SOFT METROPOLIS-HASTINGS CORRECTION FOR GENERATIVE MODEL SAMPLING
Hanqi Feng, Peng Qiu, Meng-Chun Zhang, You Fan, Yiran Tao, Barnabas Poczos
The paper introduces a soft Metropolis-Hastings correction for molecular diffusion models to improve chemical validity and structural stability in molecule generation.
bioRxiv · Sep 24, 2025 · PreprintBioinformatics