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An image based prediction of the effective heat conductivity for highly heterogeneous microstructured materials is presented. The synthetic materials under consideration show different inclusion morphology, orientation, volume fraction and…

Computational Engineering, Finance, and Science · Computer Science 2019-04-02 Julian Lißner , Felix Fritzen

As data-driven methods rise in popularity in materials science applications, a key question is how these machine learning models can be used to understand microstructure. Given the importance of process-structure-property relations…

Artificial Intelligence · Computer Science 2017-11-02 Julia Ling , Maxwell Hutchinson , Erin Antono , Brian DeCost , Elizabeth A. Holm , Bryce Meredig

Heterogeneous materials abound in nature and man-made situations. Examples include porous media, biological materials, and composite materials. Diverse and interesting properties exhibited by these materials result from their complex…

Materials Science · Physics 2009-11-13 Y. Jiao , F. H. Stillinger , S. Torquato

Effective and accurate characterization and quantification of complex microstructure of a heterogeneous material and its evolution under external stimuli are very challenging, yet crucial to achieving reliable material performance…

Materials Science · Physics 2019-05-20 Pei-En Chen , Wenxiang Xu , Nikhilesh Chawla , Yi Ren , and Yang Jiao

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

Microstructure--property relationships are key to effective design of structural materials for advanced applications. Advances in computational methods enabled modeling microstructure-sensitive properties using 3D models (e.g., finite…

Materials Science · Physics 2023-03-20 Guangyu Hu , Marat I. Latypov

We apply recent advances in machine learning and computer vision to a central problem in materials informatics: The statistical representation of microstructural images. We use activations in a pre-trained convolutional neural network to…

Computational Physics · Physics 2018-12-04 Nicholas Lubbers , Turab Lookman , Kipton Barros

Protein function is inherently linked to its localization within the cell, and fluorescent microscopy data is an indispensable resource for learning representations of proteins. Despite major developments in molecular representation…

Quantitative Methods · Quantitative Biology 2022-05-25 Anastasia Razdaibiedina , Alexander Brechalov

Characterizing microstructure-material-property relations calls for software tools which extract point-cloud- and continuum-scale-based representations of microstructural objects. Application examples include atom probe, electron, and…

To gain insight into the mechanisms behind machine learning methods, it is crucial to establish connections among the features describing data points. However, these correlations often exhibit a high-dimensional and strongly nonlinear…

Machine Learning · Computer Science 2025-03-04 Lorenzo Basile , Santiago Acevedo , Luca Bortolussi , Fabio Anselmi , Alex Rodriguez

By using the most sensitive two-point correlation functions introduced to date, we reconstruct the microstructures of two-phase random media with heretofore unattained accuracy. Such media arise in a host of contexts, including porous and…

Materials Science · Physics 2015-06-03 Chase E. Zachary , Salvatore Torquato

A robot's ability to act is fundamentally constrained by what it can perceive. Many existing approaches to visual representation learning utilize general-purpose training criteria, e.g. image reconstruction, smoothness in latent space, or…

Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…

Numerical Analysis · Mathematics 2022-09-12 Xiaolong He , Qizhi He , Jiun-Shyan Chen

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

The versatile physical properties of heterogeneous materials are intimately related to their complex microstructures, which can be statistically characterized and modelled using various spatial correlation functions containing key…

Materials Science · Physics 2019-10-01 Yang Jiao

In this work, we present a deep collocation method for three dimensional potential problems in nonhomogeneous media. This approach utilizes a physics informed neural network with material transfer learning reducing the solution of the…

Machine Learning · Computer Science 2022-05-12 Hongwei Guo , Xiaoying Zhuang , Pengwan Chen , Naif Alajlan , Timon Rabczuk

Proteins encode diverse functions within complex three-dimensional structures, yet most deep learning representations remain highly entangled, obscuring the biophysical signals that underlie function. Here we introduce ProtDiS, a…

Biomolecules · Quantitative Biology 2026-05-26 Mingqing Wang , Zhiwei Nie , Athanasios V. Vasilakos , Yonghong He , Zhixiang Ren

Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

Computational Engineering, Finance, and Science · Computer Science 2022-12-29 Shiguang Deng

Deep learning techniques for point clouds have achieved strong performance on a range of 3D vision tasks. However, it is costly to annotate large-scale point sets, making it critical to learn generalizable representations that can transfer…

Computer Vision and Pattern Recognition · Computer Science 2022-04-18 Chao Huang , Zhangjie Cao , Yunbo Wang , Jianmin Wang , Mingsheng Long

In the first part of this series of two papers, we proposed a theoretical formalism that enables one to model and categorize heterogeneous materials (media) via two-point correlation functions S2 and introduced an efficient…

Materials Science · Physics 2009-11-13 Y. Jiao , F. H. Stillinger , S. Torquato
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