PXtal: Learning to Align Powder X-Ray Diffraction and Crystal Structures under Information Asymmetry across Modalities

Name: PXtal: Learning to Align Powder X-Ray Diffraction and Crystal Structures under Information Asymmetry across Modalities
Uploaded: 2026-10-16T00:09:09.880045+00:00
Duration: 816 s
Description: PXtal is a framework that learns to align powder X-ray diffraction (PXRD) patterns with their corresponding crystal structures, despite inherent information asymmetry between the two modalities. It uses Unbalanced Optimal Transport and GKL divergence to adapt encoders, improving retrieval accuracy for distinct but similar patterns and enhancing transferability of learned representations.

PXtal is a framework that learns to align powder X-ray diffraction (PXRD) patterns with their corresponding crystal structures, despite inherent information asymmetry between the two modalities. It uses Unbalanced Optimal Transport and GKL divergence to adapt encoders, improving retrieval accuracy for distinct but similar patterns and enhancing transferability of learned representations.

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