arXiv:2601.11827cs.LGcs.CV2026-01

让生成模型在未见条件下更可靠,通过动态调整起始分布实现跨域泛化。

Shortest-Path Flow Matching with Mixture-Conditioned Bases for OOD Generalization to Unseen Conditions

  • 用可学习的混合分布做条件依赖的起始分布,结合最短路径流匹配训练
  • 在单细胞转录组与高内涵药物筛选中对未见扰动仍保持良好预测性能
  • 适合需要跨条件泛化的生物医学生成建模场景

条件生成建模在分布偏移下的鲁棒泛化仍是关键挑战:现有条件流模型在训练条件上表现良好,但难以外推至未见条件。本文提出SP-FM,一种最短路径流匹配框架,通过将基分布和流场均基于条件进行建模,提升分布外(OOD)泛化能力。具体而言,SP-FM学习一个条件依赖的、灵活可学习的混合基分布,以及通过最短路径流匹配训练的条件依赖向量场。对基分布的条件化使模型能在不同条件下自适应起始分布,实现平滑插值与可靠的外推。我们提供了关于条件传输的理论分析,并证明混合条件基分布能增强分布偏移下的鲁棒性。实证表明,SP-FM在异质领域中表现有效,包括在单细胞转录组中预测未见扰动响应,以及在高内涵显微镜药物筛选中建模治疗效应。总体而言,SP-FM为改善多种领域的条件生成建模与分布外泛化提供了一种简单而有效的即插即用策略。

原文摘要 · Abstract (English)

Robust generalization under distribution shift remains a key challenge for conditional generative modeling: conditional flow-based methods often fit the training conditions well but fail to extrapolate to unseen ones. We introduce SP-FM, a shortest-path flow-matching framework that improves out-of-distribution (OOD) generalization by conditioning both the base distribution and the flow field on the condition. Specifically, SP-FM learns a condition-dependent base distribution parameterized as a flexible, learnable mixture, together with a condition-dependent vector field trained via shortest-path flow matching. Conditioning the base allows the model to adapt its starting distribution across conditions, enabling smooth interpolation and more reliable extrapolation beyond the observed training range. We provide theoretical insights into the resulting conditional transport and show how mixture-conditioned bases enhance robustness under shift. Empirically, SP-FM is effective across heterogeneous domains, including predicting responses to unseen perturbations in single-cell transcriptomics and modeling treatment effects in high-content microscopy--based drug screening. Overall, SP-FM provides a simple yet effective plug-in strategy for improving conditional generative modeling and OOD generalization across diverse domains.

生成模型分布外泛化流匹配生物信息

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