Uncertainty-Aware Structure-Property Mapping of Spinodoid Metamaterials via Heteroscedastic Gaussian Process Regression

Abstract

Spinodoid metamaterials offer a broad, tunable design space for anisotropic mechanical properties, yet their structure-property relationships are commonly treated as representative mappings from cone-angle descriptors to single effective stiffness values. This deterministic view overlooks the stochastic nature of Gaussian random field (GRF)-based topology generation, where identical cone-angle descriptors can produce different morphology realizations and property scatter. Here, we present an uncertainty-aware structure-property mapping framework that reinterprets cone-angle descriptors as stochastic descriptors associated with input-dependent property distributions. Using heteroscedastic Gaussian process regression (GPR), the framework infers input-dependent predictive uncertainty from sparse one-realization-per-point data without requiring empirical variance labels at every design point. The results show that stiffness scatter differs across tensor components according to each component's mechanically active directions, and that parameter sets yielding identical mean stiffness can carry different aleatoric uncertainty. Applying this uncertainty to reliability-based design optimization (RBDO), we show that a deterministic optimum is highly susceptible to constraint violation once morphology-induced variability is considered, and that a homoscedastic RBDO formulation fails to meet the prescribed reliability target - only the heteroscedastic formulation satisfies the reliability target under the heteroscedastic uncertainty evaluation. This establishes uncertainty-aware surrogate modeling as essential for reliability-aware inverse design of spinodoid metamaterials; extending the framework to nonlinear responses remains for future work.