首篇综述流形匹配在生物领域的应用,涵盖分子与蛋白质生成。
Flow Matching Meets Biology and Life Science: A Survey
- 系统梳理流形匹配的原理与变体方法
- 覆盖生物序列、分子设计、肽蛋白生成三大方向
- 适合关注生成模型在生命科学中落地的研究者
过去十年,生成模型如生成对抗网络、掩码自编码器和扩散模型显著推动了生物学研究与发现,实现了分子设计、蛋白质生成、催化发现、药物研发等突破。同时,生物应用也成为评估生成模型能力的重要测试平台。近年来,流形匹配作为高效替代扩散模型的新方法,受到广泛关注,并在生物与生命科学领域逐步展开应用。本文首次系统综述流形匹配在生物学中的最新进展,从基础原理与变体出发,将其应用分为三类:生物序列建模、分子生成与设计、肽及蛋白质生成,并对各领域近期成果进行深入分析。此外,总结常用数据集与软件工具,并探讨未来发展方向。相关资源已整理至 https://github.com/Violet24K/Awesome-Flow-Matching-Meets-Biology。
原文摘要 · Abstract (English)
Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological research and discovery, enabling breakthroughs in molecule design, protein generation, catalysis discovery, drug discovery, and beyond. At the same time, biological applications have served as valuable testbeds for evaluating the capabilities of generative models. Recently, flow matching has emerged as a powerful and efficient alternative to diffusion-based generative modeling, with growing interest in its application to problems in biology and life sciences. This paper presents the first comprehensive survey of recent developments in flow matching and its applications in biological domains. We begin by systematically reviewing the foundations and variants of flow matching, and then categorize its applications into three major areas: biological sequence modeling, molecule generation and design, and peptide and protein generation. For each, we provide an in-depth review of recent progress. We also summarize commonly used datasets and software tools, and conclude with a discussion of potential future directions. The corresponding curated resources are available at https://github.com/Violet24K/Awesome-Flow-Matching-Meets-Biology.
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