arXiv:2603.04736cs.LG2026-03被引 2

让运输模型学会跨分布泛化,解决未知分布对的迁移问题。

Distribution-Conditioned Transport

  • 用分布嵌入条件化运输映射,支持未见分布对的泛化
  • 在4个生物应用中显著提升分布预测效果
  • 兼容流匹配与散度类模型,适合半监督分布建模

学习将源分布映射到目标分布的运输模型是机器学习中的经典问题,但科学应用越来越需要模型能泛化到训练时未见过的分布对。我们提出分布条件化运输(DCT)框架,通过学习源和目标分布的嵌入来条件化运输映射,实现对未见分布对的泛化。DCT还支持分布预测任务的半监督学习:由于可从任意分布对中学习,它能利用仅在一个条件下观测到的分布来提升运输预测性能。DCT与底层运输机制无关,兼容从流匹配到基于分布散度的模型(如Wasserstein、MMD)。我们在合成基准和四个生物学应用中验证了DCT的实际优势:单细胞基因组学中的批次效应转移、质谱流式数据的扰动预测、造血过程中克隆转录动态学习,以及T细胞受体序列演化建模。

原文摘要 · Abstract (English)

Learning a transport model that maps a source distribution to a target distribution is a canonical problem in machine learning, but scientific applications increasingly require models that can generalize to source and target distributions unseen during training. We introduce distribution-conditioned transport (DCT), a framework that conditions transport maps on learned embeddings of source and target distributions, enabling generalization to unseen distribution pairs. DCT also allows semi-supervised learning for distributional forecasting problems: because it learns from arbitrary distribution pairs, it can leverage distributions observed at only one condition to improve transport prediction. DCT is agnostic to the underlying transport mechanism, supporting models ranging from flow matching to distributional divergence-based models (e.g. Wasserstein, MMD). We demonstrate the practical performance benefits of DCT on synthetic benchmarks and four applications in biology: batch effect transfer in single-cell genomics, perturbation prediction from mass cytometry data, learning clonal transcriptional dynamics in hematopoiesis, and modeling T-cell receptor sequence evolution.

分布迁移泛化能力生物建模半监督

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