Author

E. Hofgard

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#machine learning Preprint Sep 2026

FrOGS: Discrete Neural Sampler for Independent Alloy Configurations Across Chemical Conditions

Free energy Offering Generative Sampler (FrOGS), a hybrid discrete neural sampler that couples an autoregressive model to a continuous-time Markov chain to be trained jointly under a single shared loss to produce estimates on a common absolute free-energy scale.

Kyucheol Min, E. Hofgard, T. Smidt · 1 citation · ⚡1

Preprint Jul 2026

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

This work constructs an invariant representation of the reciprocal lattice that is independent of primitive cell convention, based on the bispectrum--a descriptor built from spherical harmonic projections of lattice points that could serve more broadly as a geometry-aware target for other crystallographic machine learn...

E. Hofgard, Kyucheol Min, Nofit Segal et al. · 1 citation