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XDecomposer: Learning Prior-Free Set Decomposition for Multiphase X-ray Diffraction

Gao, Hanyu et al.
arXiv (All) · Papers
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artificial-intelligencei-2-6i-2-7machine-learningmaterials-science
Multiphase powder X-ray diffraction (PXRD) analysis remains a fundamental bottleneck in structure identification, as real-world synthesis often produces complex mixtures whose constituent phases (components) cannot be reliably disentangled. While recent advances in representation-based crystal retri
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