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

arXiv:2605.05866 · cs.AI, cond-mat.mtrl-sci, cs.LG · Submitted 2026-05-07 · Read on arXiv

cs.AI, cond-mat.mtrl-sci, cs.LG

Submitted: 2026-05-07

Updated: 2026-10-06

Code: https://github.com/Licht0812/XDecomposer

Terminology

• Accuracy — 1× in this paper · explained in 1 episode
• Fidelity — 1× in this paper · explained in 2 episodes
• Generalization — 1× in this paper · explained in 13 episodes

Sources

• AI-Driven Structure Refinement of X-ray Diffraction
• iTransformer: Inverted Transformers Are Effective for Time Series Forecasting
• Beyond Structure: Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction
• XMatcher: An Open-Source Framework for X-Ray Diffraction Phase Identification

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