arXiv:2510.16656cs.LGq-bio.QM2025-10被引 1

无需模拟即可同时学习复杂系统的结构与动态,助力机理理解。

Simulation-free Structure Learning for Stochastic Dynamics

  • 提出无需仿真、联合学习系统结构与随机动态的StructureFlow方法
  • 在高维合成系统、生物模拟与单细胞实验数据上均实现结构与轨迹重建
  • 适合需解析因果关系的生物、物理等高维随机系统研究者

建模动态系统并揭示其潜在因果关系是自然科学多个领域核心问题。许多物理系统(如细胞生物学中的系统)具有高维性与随机性,仅能获得部分、噪声状态观测,这给建模底层动态和推断系统网络结构带来巨大挑战。现有方法通常仅针对结构学习或种群层面动态建模,难以兼顾两者。本文提出StructureFlow,一种新颖且原理严谨的无仿真方法,可同步学习物理系统的结构与随机种群动态。我们展示了该方法在干预下结构学习及条件种群动态轨迹推断中的有效性。在高维合成系统、一组生物合理模拟系统以及一个单细胞实验数据集上进行实证评估,结果表明StructureFlow不仅能学习系统结构,还能同时建模其条件种群动态——这是迈向系统行为机理理解的关键一步。

原文摘要 · Abstract (English)

Modeling dynamical systems and unraveling their underlying causal relationships is central to many domains in the natural sciences. Various physical systems, such as those arising in cell biology, are inherently high-dimensional and stochastic in nature, and admit only partial, noisy state measurements. This poses a significant challenge for addressing the problems of modeling the underlying dynamics and inferring the network structure of these systems. Existing methods are typically tailored either for structure learning or modeling dynamics at the population level, but are limited in their ability to address both problems together. In this work, we address both problems simultaneously: we present StructureFlow, a novel and principled simulation-free approach for jointly learning the structure and stochastic population dynamics of physical systems. We showcase the utility of StructureFlow for the tasks of structure learning from interventions and dynamical (trajectory) inference of conditional population dynamics. We empirically evaluate our approach on high-dimensional synthetic systems, a set of biologically plausible simulated systems, and an experimental single-cell dataset. We show that StructureFlow can learn the structure of underlying systems while simultaneously modeling their conditional population dynamics -- a key step toward the mechanistic understanding of systems behavior.

结构学习随机动力学单细胞因果推断

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