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Successful materials innovations can transform society. However, materials research often involves long timelines and low success probabilities, dissuading investors who have expectations of shorter times from bench to business. A…

Machine learning (ML) based interatomic potentials are emerging tools for materials simulations but require a trade-off between accuracy and speed. Here we show how one can use one ML potential model to train another: we use an existing,…

Materials Science · Physics 2022-09-20 Joe D. Morrow , Volker L. Deringer

Practitioners from diverse occupations and backgrounds are increasingly using machine learning (ML) methods. Nonetheless, studies on ML Practitioners typically draw populations from Big Tech and academia, as researchers have easier access…

Machine Learning · Computer Science 2021-10-07 Aspen Hopkins , Serena Booth

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

Data-driven modeling based on Machine Learning (ML) is becoming a central component of protein engineering workflows. This perspective presents the elements necessary to develop effective, reliable, and reproducible ML models, and a set of…

Biomolecules · Quantitative Biology 2025-07-11 Fabio Herrera-Rocha , David Medina-Ortiz , Fabian Mauz , Juergen Pleiss , Mehdi D. Davari

The increasing deployment of advanced digital technologies such as Internet of Things (IoT) devices and Cyber-Physical Systems (CPS) in industrial environments is enabling the productive use of machine learning (ML) algorithms in the…

Machine Learning · Computer Science 2021-12-21 Nicolas Jourdan , Sagar Sen , Erik Johannes Husom , Enrique Garcia-Ceja , Tobias Biegel , Joachim Metternich

Large-scale atomistic computer simulations of materials rely on interatomic potentials providing computationally efficient predictions of energy and Newtonian forces. Traditional potentials have served in this capacity for over three…

Materials Science · Physics 2021-06-04 Y. Mishin

The preceding three decades have seen the emergence, rise, and proliferation of machine learning (ML). From half-recognised beginnings in perceptrons, neural nets, and decision trees, algorithms that extract correlations (that is, patterns)…

Machine Learning · Statistics 2017-04-18 Giles Hooker , Cliff Hooker

The application of Machine Learning (ML) to hydrologic modeling is fledgling. Its applicability to capture the dependencies on watersheds to forecast better within a short period is fascinating. One of the key reasons to adopt ML algorithms…

Machine Learning · Computer Science 2025-10-14 Supath Dhital

Machine learning techniques have been widely employed as effective tools in addressing various engineering challenges in recent years, particularly for the challenging task of microstructure-informed materials modeling. This work provides a…

Materials Science · Physics 2024-05-29 Xiang-Long Peng , Mozhdeh Fathidoost , Binbin Lin , Yangyiwei Yang , Bai-Xiang Xu

The field of machine learning (ML) is concerned with the question of how to construct algorithms that automatically improve with experience. In recent years many successful ML applications have been developed, such as datamining programs,…

Artificial Intelligence · Computer Science 2007-05-23 Sergio Alejandro Gomez , Carlos Ivan Chesñevar

ML 2.0: In this paper, we propose a paradigm shift from the current practice of creating machine learning models - which requires months-long discovery, exploration and "feasibility report" generation, followed by re-engineering for…

Artificial Intelligence · Computer Science 2018-07-03 James Max Kanter , Benjamin Schreck , Kalyan Veeramachaneni

Many industries are now investing heavily in data science and automation to replace manual tasks and/or to help with decision making, especially in the realm of leveraging computer vision to automate many monitoring, inspection, and…

Computer Vision and Pattern Recognition · Computer Science 2019-02-20 Raymond Bond , Ansgar Koene , Alan Dix , Jennifer Boger , Maurice D. Mulvenna , Mykola Galushka , Bethany Waterhouse Bradley , Fiona Browne , Hui Wang , Alexander Wong

Machine learning (ML) is increasingly being used in high-stakes applications impacting society. Therefore, it is of critical importance that ML models do not propagate discrimination. Collecting accurate labeled data in societal…

Machine Learning · Computer Science 2020-07-03 Hadis Anahideh , Abolfazl Asudeh , Saravanan Thirumuruganathan

In a world of daily emerging scientific inquisition and discovery, the prolific launch of machine learning across industries comes to little surprise for those familiar with the potential of ML. Neither so should the congruent expansion of…

Artificial Intelligence · Computer Science 2021-12-13 Brianna Richardson , Juan E. Gilbert

Machine Learning is transitioning from an art and science into a technology available to every developer. In the near future, every application on every platform will incorporate trained models to encode data-based decisions that would be…

Big data and machine learning are driving comprehensive economic and social transformations and are rapidly re-shaping the toolbox and the methodologies of applied scientists. Machine learning tools are designed to learn functions from data…

Fluid Dynamics · Physics 2024-04-16 M. A. Mendez , J. Dominique , M. Fiore , F. Pino , P. Sperotto , J. Van den Berghe

Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

Materials Science · Physics 2021-02-10 Fabio Le Piane , Matteo Baldoni , Francesco Mercuri

The recent development of machine learning (ML) and Deep Learning (DL) increases the opportunities in all the sectors. ML is a significant tool that can be applied across many disciplines, but its direct application to civil engineering…

Machine Learning · Computer Science 2024-09-04 Shashank Reddy Vadyala , Sai Nethra Betgeri1 , John C. Matthews , Elizabeth Matthews

Machine learning (ML) applications in medical artificial intelligence (AI) systems have shifted from traditional and statistical methods to increasing application of deep learning models. This survey navigates the current landscape of…

Machine Learning · Computer Science 2024-01-23 Elisa Warner , Joonsang Lee , William Hsu , Tanveer Syeda-Mahmood , Charles Kahn , Olivier Gevaert , Arvind Rao