XDecomposer uses set prediction and phase-query decomposition to jointly identify phases and reconstruct multiphase PXRD patterns without priors.
Equivariant diffusion solution for inorganic crystal structure determination from powder x-ray diffraction data.Nature Communications, 2026
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XDecomposer: Learning Prior-Free Set Decomposition for Multiphase X-ray Diffraction
XDecomposer uses set prediction and phase-query decomposition to jointly identify phases and reconstruct multiphase PXRD patterns without priors.