English

LineageFlow: Flow Matching for High-Fidelity Family-Aware Protein Sequence Generation

Computational Engineering, Finance, and Science 2026-05-25 v2

Abstract

Protein sequence generation for engineering requires samples that are biophysically plausible and, when targeting a family/domain, remain recognizable members while exploring within-family diversity. Current discrete generative models typically start from uniform or masked-token noise, which discards strong position-specific constraints induced by evolution and forces the model to reconstruct conserved residues from scratch, leading to weak family control and low plausibility. We propose \emph{LineageFlow}, a Dirichlet flow-matching model that initializes generation from lineage priors derived from ancestral sequence reconstruction, turning generation into structured mutation from an evolved scaffold. Across diverse protein families, LineageFlow achieves family validity close to held-out natural sequences and improves predicted structural confidence over uniform-/mask-initialized baselines while maintaining substantial novelty and diversity. Finally, we introduce \emph{rerouting}, a single intermediate-time mutate--select--amplify intervention that enables objective-guided sampling without per-step predictor guidance and yields further gains in plausibility, including a zero-shot enzyme generation case study. Code is available at https://github.com/Jinx-byebye/LineageFlow.

Keywords

Cite

@article{arxiv.2605.22252,
  title  = {LineageFlow: Flow Matching for High-Fidelity Family-Aware Protein Sequence Generation},
  author = {Langzhang Liang and Ming Yang and Yi Feng and Junfan Li and Shirui Pan and Yinghui Xu and Tianlei Ying and Yizhen Zheng and Zenglin Xu},
  journal= {arXiv preprint arXiv:2605.22252},
  year   = {2026}
}

Comments

Accepted at ICML 2026. 23 pages, 5 figures. Code: https://github.com/Jinx-byebye/LineageFlow