as follows. First, the dimensionality of the design variants is reduced through statistical feature engineering, and the resulting low-dimensional descriptors are mapped to effective constitutive parameters describing the macroscopic hyperelastic response. This mapping is modeled using a multi-output Gaussian process surrogate that accounts for correlations between the parameters. The surrogate is trained using uncertainty-driven active learning under severe budget constraints, allowing only a very limited number of high-fidelity oracle evaluations. Based on surrogate predictions, a finite number of promising candidates are shortlisted. Since the surrogate accuracy is inherently limited, the final selection of the optimal design is performed through high-fidelity oracle evaluations within the shortlist. In numerical test cases, we consider a dataset of 50,000 candidate structures. Active learning requires labeling less than half a percent of the full dataset. Bayesian-guided inverse design under unseen loading conditions reaches a prescribed error threshold with only a handful of oracle evaluations in the majority of cases.

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