Recent advances and applications of machine learning in solid-state materials science

J Schmidt, MRG Marques, S Botti… - npj computational …, 2019 - nature.com
One of the most exciting tools that have entered the material science toolbox in recent years
is machine learning. This collection of statistical methods has already proved to be capable …

Recent applications of machine learning in alloy design: A review

M Hu, Q Tan, R Knibbe, M Xu, B Jiang, S Wang… - Materials Science and …, 2023 - Elsevier
The history of machine learning (ML) can be traced back to the 1950 s, and its application in
alloy design has recently begun to flourish and expand rapidly. The driving force behind this …

Autonomous experimentation systems for materials development: A community perspective

E Stach, B DeCost, AG Kusne, J Hattrick-Simpers… - Matter, 2021 - cell.com
Solutions to many of the world's problems depend upon materials research and
development. However, advanced materials can take decades to discover and decades …

Machine learning in materials science: From explainable predictions to autonomous design

G Pilania - Computational Materials Science, 2021 - Elsevier
The advent of big data and algorithmic developments in the field of machine learning (and
artificial intelligence, in general) have greatly impacted the entire spectrum of physical …

Machine learning in materials informatics: recent applications and prospects

R Ramprasad, R Batra, G Pilania… - npj Computational …, 2017 - nature.com
Propelled partly by the Materials Genome Initiative, and partly by the algorithmic
developments and the resounding successes of data-driven efforts in other domains …

Active learning in materials science with emphasis on adaptive sampling using uncertainties for targeted design

T Lookman, PV Balachandran, D Xue… - npj Computational …, 2019 - nature.com
One of the main challenges in materials discovery is efficiently exploring the vast search
space for targeted properties as approaches that rely on trial-and-error are impractical. We …

A unified framework for stochastic optimization

WB Powell - European journal of operational research, 2019 - Elsevier
Stochastic optimization is an umbrella term that includes over a dozen fragmented
communities, using a patchwork of sometimes overlap** notational systems with …

Simulation optimization: a review of algorithms and applications

S Amaran, NV Sahinidis, B Sharda, SJ Bury - Annals of Operations …, 2016 - Springer
Simulation optimization (SO) refers to the optimization of an objective function subject to
constraints, both of which can be evaluated through a stochastic simulation. To address …

Deep exploration via randomized value functions

I Osband, B Van Roy, DJ Russo, Z Wen - Journal of Machine Learning …, 2019 - jmlr.org
We study the use of randomized value functions to guide deep exploration in reinforcement
learning. This offers an elegant means for synthesizing statistically and computationally …

Autonomy in materials research: a case study in carbon nanotube growth

P Nikolaev, D Hooper, F Webber, R Rao… - npj Computational …, 2016 - nature.com
Advances in materials are an important contributor to our technological progress, and yet the
process of materials discovery and development itself is slow. Our current research process …