Knowledge-Driven XRD Phase Identification via Multi-View Retrieval and Explanation

arXiv:2609.31888 · cond-mat.mtrl-sci, cs.LG · Submitted 2026-09-25 · Read on arXiv

cond-mat.mtrl-sci, cs.LG

Submitted: 2026-09-25

Updated: 2026-09-25

Code: https://github.com/lab-mids/xrd_

Terminology

• Embeddings — 27× in this paper · explained in 2 episodes
• Space Group — 27× in this paper
• Crystal System — 24× in this paper
• Accuracy — 18× in this paper · explained in 1 episode
• Integrated Gradients — 15× in this paper
• Latent Representation — 11× in this paper · explained in 2 episodes
• Latent Space — 10× in this paper · explained in 7 episodes
• Clustering — 8× in this paper · explained in 2 episodes
• Interpretability — 8× in this paper · explained in 15 episodes
• Robustness — 7× in this paper · explained in 5 episodes
• Cosine Similarity — 4× in this paper · explained in 3 episodes
• Latent Representations — 4× in this paper · explained in 3 episodes
• Regularization — 4× in this paper · explained in 3 episodes
• Representation Learning — 4× in this paper · explained in 2 episodes
• Crystallography Open Database — 3× in this paper
• Alignment — 2× in this paper · explained in 1 episode
• Contrastive Learning — 2× in this paper · explained in 5 episodes
• Data Augmentation — 2× in this paper · explained in 7 episodes
• Domain Shift — 2× in this paper · explained in 4 episodes
• Generalization — 2× in this paper · explained in 13 episodes
• Materials Project — 2× in this paper
• Reconstruction Error — 2× in this paper · explained in 2 episodes
• Aggregation — 1× in this paper · explained in 1 episode
• Attention Mechanism — 1× in this paper · explained in 3 episodes
• Distribution Shift — 1× in this paper · explained in 6 episodes
• Explainability — 1× in this paper · explained in 3 episodes
• Fidelity — 1× in this paper · explained in 2 episodes
• Generalizability — 1× in this paper · explained in 6 episodes
• Loss Function — 1× in this paper · explained in 2 episodes
• Multi-objective Optimization — 1× in this paper · explained in 4 episodes
• Principal Component Analysis (PCA) — 1× in this paper · explained in 4 episodes
• Sparsity — 1× in this paper · explained in 4 episodes
• Transformer — 1× in this paper · explained in 2 episodes
• Unified Framework — 1× in this paper · explained in 5 episodes

Sources

• Rapid Identification of X-ray Diffraction Spectra Based on Very Limited Data by Interpretable Convolutional Neural Networks
• Qwen2.5-Math Technical Report: Toward Mathematical Expert Model via Self-Improvement
• Electrocatalyst discovery through text mining and multi-objective optimization

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