Machine learning of microstructure--property relationships in materials leveraging microstructure representation from foundational vision transformers

Fuente: arXiv
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Main Authors: Whitman, Sheila E., Latypov, Marat I.
Format: Preprint
Published: 2025
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author Whitman, Sheila E.
Latypov, Marat I.
author_facet Whitman, Sheila E.
Latypov, Marat I.
contents Machine learning of microstructure--property relationships from data is an emerging approach in computational materials science. Most existing machine learning efforts focus on the development of task-specific models for each microstructure--property relationship. We propose utilizing pre-trained foundational vision transformers for the extraction of task-agnostic microstructure features and subsequent light-weight machine learning of a microstructure-dependent property. We demonstrate our approach with pre-trained state-of-the-art vision transformers (CLIP, DINOv2, SAM) in two case studies on machine-learning: (i) elastic modulus of two-phase microstructures based on simulations data; and (ii) Vicker's hardness of Ni-base and Co-base superalloys based on experimental data published in literature. Our results show the potential of foundational vision transformers for robust microstructure representation and efficient machine learning of microstructure--property relationships without the need for expensive task-specific training or fine-tuning of bespoke deep learning models.
format Preprint
id arxiv_https___arxiv_org_abs_2501_18637
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Machine learning of microstructure--property relationships in materials leveraging microstructure representation from foundational vision transformers
Whitman, Sheila E.
Latypov, Marat I.
Computer Vision and Pattern Recognition
Materials Science
Machine Learning
Computational Physics
Machine learning of microstructure--property relationships from data is an emerging approach in computational materials science. Most existing machine learning efforts focus on the development of task-specific models for each microstructure--property relationship. We propose utilizing pre-trained foundational vision transformers for the extraction of task-agnostic microstructure features and subsequent light-weight machine learning of a microstructure-dependent property. We demonstrate our approach with pre-trained state-of-the-art vision transformers (CLIP, DINOv2, SAM) in two case studies on machine-learning: (i) elastic modulus of two-phase microstructures based on simulations data; and (ii) Vicker's hardness of Ni-base and Co-base superalloys based on experimental data published in literature. Our results show the potential of foundational vision transformers for robust microstructure representation and efficient machine learning of microstructure--property relationships without the need for expensive task-specific training or fine-tuning of bespoke deep learning models.
title Machine learning of microstructure--property relationships in materials leveraging microstructure representation from foundational vision transformers
topic Computer Vision and Pattern Recognition
Materials Science
Machine Learning
Computational Physics
url https://arxiv.org/abs/2501.18637