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20242026
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physics.comp-ph2026

Learning Lattice Parameters from Powder X-Ray Diffraction Data Using Invariants

Elyssa Hofgard, Kyucheol Min, Nofit Segal +7

We present a machine learning (ML) method to determine unit cell parameters from powder X-Ray diffraction (XRD) data using a novel invariant lattice representation. In ML, the data…