Inverse stochastic microstructure design

AP Generale, AE Robertson, C Kelly, SR Kalidindi - Acta Materialia, 2024 - Elsevier
Abstract Inverse Microstructure Design problems are ubiquitous in materials science; for
example, property-driven microstructure design requires the inversion of a structure …

Fast reconstruction of microstructures with ellipsoidal inclusions using analytical descriptors

P Seibert, M Husert, MP Wollner, KA Kalina… - Computer-Aided …, 2024 - Elsevier
Microstructure reconstruction is an important and emerging aspect of computational
materials engineering and multiscale modeling and simulation. Despite extensive research …

Denoising diffusion probabilistic models for generative alloy design

P Fernandez-Zelaia, S Thapliyal, R Kannan… - Additive …, 2024 - Elsevier
Inverse material design is an extremely challenging optimization task made difficult by, in
part, the highly nonlinear relationship linking performance with composition. Quantitative …

Statistically conditioned polycrystal generation using denoising diffusion models

MO Buzzy, AE Robertson, SR Kalidindi - Acta Materialia, 2024 - Elsevier
Synthetic microstructure generation algorithms have emerged as a key tool for enabling
large ICME and Materials Informatics efforts. In particular, statistically conditioned generative …

Digital polycrystalline microstructure generation using diffusion probabilistic models

P Fernandez-Zelaia, J Cheng, J Mayeur, AK Ziabari… - Materialia, 2024 - Elsevier
Accurate micromechanical simulation of polycrystalline materials requires a realistic digital
representation of the grain scale microstructure. This work demonstrates the use of a …

Stochastic reconstruction of heterogeneous microstructure combining sliced Wasserstein distance and gradient optimization

Z Ma, Q Teng, P Yan, X Wu, X He - Acta Materialia, 2024 - Elsevier
Computational reconstruction methods play an important role in integrated computational
materials engineering, providing an efficient and inexpensive way for multi-modal and multi …

Active learning for the design of polycrystalline textures using conditional normalizing flows

MO Buzzy, DM de Oca Zapiain, AP Generale… - Acta Materialia, 2025 - Elsevier
Generative modeling has opened new avenues for solving previously intractable materials
design problems. However, these new opportunities are accompanied by a drastic increase …

Constructing boundary-identical microstructures via guided diffusion for fast multiscale topology optimization

J Feng, L Wang, X Zhai, K Chen, W Wu, L Liu… - Computer Methods in …, 2025 - Elsevier
Hierarchical structures exhibit critical features across multiple scales. However, designing
multiscale structures demands significant computational resources, and ensuring …

MICRO2D: A Large, Statistically Diverse, Heterogeneous Microstructure Dataset

AE Robertson, AP Generale, C Kelly, MO Buzzy… - Integrating Materials and …, 2024 - Springer
The availability of large, diverse datasets has enabled transformative advances in a wide
variety of technical fields by unlocking data scientific and machine learning techniques. In …

Self-supervised feature distillation and design of experiments for efficient training of micromechanical deep learning surrogates

P Fernandez-Zelaia, J Mayeur, J Cheng, Y Lee… - arxiv preprint arxiv …, 2024 - arxiv.org
Machine learning surrogate emulators are needed in engineering design and optimization
tasks to rapidly emulate computationally expensive physics-based models. In …