Capturing dynamical correlations using implicit neural representations

• URL: http://arxiv.org/abs/2304.03949v1
• Date: Sat, 8 Apr 2023 07:55:36 GMT
• Title: Capturing dynamical correlations using implicit neural representations
• Authors: Sathya Chitturi, Zhurun Ji, Alexander Petsch, Cheng Peng, Zhantao Chen, Rajan Plumley, Mike Dunne, Sougata Mardanya, Sugata Chowdhury, Hongwei Chen, Arun Bansil, Adrian Feiguin, Alexander Kolesnikov, Dharmalingam Prabhakaran, Stephen Hayden, Daniel Ratner, Chunjing Jia, Youssef Nashed, Joshua Turner
• Abstract summary: We develop an artificial intelligence framework which combines a neural network trained to mimic simulated data from a model Hamiltonian with automatic differentiation to recover unknown parameters from experimental data. In doing so, we illustrate the ability to build and train a differentiable model only once, which then can be applied in real-time to multi-dimensional scattering data.
• Score: 85.66456606776552
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: The observation and description of collective excitations in solids is a fundamental issue when seeking to understand the physics of a many-body system. Analysis of these excitations is usually carried out by measuring the dynamical structure factor, S(Q, $\omega$), with inelastic neutron or x-ray scattering techniques and comparing this against a calculated dynamical model. Here, we develop an artificial intelligence framework which combines a neural network trained to mimic simulated data from a model Hamiltonian with automatic differentiation to recover unknown parameters from experimental data. We benchmark this approach on a Linear Spin Wave Theory (LSWT) simulator and advanced inelastic neutron scattering data from the square-lattice spin-1 antiferromagnet La$_2$NiO$_4$. We find that the model predicts the unknown parameters with excellent agreement relative to analytical fitting. In doing so, we illustrate the ability to build and train a differentiable model only once, which then can be applied in real-time to multi-dimensional scattering data, without the need for human-guided peak finding and fitting algorithms. This prototypical approach promises a new technology for this field to automatically detect and refine more advanced models for ordered quantum systems.

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