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