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Properties of crystalline materials are closely linked to microstructure arising from the spatial arrangement, orientation, and phase of nanocrystals. Rapid characterization of crystalline microstructure can accelerate the identification of…

Materials Science · Physics 2026-02-16 Kwanghwi Je , Ellis R. Kennedy , Sungin Kim , Yao Yang , Erik H. Thiede

In Materials Science, material development involves evaluating and optimizing the internal structures of the material, generically referred to as microstructures. Microstructures structure is stochastic, analogously to image textures. A…

Machine Learning · Computer Science 2024-08-06 Sayed Sajad Hashemi , Michael Guerzhoy , Noah H. Paulson

Unsupervised learning has always been appealing to machine learning researchers and practitioners, allowing them to avoid an expensive and complicated process of labeling the data. However, unsupervised learning of complex data is…

Computer Vision and Pattern Recognition · Computer Science 2020-11-10 Evgenii Zheltonozhskii , Chaim Baskin , Alex M. Bronstein , Avi Mendelson

Micro-Electro-Mechanical-Systems are complex structures, often involving nonlinearites of geometric and multiphysics nature, that are used as sensors and actuators in countless applications. Starting from full-order representations, we…

Dynamical Systems · Mathematics 2023-04-04 Giorgio Gobat , Stefania Fresca , Andrea Manzoni , Attilio Frangi

Subspace clustering is an important unsupervised clustering approach. It is based on the assumption that the high-dimensional data points are approximately distributed around several low-dimensional linear subspaces. The majority of the…

Machine Learning · Computer Science 2021-12-20 Maryam Abdolali , Nicolas Gillis

Understanding and predicting microstructure evolution is fundamental to materials science, as it governs the resulting properties and performance of materials. Traditional simulation methods, such as phase-field models, offer high-fidelity…

Machine Learning · Computer Science 2026-02-24 Michael Trimboli , Mohammed Alsubaie , Sirani M. Perera , Ke-Gang Wang , Xianqi Li

A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the…

Computational Physics · Physics 2025-07-25 Mohammad Saber Hashemi , Masoud Safdari , Azadeh Sheidaei

The paper demonstrates the use of variational autoencoders for graphical representation of a large database containing process-microstructure relationships. Correlating microstructural features to processing is an essential first step to…

Computational Physics · Physics 2020-04-28 Srihari Sundar , Veera Sundararaghavan

Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver predictive microstructure evolution dynamics with huge savings…

Materials Science · Physics 2024-01-22 Shaoxun Fan , Andrew L. Hitt , Ming Tang , Babak Sadigh , Fei Zhou

Understanding structure-property relationships in complex materials requires integrating complementary measurements across multiple length scales. Here we propose an interpretable "multimodal" machine learning framework that unifies…

Materials Science · Physics 2026-02-03 Shun Muroga , Hideaki Nakajima , Taiyo Shimizu , Kazufumi Kobashi , Kenji Hata

In the field of materials science, microscopy is the first and often only accessible method for structural characterization. There is a growing interest in the development of machine learning methods that can automate the analysis and…

Materials Science · Physics 2022-09-28 Shizhao Lu , Brian Montz , Todd Emrick , Arthi Jayaraman

Cognitive neuroscience is enjoying rapid increase in extensive public brain-imaging datasets. It opens the door to large-scale statistical models. Finding a unified perspective for all available data calls for scalable and automated…

Machine Learning · Statistics 2019-05-16 Arthur Mensch , Julien Mairal , Danilo Bzdok , Bertrand Thirion , Gaël Varoquaux

Many material response functions depend strongly on microstructure, such as inhomogeneities in phase or orientation. Homogenization presents the task of predicting the mean response of a sample of the microstructure to external loading for…

Machine Learning · Computer Science 2022-10-04 Reese Jones , Cosmin Safta , Ari Frankel

The vast combination of material properties seen in nature are achieved by the complexity of the material microstructure. Advanced characterization and physics based simulation techniques have led to generation of extremely large…

Machine Learning · Computer Science 2023-01-12 Veera Sundararaghavan , Megna N. Shah , Jeff P. Simmons

Accelerating materials development requires quantitative linkages between processing, microstructure, and properties. In this work, we introduce a framework for mapping microstructure onto a low-dimensional material manifold that is…

Materials Science · Physics 2026-05-20 Simon A. Mason , Megna N. Shah , Jeffrey P. Simmons , Dennis M. Dimiduk , Stephen R. Niezgoda

Unsupervised machine learning methods are used to identify structural changes using the melting point transition in classical molecular dynamics simulations as an example application of the approach. Dimensionality reduction and clustering…

Computational Physics · Physics 2018-12-06 Nicholas Walker , Ka-Ming Tam , Brian Novak , M. Jarrell

Performing machine learning on structured data is complicated by the fact that such data does not have vectorial form. Therefore, multiple approaches have emerged to construct vectorial representations of structured data, from kernel and…

Machine Learning · Computer Science 2019-05-16 Benjamin Paaßen , Claudio Gallicchio , Alessio Micheli , Alessandro Sperduti

This paper investigates a fundamental problem of scene understanding: how to parse a scene image into a structured configuration (i.e., a semantic object hierarchy with object interaction relations). We propose a deep architecture…

Computer Vision and Pattern Recognition · Computer Science 2018-01-30 Ruimao Zhang , Liang Lin , Guangrun Wang , Meng Wang , Wangmeng Zuo

Unstructured grid data are essential for modelling complex geometries and dynamics in computational physics. Yet, their inherent irregularity presents significant challenges for conventional machine learning (ML) techniques. This paper…

We use graphical methods to probe neural nets that classify images. Plots of t-SNE outputs at successive layers in a network reveal increasingly organized arrangement of the data points. They can also reveal how a network can diminish or…

Machine Learning · Computer Science 2021-07-28 Christopher R. Hoyt , Art B. Owen