English

SE(3)-MeanFlow: Few-Step Protein Backbone Generation on Lie Groups

Machine Learning 2026-07-29 v1 Artificial Intelligence

Abstract

Generative modeling of protein backbones promises the de novo design of proteins with prescribed structural and functional properties. Existing diffusion and flow-matching models produce high-quality backbones on SE(3)^N, but inference requires numerically integrating an ODE over hundreds of network evaluations, each involving a Lie group exponential map - a bottleneck for high-throughput design campaigns. We introduce SE(3)-MeanFlow, a few-step generative framework that extends MeanFlow from Euclidean space to the Lie group geometry of protein frames. Working natively in the Lie algebra so(3) and in R^3, we derive closed-form average-velocity identities for rotations and translations, giving simulation-free training targets. We further introduce an SE(3) alpha-Flow objective that removes the Jacobian-vector product from the rotation branch and serves as a warm-up stage, after which training switches to a small-t stabilized MeanFlow loss that is used for the remainder of pretraining and for rectification-based post-training. In protein backbone generation, SE(3)-MeanFlow matches or exceeds flow-matching baselines that use several times more sampling steps, and its advantage widens in the few-step regime, where rectification lets it lead at every matched budget - at a modest cost in diversity.

Cite

@article{arxiv.2607.27431,
  title  = {SE(3)-MeanFlow: Few-Step Protein Backbone Generation on Lie Groups},
  author = {Yikun Bai and Binghang Lu and Yikai Liu and Elaheh Akbari and Soheil Kolouri and Linxuan Wang and Ping He and Shuchan Wang and Ruqi Zhang and Guang Lin},
  journal= {arXiv preprint arXiv:2607.27431},
  year   = {2026}
}