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High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Machine-learning (ML) techniques have revolutionized a host of research fields of chemical and materials science with accelerated, high-efficiency discoveries in design, synthesis, manufacturing, characterization and application of novel…

Materials Science · Physics 2021-08-31 Zhexu Xi

Dynamic manufacturing processes exhibit complex characteristics defined by time-varying parameters, nonlinear behaviors, and uncertainties. These characteristics require sophisticated in-situ monitoring techniques utilizing multimodal…

Machine Learning · Computer Science 2025-08-26 Suk Ki Lee , Hyunwoong Ko

Materials design and development typically takes several decades from the initial discovery to commercialization with the traditional trial and error development approach. With the accumulation of data from both experimental and…

Materials Science · Physics 2017-07-18 Xiaojiao Yu

For many decades, experimental solid mechanics has played a crucial role in characterizing and understanding the mechanical properties of natural and novel materials. Recent advances in machine learning (ML) provide new opportunities for…

Machine Learning · Computer Science 2023-09-07 Hanxun Jin , Enrui Zhang , Horacio D. Espinosa

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and…

The influence of machine learning (ML) is quickly spreading, and a number of recent technological innovations have applied ML as a central technology. However, ML development still requires a substantial amount of human expertise to be…

Machine Learning · Computer Science 2021-05-04 Simon Enni , Ira Assent

The development of Machine Learning (ML) models is more than just a special case of software development (SD): ML models acquire properties and fulfill requirements even without direct human interaction in a seemingly uncontrollable manner.…

In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution,…

Materials Science · Physics 2023-09-27 Sue Sin Chong , Yi Sheng Ng , Hui-Qiong Wang , Jin-Cheng Zheng

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

Machine learning (ML) has emerged as a powerful tool for tackling complex regression and classification tasks, yet its success often hinges on the quality of training data. This study introduces an ML paradigm inspired by domain knowledge…

Machine Learning · Computer Science 2025-01-10 Mohsen Rashki

When designing new materials, it is often necessary to tailor the material design (with respect to its design parameters) to have some desired properties (e.g. Young's modulus). As the set of design parameters grow, the search space grows…

Machine Learning · Computer Science 2026-02-12 Shaan Pakala , Aldair E. Gongora , Brian Giera , Evangelos E. Papalexakis

Machine learning (ML)-accelerated discovery requires large amounts of high-fidelity data to reveal predictive structure-property relationships. For many properties of interest in materials discovery, the challenging nature and high cost of…

Chemical Physics · Physics 2021-11-04 Aditya Nandy , Chenru Duan , Heather J. Kulik

We use machine learning (ML) to infer stress and plastic flow rules using data from repre- sentative polycrystalline simulations. In particular, we use so-called deep (multilayer) neural networks (NN) to represent the two response…

Computational Physics · Physics 2018-09-05 Reese E. Jones , Jeremy A. Templeton , Clay M. Sanders , Jakob T. Ostien

Design research is important for understanding and interrogating how emerging technologies shape human experience. However, design research with Machine Learning (ML) is relatively underdeveloped. Crucially, designers have not found a grasp…

Human-Computer Interaction · Computer Science 2021-10-19 Jesse Josua Benjamin , Arne Berger , Nick Merrill , James Pierce

Applied machine learning (ML) has rapidly spread throughout the physical sciences; in fact, ML-based data analysis and experimental decision-making has become commonplace. We suggest a shift in the conversation from proving that ML can be…

Materials Science · Physics 2021-12-21 Naohiro Fujinuma , Brian L. DeCost , Jason Hattrick-Simpers , Samuel E. Lofland

The key to success in machine learning (ML) is the use of effective data representations. Traditionally, data representations were hand-crafted. Recently it has been demonstrated that, given sufficient data, deep neural networks can learn…

Machine Learning · Computer Science 2018-11-09 Ivan Olier , Oghenejokpeme I. Orhobor , Joaquin Vanschoren , Ross D. King

This paper systematically reviews the research progress and application prospects of machine learning technologies in the field of polymer materials. Currently, machine learning methods are developing rapidly in polymer material research;…

Materials Science · Physics 2025-10-31 Hongtao Guo Shuai Li Shu Li

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev
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