arXiv:2510.26645cs.LG2025-10NeurIPS被引 18

提出新方法学习非梯度场动态,可捕捉周期性生物与物理系统行为。

Curly Flow Matching for Learning Non-gradient Field Dynamics

  • 通过设计带非零漂移的薛定谔桥问题,结合推断速度与数据采样点建模非梯度流
  • 在单细胞、流体与洋流数据上实现更贴近参考过程和边缘分布的轨迹重建
  • 适合研究周期性动力学、需建模非保守力系统的科研人员

从群体层面观测数据建模自然过程的传输动力学是自然科学中的普遍问题。现有方法通常依赖最小作用量原理,假设系统为梯度场动态,导致轨迹最小化两个概率测度间的能量泛函。然而,许多真实系统(如单细胞转录组中的细胞周期)具有非梯度、周期性特征,无法被当前先进方法(如流匹配与桥匹配)有效捕捉。本文提出曲流匹配(Curly Flow Matching, Curly-FM),通过构建带有非零漂移参考过程的薛定谔桥问题,利用推断速度与群体快照数据共同构造模型。我们在单细胞轨迹推断、计算流体动力学与洋流(含近似速度)任务中验证了该方法,结果表明其能学习出更符合参考过程及群体边际分布的轨迹。该方法将流匹配扩展至周期性物理系统的建模,突破了传统梯度场限制。

原文摘要 · Abstract (English)

Modeling the transport dynamics of natural processes from population-level observations is a ubiquitous problem in the natural sciences. Such models rely on key assumptions about the underlying process in order to enable faithful learning of governing dynamics that mimic the actual system behavior. The de facto assumption in current approaches relies on the principle of least action that results in gradient field dynamics and leads to trajectories minimizing an energy functional between two probability measures. However, many real-world systems, such as cell cycles in single-cell RNA, are known to exhibit non-gradient, periodic behavior, which fundamentally cannot be captured by current state-of-the-art methods such as flow and bridge matching. In this paper, we introduce Curly Flow Matching (Curly-FM), a novel approach that is capable of learning non-gradient field dynamics by designing and solving a Schrödinger bridge problem with a non-zero drift reference process -- in stark contrast to typical zero-drift reference processes -- which is constructed using inferred velocities in addition to population snapshot data. We showcase Curly-FM by solving the trajectory inference problems for single cells, computational fluid dynamics, and ocean currents with approximate velocities. We demonstrate that Curly-FM can learn trajectories that better match both the reference process and population marginals. Curly-FM expands flow matching models beyond the modeling of populations and towards the modeling of known periodic behavior in physical systems. Our code repository is accessible at: https://github.com/kpetrovicc/curly-flow-matching.git

流匹配非梯度场轨迹推断周期性系统

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