ED-CSP: Crystal Structure Prediction from Electron Diffraction

arXiv:2608.06448 · cs.LG, cs.AI · Submitted 2026-08-06 · Read on arXiv

cs.LG, cs.AI

Submitted: 2026-08-06

Updated: 2026-08-27

Comments: 9 pages

Code: https://github.com/germainPoloudenny/ED-CSP

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Composition — 34× in this paper · explained in 2 episodes
• Generator — 19× in this paper · explained in 2 episodes
• Benchmark — 11× in this paper · explained in 2 episodes
• Provenance — 4× in this paper · explained in 5 episodes
• Representation Learning — 4× in this paper · explained in 3 episodes
• Ablation — 3× in this paper · explained in 1 episode
• Ab Initio — 2× in this paper · explained in 1 episode
• Decoder — 2× in this paper · explained in 2 episodes
• Inverse Problem — 2× in this paper · explained in 2 episodes
• Adam — 1× in this paper · explained in 3 episodes
• Attention Mechanism — 1× in this paper · explained in 3 episodes
• Calibration — 1× in this paper · explained in 9 episodes
• Commentary — 1× in this paper · explained in 2 episodes
• Convolutional Neural Network (CNN) — 1× in this paper · explained in 2 episodes
• Diffusion Model — 1× in this paper · explained in 10 episodes
• Diffusion Models — 1× in this paper · explained in 9 episodes
• Evaluation Protocol — 1× in this paper · explained in 2 episodes
• Foundation Model — 1× in this paper · explained in 3 episodes
• Generative Model — 1× in this paper · explained in 2 episodes
• Generative Models — 1× in this paper · explained in 3 episodes

Sources

• Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models
• Atomistic Language Models Understand and Generate Materials
• Learning Smooth and Expressive Interatomic Potentials for Physical Property Prediction
• Experimental Powder X-ray Diffraction Crystal Structure Determination with RealPXRD-Solver
• Orb-v3: atomistic simulation at scale
• XRDiff: Crystal Structure Prediction from Powder X-Ray Diffraction Data Using Diffusion Models

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