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stat.ML updates on arXiv.org

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Data-efficient Bayesian-guided design selection from larg...
[Submitted on 16 Mar 2026 (v1), last revised 8 Sep 2026 (this ve · 2026-03-17 · via stat.ML updates on arXiv.org

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Abstract:From a pool of admissible designs, we aim to identify a structure that achieves a target macroscopic stress response. For each candidate, the response is obtained from a high-fidelity oracle, such as expensive computational homogenization or experiments. We consider cases in which (i) the geometry cannot be conveniently parameterized, rendering gradient-based optimization inapplicable, and (ii) brute-force evaluation of all candidates is infeasible due to costly oracle queries. To tackle this challenge, we propose a Bayesian-guided design selection framework. The dimensionality of design variants is reduced through statistical feature engineering, and the resulting low-dimensional descriptors are mapped to effective hyperelastic constitutive parameters using a multi-output Gaussian process surrogate. The surrogate is trained using uncertainty-driven active learning with only a limited number of high-fidelity oracle evaluations. The surrogate shortlists promising candidates, and since its 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 design set of 50,000 candidate structures. Active learning requires labeling less than half a percent of the entire candidate set. Bayesian-guided design selection reaches a prescribed error threshold with only a handful of oracle evaluations in most cases.

Submission history

From: Hooman Danesh [view email]
[v1] Mon, 16 Mar 2026 21:09:57 UTC (3,292 KB)
[v2] Mon, 11 May 2026 14:54:40 UTC (3,283 KB)
[v3] Tue, 8 Sep 2026 14:05:28 UTC (3,870 KB)