English

CryoFM: A Flow-based Foundation Model for Cryo-EM Densities

Biomolecules 2024-12-05 v2 Artificial Intelligence Computational Engineering, Finance, and Science Machine Learning

Abstract

Cryo-electron microscopy (cryo-EM) is a powerful technique in structural biology and drug discovery, enabling the study of biomolecules at high resolution. Significant advancements by structural biologists using cryo-EM have led to the production of over 38,626 protein density maps at various resolutions1. However, cryo-EM data processing algorithms have yet to fully benefit from our knowledge of biomolecular density maps, with only a few recent models being data-driven but limited to specific tasks. In this study, we present CryoFM, a foundation model designed as a generative model, learning the distribution of high-quality density maps and generalizing effectively to downstream tasks. Built on flow matching, CryoFM is trained to accurately capture the prior distribution of biomolecular density maps. Furthermore, we introduce a flow posterior sampling method that leverages CRYOFM as a flexible prior for several downstream tasks in cryo-EM and cryo-electron tomography (cryo-ET) without the need for fine-tuning, achieving state-of-the-art performance on most tasks and demonstrating its potential as a foundational model for broader applications in these fields.

Keywords

Cite

@article{arxiv.2410.08631,
  title  = {CryoFM: A Flow-based Foundation Model for Cryo-EM Densities},
  author = {Yi Zhou and Yilai Li and Jing Yuan and Quanquan Gu},
  journal= {arXiv preprint arXiv:2410.08631},
  year   = {2024}
}
R2 v1 2026-06-28T19:17:34.246Z