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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Xiaohong Shao

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Preprint Aug 2026

Diagnosing and narrowing the simulation-to-real gap in powder X-ray diffraction with a wet-dry agentic loop

Powder X-ray diffraction (PXRD) is the routine probe of crystalline matter, yet its analysis is the rate-limiting step as laboratories automate acquisition. Deep-learning analyzers excel on simulated patterns and degrade on measured ones. This simulation-to-real gap is structural, not additive: synthetic denoising give...

Shaoguang Wang, Weiyu Guo, Ben Fei et al. · 0 citations
Preprint Aug 2026

Diagnosing and narrowing the simulation-to-real gap in powder X-ray diffraction with a wet-dry agentic loop

Powder X-ray diffraction (PXRD) is the routine probe of crystalline matter, yet its analysis is the rate-limiting step as laboratories automate acquisition. Deep-learning analyzers excel on simulated patterns and degrade on measured ones. This simulation-to-real gap is structural, not additive: synthetic denoising give...

Shaoguang Wang, Weiyu Guo, Ben Fei et al. · 0 citations

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