EmbedOpt optimizes the conditional embedding of protein diffusion models at inference time to shift the structural prior toward experimental constraints, outperforming coordinate-based posterior sampling on cryo-EM fitting while remaining robust across hyperparameter ranges.
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Robust Inference-Time Steering of Protein Diffusion Models via Embedding Optimization
EmbedOpt optimizes the conditional embedding of protein diffusion models at inference time to shift the structural prior toward experimental constraints, outperforming coordinate-based posterior sampling on cryo-EM fitting while remaining robust across hyperparameter ranges.