Capturing dynamical correlations using implicit neural representations

Chitturi, Sathya R.; Ji, Zhurun; Petsch, Alexander N.; Peng, Cheng; Chen, Zhantao; Plumley, Rajan; Dunne, Mike; Mardanya, Sougata; Chowdhury, Sugata; Chen, Hongwei; Bansil, Arun; Feiguin, Adrian; Kolesnikov, Alexander I.; Prabhakaran, Dharmalingam; Hayden, Stephen M.; Ratner, Daniel; Jia, Chunjing; Nashed, Youssef; Turner, Joshua J.

doi:10.1038/s41467-023-41378-4

Title: Capturing dynamical correlations using implicit neural representations

Journal Article · 20 September 2023 · Nature Communications

DOI: https://doi.org/10.1038/s41467-023-41378-4 · OSTI ID:2001152

;

; Peng, Cheng; Chen, Zhantao; Plumley, Rajan; Dunne, Mike;

; Chowdhury, Sugata;

;

; Ratner, Daniel;

; Nashed, Youssef;

Abstract Understanding the nature and origin of collective excitations in materials is of fundamental importance for unraveling the underlying physics of a many-body system. Excitation spectra are usually obtained by measuring the dynamical structure factor, S ( Q , ω ), using inelastic neutron or x-ray scattering techniques and are analyzed by comparing the experimental results against calculated predictions. We introduce a data-driven analysis tool which leverages ‘neural implicit representations’ that are specifically tailored for handling spectrographic measurements and are able to efficiently obtain unknown parameters from experimental data via automatic differentiation. In this work, we employ linear spin wave theory simulations to train a machine learning platform, enabling precise exchange parameter extraction from inelastic neutron scattering data on the square-lattice spin-1 antiferromagnet La ₂ NiO ₄ , showcasing a viable pathway towards automatic refinement of advanced models for ordered magnetic systems.

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Sponsoring Organization:: USDOE

OSTI ID:: 2001152

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 14; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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