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Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…

Materials Science · Physics 2022-06-22 Udaykumar Gajera , Loriano Storchi , Danila Amoroso , Francesco Delodovici , Silvia Picozzi

Machine learning and optimization algorithms have been widely applied in the design and optimization for photonic devices. In this article, we briefly review recent progress of this field of research and show some data-driven applications…

Optics · Physics 2020-07-15 Tian Zhang , Qi Liu , Yihang Dan , Shuai Yu , Xu Han , Jian Dai , Kun Xu

Machine learning is used to approximate density functionals. For the model problem of the kinetic energy of non-interacting fermions in 1d, mean absolute errors below 1 kcal/mol on test densities similar to the training set are reached with…

Computational Physics · Physics 2015-06-03 John C. Snyder , Matthias Rupp , Katja Hansen , Klaus-Robert Müller , Kieron Burke

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

The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Computational Physics · Physics 2023-12-27 Gabe Guo , Judah Goldfeder , Ling Lan , Aniv Ray , Albert Hanming Yang , Boyuan Chen , Simon JL Billinge , Hod Lipson

Sub-wavelength diffractive optics meta-optics present a multi-scale optical system, where the behavior of constituent sub-wavelength scatterers, or meta-atoms, need to be modelled by full-wave electromagnetic simulations, whereas the whole…

The predictive capabilities of machine learning (ML) models used in materials discovery are typically measured using simple statistics such as the root-mean-square error (RMSE) or the coefficient of determination ($r^2$) between…

Machine learning, especially deep learning, is dramatically changing the methods associated with optical thin-film inverse design. The vast majority of this research has focused on the parameter optimization (layer thickness, and structure…

Machine Learning · Computer Science 2021-02-19 Anqing Jiang , Liangyao Chen , Osamu Yoshie

Machine learning (ML) is a tool to exploit remote sensing data for the monitoring and implementation of the United Nations' Sustainable Development Goals (SDGs). In this paper, we report on a meta-analysis to evaluate the performance of ML…

Computers and Society · Computer Science 2026-01-13 Jonas Klingwort , Nina M. Leach , Joep Burger

Making kirigami-inspired cuts into a sheet has been shown to be an effective way of designing stretchable materials with metamorphic properties where the 2D shape can transform into complex 3D shapes. However, finding the optimal solutions…

Computational Physics · Physics 2018-12-21 Paul Z. Hanakata , Ekin D. Cubuk , David K. Campbell , Harold S. Park

Context: Machine learning (ML) may enable effective automated test generation. Objective: We characterize emerging research, examining testing practices, researcher goals, ML techniques applied, evaluation, and challenges. Methods: We…

Software Engineering · Computer Science 2023-04-18 Afonso Fontes , Gregory Gay

Electromagnetic metasurfaces have attracted significant interest recently due to their low profile and advantageous applications. Practically, many metasurface designs start with a set of constraints for the radiated far-field, such as…

Materials Science · Physics 2022-04-04 Stewart Pearson , Parinaz Naseri , Sean V. Hum

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…

Machine learning (ML) is the field of training machines to achieve high level of cognition and perform human-like analysis. Since ML is a data-driven approach, it seemingly fits into our daily lives and operations as well as complex and…

Machine Learning · Computer Science 2021-11-25 M. Z. Naser , Amir Alavi

The use of machine learning (ML) in chemical physics has enabled the construction of interatomic potentials having the accuracy of ab initio methods and a computational cost comparable to that of classical force fields. Training an ML model…

Chemical Physics · Physics 2023-06-21 Zeyuan Tang , Stefan T. Bromley , Bjørk Hammer

In this survey, we analyze the newest machine learning (ML) techniques for optical orthogonal frequency division multiplexing (O-OFDM)-based optical communications. ML has been proposed to mitigate channel and transceiver imperfections. For…

Machine Learning · Computer Science 2021-05-10 Hichem Mrabet , Elias Giaccoumidis , Iyad Dayoub

Highly robust and efficient estimators for the generalized linear model with a dispersion parameter are proposed. The estimators are based on three steps. In the first step the maximum rank correlation estimator is used to consistently…

Methodology · Statistics 2017-03-29 Michael Amiguet , Alfio Marazzi , Marina Valdora , Victor Yohai

Modern time-domain surveys continuously monitor large swaths of the sky to look for astronomical variability. Astrophysical discovery in such data sets is complicated by the fact that detections of real transient and variable sources are…

Instrumentation and Methods for Astrophysics · Physics 2015-06-11 Henrik Brink , Joseph W. Richards , Dovi Poznanski , Joshua S. Bloom , John Rice , Sahand Negahban , Martin Wainwright

Noncentrosymmetric materials play a critical role in many important applications such as laser technology, communication systems,quantum computing, cybersecurity, and etc. However, the experimental discovery of new noncentrosymmetric…

Computational Physics · Physics 2020-06-30 Yuqi Song , Joseph Lindsay , Yong Zhao , Alireza Nasiri , Steph-Yves Louis , Jie Ling , Ming Hu , Jianjun Hu

In this paper, five different approaches for reduced-order modeling of brittle fracture in geomaterials, specifically concrete, are presented and compared. Four of the five methods rely on machine learning (ML) algorithms to approximate…

Computational Engineering, Finance, and Science · Computer Science 2018-06-07 A. Hunter , B. A. Moore , M. K. Mudunuru , V. T. Chau , R. L. Miller , R. B. Tchoua , C. Nyshadham , S. Karra , D. O. Malley , E. Rougier , H. S. Viswanathan , G. Srinivasan
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