Model-free Analysis of Scattering and Imaging Data with Escort-Weighted Shannon Entropy and Divergence Matrices
Jared Coles, Arthur R. C. McCray, Yue Li, Bryan T. Fichera, Yan Wu, Yiqing Hao, Daniel Phelan, Yue Cao, Raymond Osborn, C. Phatak, Stephan Rosenkranz, Yu Li

TL;DR
This paper introduces a model-free data analysis method using escort-weighted Shannon entropy and divergence matrices to detect phase transitions in scattering and imaging data, applicable across various physical systems.
Contribution
It presents a novel framework that connects physical and informational entropy, enabling sensitive detection of phase transitions without physical models or order parameters.
Findings
Successfully detects phase transitions in neutron and X-ray scattering data.
Identifies a non-trivial phase transition in magnetic skyrmion lattices.
Shows divergence matrices outperform scalar entropy in change detection.
Abstract
We demonstrate a model-free data analysis framework that leverages escort-weighted Shannon Entropy and several divergence matrices to detect phase transitions in scattering and imaging datasets. By establishing a connection between physical entropy and informational entropy, this approach provides a sensitive method for identifying phase transitions without an explicit physical model or order parameter. We further show that pairwise divergence matrices, including Kullback-Leibler divergence, Jeffrey Divergence, Jensen-Shannon Divergence and antisymmetric Kullback-Leibler divergence, provide more comprehensive measures of statistical changes than scalar entropy alone. Our approach successfully detects the onset of both long- and short-range order in neutron and X-ray scattering data, as well as a non-trivial phase transition in magnetic skyrmion lattices observed through…
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Taxonomy
TopicsStatistical Mechanics and Entropy · Machine Learning in Materials Science · Quantum many-body systems
