Explainable machine learning in materials science

X Zhong, B Gallagher, S Liu, B Kailkhura… - npj computational …, 2022 - nature.com
Abstract Machine learning models are increasingly used in materials studies because of
their exceptional accuracy. However, the most accurate machine learning models are …

A review of the application of machine learning and data mining approaches in continuum materials mechanics

FE Bock, RC Aydin, CJ Cyron, N Huber… - Frontiers in …, 2019 - frontiersin.org
Machine learning tools represent key enablers for empowering material scientists and
engineers to accelerate the development of novel materials, processes and techniques. One …

Learning two-phase microstructure evolution using neural operators and autoencoder architectures

V Oommen, K Shukla, S Goswami… - npj Computational …, 2022 - nature.com
Phase-field modeling is an effective but computationally expensive method for capturing the
mesoscale morphological and microstructure evolution in materials. Hence, fast and …

Computational microstructure characterization and reconstruction: Review of the state-of-the-art techniques

R Bostanabad, Y Zhang, X Li, T Kearney… - Progress in Materials …, 2018 - Elsevier
Building sensible processing-structure-property (PSP) links to gain fundamental insights and
understanding of materials behavior has been the focus of many works in computational …

A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

K Matouš, MGD Geers, VG Kouznetsova… - Journal of Computational …, 2017 - Elsevier
Since the beginning of the industrial age, material performance and design have been in the
midst of innovation of many disruptive technologies. Today's electronics, space, medical …

Accelerating phase-field-based microstructure evolution predictions via surrogate models trained by machine learning methods

D Montes de Oca Zapiain, JA Stewart… - npj Computational …, 2021 - nature.com
The phase-field method is a powerful and versatile computational approach for modeling the
evolution of microstructures and associated properties for a wide variety of physical …

Material structure-property linkages using three-dimensional convolutional neural networks

A Cecen, H Dai, YC Yabansu, SR Kalidindi, L Song - Acta Materialia, 2018 - Elsevier
The core materials knowledge needed in the accelerated design, development, and
deployment of new and improved materials is most accessible when cast in the form of …

Modeling process–structure–property relationships in metal additive manufacturing: a review on physics-driven versus data-driven approaches

N Kouraytem, X Li, W Tan, B Kappes… - Journal of Physics …, 2021 - iopscience.iop.org
Metal additive manufacturing (AM) presents advantages such as increased complexity for a
lower part cost and part consolidation compared to traditional manufacturing. The multiscale …

Materials science in the artificial intelligence age: high-throughput library generation, machine learning, and a pathway from correlations to the underpinning physics

RK Vasudevan, K Choudhary, A Mehta… - MRS …, 2019 - cambridge.org
The use of statistical/machine learning (ML) approaches to materials science is
experiencing explosive growth. Here, we review recent work focusing on the generation and …

Improving direct physical properties prediction of heterogeneous materials from imaging data via convolutional neural network and a morphology-aware generative …

R Cang, H Li, H Yao, Y Jiao, Y Ren - Computational Materials Science, 2018 - Elsevier
Direct prediction of material properties from microstructures through statistical models has
shown to be a potential approach to accelerating computational material design with large …