arXiv:2601.06810cs.LGcs.AI2026-01被引 6

无需模拟即可学习质量不均衡的动态演化轨迹

WFR-FM: Simulation-Free Dynamic Unbalanced Optimal Transport

  • 联合回归位移向量场与质量增减率,构建连续演化流
  • 在单细胞数据中准确重建增殖与凋亡过程,时间变化生长场估计更精确
  • 适合研究生物发育、肿瘤演化等质量动态变化的系统

Wasserstein-Fisher-Rao(WFR)度量通过耦合位移与质量变化,为不平衡快照动态建模提供了严谨几何结构。现有WFR求解器通常不稳定、计算成本高且难以扩展。本文提出无需模拟的WFR流匹配(WFR-FM)算法,将流匹配与动态不平衡最优传输统一。不同于传统仅回归位移向量场的流匹配,WFR-FM同时拟合位移向量场与质量增长速率函数,在WFR几何下生成连续流。理论上,最小化WFR-FM损失可精确恢复WFR测地线。实验上,该方法在单细胞生物学中实现更精准鲁棒的轨迹推断,能一致重构增殖与凋亡动态,估计时变生长场,并应用于不平衡数据下的生成动力学。相比最先进基线,其在效率、稳定性与重建精度上均有提升。总体而言,WFR-FM建立了一种统一高效的框架,用于从不平衡快照中学习动态系统,其中状态与质量均随时间演化。代码已开源:https://github.com/QiangweiPeng/WFR-FM。

原文摘要 · Abstract (English)

The Wasserstein-Fisher-Rao (WFR) metric extends dynamic optimal transport (OT) by coupling displacement with change of mass, providing a principled geometry for modeling unbalanced snapshot dynamics. Existing WFR solvers, however, are often unstable, computationally expensive, and difficult to scale. Here we introduce WFR Flow Matching (WFR-FM), a simulation-free training algorithm that unifies flow matching with dynamic unbalanced OT. Unlike classical flow matching which regresses only a transport vector field, WFR-FM simultaneously regresses a vector field for displacement and a scalar growth rate function for birth-death dynamics, yielding continuous flows under the WFR geometry. Theoretically, we show that minimizing the WFR-FM loss exactly recovers WFR geodesics. Empirically, WFR-FM yields more accurate and robust trajectory inference in single-cell biology, reconstructing consistent dynamics with proliferation and apoptosis, estimating time-varying growth fields, and applying to generative dynamics under imbalanced data. It outperforms state-of-the-art baselines in efficiency, stability, and reconstruction accuracy. Overall, WFR-FM establishes a unified and efficient paradigm for learning dynamical systems from unbalanced snapshots, where not only states but also mass evolve over time. The Python code is available at https://github.com/QiangweiPeng/WFR-FM.

动态系统最优传输单细胞分析生成模型

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