Accelerating the Generation of Molecular Conformations with Progressive Distillation of Equivariant Latent Diffusion Models

arXiv:2404.13491v1 Announce Type: cross
Abstract: Recent advances in fast sampling methods for diffusion models have demonstrated significant potential to accelerate generation on image modalities. We apply these methods to 3-dimensional molecular conformations by building on the recently introduced GeoLDM equivariant latent diffusion model (Xu et al., 2023). We evaluate trade-offs between speed gains and quality loss, as measured by molecular conformation structural stability. We introduce Equivariant Latent Progressive Distillation, a fast sampling algorithm that preserves geometric equivariance and accelerates generation …

abstract advances apply arxiv building cs.lg diffusion diffusion model diffusion models distillation image latent diffusion models q-bio.qm sampling type