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Showing 20 of 526 academic articles

DATA MINING AND MACHINE LEARNING IN ASTRONOMY

Nicholas M. Ball, Robert J. Brunner • International Journal of Modern Physics D (2010)

We review the current state of data mining and machine learning in astronomy. Data Mining can have a somewhat mixed connotation from the point of view of a researcher in this field. If used correctly, it can be a powerful approach, holding ...

OPENALEX Open Access DOI: https://doi.org/10.1142/s0218271810017160

Opportunities and Challenges for Machine Learning in Materials Science

Dane D. Morgan, Ryan Jacobs • Annual Review of Materials Research (2020)

Advances in machine learning have impacted myriad areas of materials science, such as the discovery of novel materials and the improvement of molecular simulations, with likely many more important developments to come. Given the rapid chang...

OPENALEX Open Access DOI: https://doi.org/10.1146/annurev-matsci-070218-010015

An introduction to quantum machine learning

Maria Schuld, Ilya Sinayskiy, Francesco Petruccione • Contemporary Physics (2014)

Machine learning algorithms learn a desired input-output relation from examples in order to interpret new inputs. This is important for tasks such as image and speech recognition or strategy optimisation, with growing applications in the IT...

OPENALEX Open Access DOI: https://doi.org/10.1080/00107514.2014.964942

Quantum Chemistry in the Age of Machine Learning

Pavlo O. Dral • The Journal of Physical Chemistry Letters (2020)

As the quantum chemistry (QC) community embraces machine learning (ML), the number of new methods and applications based on the combination of QC and ML is surging. In this Perspective, a view of the current state of affairs in this new and...

OPENALEX Open Access DOI: https://doi.org/10.1021/acs.jpclett.9b03664

Finding Density Functionals with Machine Learning

John C. Snyder, Matthias Rupp, Katja Hansen, Klaus‐Robert Müller et al. • Physical Review Letters (2012)

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

OPENALEX Open Access DOI: https://doi.org/10.1103/physrevlett.108.253002

Machine learning in polymer informatics

Wuxin Sha, Yan Li, Shun Tang, Jie Tian et al. • InfoMat (2021)

Abstract Polymers have been widely used in energy storage, construction, medicine, aerospace, and so on. However, the complexity of chemical composition and morphology of polymers has brought challenges to their development. Thanks to the i...

OPENALEX cc-by DOI: https://doi.org/10.1002/inf2.12167

Machine learning for quantum matter

Juan Carrasquilla • Advances in Physics X (2020)

Quantum matter, the research field studying phases of matter whose properties are intrinsically quantum mechanical, draws from areas as diverse as hard condensed matter physics, materials science, statistical mechanics, quantum information,...

OPENALEX cc-by DOI: https://doi.org/10.1080/23746149.2020.1797528

Physics-Informed Machine Learning

Steven L. Brunton, J. Nathan Kutz • Cambridge University Press eBooks (2022)

Data-driven discovery is revolutionizing how we model, predict, and control complex systems. Now with Python and MATLAB®, this textbook trains mathematical scientists and engineers for the next generation of scientific discovery by offering...

OPENALEX DOI: https://doi.org/10.1017/9781009089517.019

Machine Learning in Materials Science

Tim Mueller, Aaron Gilad Kusne, Rampi Ramprasad • Reviews in computational chemistry (2016)

This chapter addresses the role that data-driven approaches, especially machine learning methods, are expected to play in materials research in the immediate future. Machine learning, an important part of artificial intelligence, has made m...

OPENALEX DOI: https://doi.org/10.1002/9781119148739.ch4

Attractor reconstruction by machine learning

Zhixin Lu, Brian R. Hunt, Edward Ott • Chaos An Interdisciplinary Journal of Nonlinear Science (2018)

A machine-learning approach called "reservoir computing" has been used successfully for short-term prediction and attractor reconstruction of chaotic dynamical systems from time series data. We present a theoretical framework that describes...

OPENALEX Open Access DOI: https://doi.org/10.1063/1.5039508

Machine learning methods in chemoinformatics

John B. O. Mitchell • Wiley Interdisciplinary Reviews Computational Molecular Science (2014)

Machine learning algorithms are generally developed in computer science or adjacent disciplines and find their way into chemical modeling by a process of diffusion. Though particular machine learning methods are popular in chemoinformatics ...

OPENALEX cc-by DOI: https://doi.org/10.1002/wcms.1183 PMC: 4180928

Machine learning for combustion

Lei Zhou, Yuntong Song, Weiqi Ji, Haiqiao Wei • Energy and AI (2021)

Combustion science is an interdisciplinary study that involves nonlinear physical and chemical phenomena in time and length scales, including complex chemical reactions and fluid flows. Combustion widely supplies energy for powering vehicle...

OPENALEX cc-by-nc-nd DOI: https://doi.org/10.1016/j.egyai.2021.100128

Machine Learning for Fluid Mechanics

Steven L. Brunton, Bernd R. Noack, Petros Koumoutsakos • Annual Review of Fluid Mechanics (2019)

The field of fluid mechanics is rapidly advancing, driven by unprecedented volumes of data from experiments, field measurements, and large-scale simulations at multiple spatiotemporal scales. Machine learning (ML) offers a wealth of techniq...

OPENALEX Open Access DOI: https://doi.org/10.1146/annurev-fluid-010719-060214

Machine learning in materials science

Jing Wei, Xuan Chu, Xiangyu Sun, Kun Xu et al. • InfoMat (2019)

Abstract Traditional methods of discovering new materials, such as the empirical trial and error method and the density functional theory (DFT)‐based method, are unable to keep pace with the development of materials science today due to the...

OPENALEX cc-by DOI: https://doi.org/10.1002/inf2.12028