将薛定谔桥拓展到拓扑域,实现网络信号分布的精准匹配。
Topological Schrödinger Bridge Matching
- 基于拓扑热扩散构建拓扑感知随机动力学作为参考过程。
- 对高斯边界分布推导出闭式解,给出时变边缘分布与SDE形式。
- 用拓扑神经网络参数化最优过程,适合图、单纯复形等拓扑数据建模。
给定两个边界分布,薛定谔桥(SB)问题旨在寻找相对于参考过程最可能的随机演化路径。该问题已揭示与生成建模和分布匹配等机器学习方法的深刻联系。尽管这些方法在欧氏空间表现良好,却难以直接应用于图与单纯复形等拓扑域,而后者对节点信号、边流等网络实体数据至关重要。本文提出拓扑薛定谔桥问题(TSBP),用于匹配拓扑域上的信号分布。将参考过程设定为可解析的拓扑感知随机动力学,如拓扑热扩散。对于高斯边界分布,我们推导出闭式拓扑薛定谔桥(TSB),其形式包含时间边缘分布与随机微分方程。在一般情形下,基于经典结果,证明最优过程遵循前向-后向拓扑动力学,由未知量决定。在此基础上,我们开发基于TSB的模型,通过拓扑神经网络参数化这些未知量,并采用似然训练进行学习。验证了理论结果,并在合成与真实网络数据上展示了模型的有效性,凸显了拓扑结构的关键作用。此外,讨论了所提模型与其他新兴模型的关联,并展望了拓扑信号匹配的未来方向。
原文摘要 · Abstract (English)
Given two boundary distributions, the Schrödinger Bridge (SB) problem seeks the ``most likely`` random evolution between them with respect to a reference process. It has revealed rich connections to recent machine learning methods for generative modeling and distribution matching. While these methods perform well in Euclidean domains, they are not directly applicable to topological domains such as graphs and simplicial complexes, which are crucial for data defined over network entities, such as node signals and edge flows. In this work, we propose the Topological Schrödinger Bridge problem (TSBP) for matching signal distributions on a topological domain. We set the reference process to follow some linear tractable topology-aware stochastic dynamics such as topological heat diffusion. For the case of Gaussian boundary distributions, we derive a closed-form topological SB (TSB) in terms of its time-marginal and stochastic differential. In the general case, leveraging the well-known result, we show that the optimal process follows the forward-backward topological dynamics governed by some unknowns. Building on these results, we develop TSB-based models for matching topological signals by parameterizing the unknowns in the optimal process as (topological) neural networks and learning them through likelihood training. We validate the theoretical results and demonstrate the practical applications of TSB-based models on both synthetic and real-world networks, emphasizing the role of topology. Additionally, we discuss the connections of TSB-based models to other emerging models, and outline future directions for topological signal matching.
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