CrystalBoltz performs experiment-guided posterior sampling with diffusion models on structure-factor amplitudes for protein structure determination, reporting lower RMSD and R-factors than baselines with 33x faster runtime.
Chan, Sara Fridovich-Keil, Frederic Poitevin, Ellen D
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A dual ascent optimization framework is introduced for MAP estimation with diffusion priors, claimed to outperform prior methods on image restoration in quality, noise robustness, speed, and data fidelity.
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CrystalBoltz: End-to-End Protein Structure Determination via Experiment-Guided Diffusion for X-Ray Crystallography
CrystalBoltz performs experiment-guided posterior sampling with diffusion models on structure-factor amplitudes for protein structure determination, reporting lower RMSD and R-factors than baselines with 33x faster runtime.
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Dual Ascent Diffusion for Inverse Problems
A dual ascent optimization framework is introduced for MAP estimation with diffusion priors, claimed to outperform prior methods on image restoration in quality, noise robustness, speed, and data fidelity.