Microstructure-Conditioned Surrogate Models for Graded Multiscale Optimization of Mycelium Composites

Abstract:Emerging sustainable materials increasingly rely on engineered hierarchy and microstructure to achieve control of their properties and mechanical behavior. Optimizing these materials with controllable microstructures requires efficient multiscale simulations. Data-driven surrogate models for the microscale can accelerate multiscale simulations, but require large amounts of data even for a fixed microstructure. When a range of microstructures is considered, as is the case in multiscale optimization, even more data is needed to train a surrogate. To overcome this challenge, we condition a hybrid physics-data surrogate on microstructural variables using a hypernetwork. This approach enables accurate predictions of multiscale mechanical behavior for a mycelium-woodchip composite material, even when trained on small datasets. The conditioned surrogate makes multiscale simulations of functionally graded structures tractable, and we validate it against a full FE^2 simulation. We optimize a graded multiscale disk, and reduce the peak stress by 43% compared to one with a random microstructure. Then, we go one step further, conditioning the network directly on manufacturing variables that can have a complex influence on the microstructure. This is a practical route to engineer the microscale for desired macroscale behavior. This contribution highlights the benefits of microarchitectured structures and demonstrates how conditioned surrogate models enable their multiscale optimization, which will accelerate the development and design of future sustainable materials and structures.

Machine Learning (cs.LG); Materials Science (cond-mat.mtrl-sci); Numerical Analysis (math.NA); Computational Physics (physics.comp-ph)

arXiv:2607.13688 [cs.LG]

(or arXiv:2607.13688v2 [cs.LG] for this version)

https://doi.org/10.48550/arXiv.2607.13688 Focus to learn more arXiv-issued DOI via DataCite

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