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Active learning-assisted neutron spectroscopy with log-Gaussian processes

Neutron scattering experiments at three-axes spectrometers (TAS) investigate magnetic and lattice excitations by measuring intensity distributions to understand the origins of materials properties. The high demand and limited availability of beam time for TAS experiments however raise the natural qu...

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Autores principales: Teixeira Parente, Mario, Brandl, Georg, Franz, Christian, Stuhr, Uwe, Ganeva, Marina, Schneidewind, Astrid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10115805/
https://www.ncbi.nlm.nih.gov/pubmed/37076453
http://dx.doi.org/10.1038/s41467-023-37418-8
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author Teixeira Parente, Mario
Brandl, Georg
Franz, Christian
Stuhr, Uwe
Ganeva, Marina
Schneidewind, Astrid
author_facet Teixeira Parente, Mario
Brandl, Georg
Franz, Christian
Stuhr, Uwe
Ganeva, Marina
Schneidewind, Astrid
author_sort Teixeira Parente, Mario
collection PubMed
description Neutron scattering experiments at three-axes spectrometers (TAS) investigate magnetic and lattice excitations by measuring intensity distributions to understand the origins of materials properties. The high demand and limited availability of beam time for TAS experiments however raise the natural question whether we can improve their efficiency and make better use of the experimenter’s time. In fact, there are a number of scientific problems that require searching for signals, which may be time consuming and inefficient if done manually due to measurements in uninformative regions. Here, we describe a probabilistic active learning approach that not only runs autonomously, i.e., without human interference, but can also directly provide locations for informative measurements in a mathematically sound and methodologically robust way by exploiting log-Gaussian processes. Ultimately, the resulting benefits can be demonstrated on a real TAS experiment and a benchmark including numerous different excitations.
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spelling pubmed-101158052023-04-21 Active learning-assisted neutron spectroscopy with log-Gaussian processes Teixeira Parente, Mario Brandl, Georg Franz, Christian Stuhr, Uwe Ganeva, Marina Schneidewind, Astrid Nat Commun Article Neutron scattering experiments at three-axes spectrometers (TAS) investigate magnetic and lattice excitations by measuring intensity distributions to understand the origins of materials properties. The high demand and limited availability of beam time for TAS experiments however raise the natural question whether we can improve their efficiency and make better use of the experimenter’s time. In fact, there are a number of scientific problems that require searching for signals, which may be time consuming and inefficient if done manually due to measurements in uninformative regions. Here, we describe a probabilistic active learning approach that not only runs autonomously, i.e., without human interference, but can also directly provide locations for informative measurements in a mathematically sound and methodologically robust way by exploiting log-Gaussian processes. Ultimately, the resulting benefits can be demonstrated on a real TAS experiment and a benchmark including numerous different excitations. Nature Publishing Group UK 2023-04-19 /pmc/articles/PMC10115805/ /pubmed/37076453 http://dx.doi.org/10.1038/s41467-023-37418-8 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Teixeira Parente, Mario
Brandl, Georg
Franz, Christian
Stuhr, Uwe
Ganeva, Marina
Schneidewind, Astrid
Active learning-assisted neutron spectroscopy with log-Gaussian processes
title Active learning-assisted neutron spectroscopy with log-Gaussian processes
title_full Active learning-assisted neutron spectroscopy with log-Gaussian processes
title_fullStr Active learning-assisted neutron spectroscopy with log-Gaussian processes
title_full_unstemmed Active learning-assisted neutron spectroscopy with log-Gaussian processes
title_short Active learning-assisted neutron spectroscopy with log-Gaussian processes
title_sort active learning-assisted neutron spectroscopy with log-gaussian processes
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10115805/
https://www.ncbi.nlm.nih.gov/pubmed/37076453
http://dx.doi.org/10.1038/s41467-023-37418-8
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