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Robledo, J.I.* ; Frielinghaus, H.* ; Willendrup, P.* ; Lieutenant, K.*

Learning from virtual experiments to assist users of Small Angle Neutron Scattering in model selection.

Sci. Rep. 14, 11 (2024)
Publ. Version/Full Text DOI
Open Access Gold
In this work, we combine the advantages of virtual Small Angle Neutron Scattering (SANS) experiments carried out by Monte Carlo simulations with the recent advances in computer vision to generate a tool that can assist SANS users in small angle scattering model selection. We generate a dataset of almost 260.000 SANS virtual experiments of the SANS beamline KWS-1 at FRM-II, Germany, intended for Machine Learning purposes. Then, we train a recommendation system based on an ensemble of Convolutional Neural Networks to predict the SANS model from the two-dimensional scattering pattern measured at the position-sensitive detector of the beamline. The results show that the CNNs can learn the model prediction task, and that this recommendation system has a high accuracy in the classification task on 46 different SANS models. We also test the network with real data and explore the outcome. Finally, we discuss the reach of counting with the set of virtual experimental data presented here, and of such a recommendation system in the SANS user data analysis procedure.
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Publication type Article: Journal article
Document type Scientific Article
Keywords Convolutional Neural Network ; Machine Learning ; Monte Carlo ; Neutron ; Sans Dataset
Language english
Publication Year 2024
HGF-reported in Year 2024
ISSN (print) / ISBN 2045-2322
e-ISSN 2045-2322
Quellenangaben Volume: 14, Issue: 1, Pages: 11 Article Number: , Supplement: ,
Publisher Nature Publishing Group
Publishing Place London
Reviewing status Peer reviewed
Institute(s) Helmholtz AI - FZJ (HAI - FZJ)
Grants European Union
Scopus ID 85197252342
Erfassungsdatum 2024-07-09