提出可高效计算的图上概率分布距离度量方法
Scalable Sobolev IPM for Probability Measures on a Graph
- 通过图结构设计新正则化,将原问题转化为闭式解
- 首次实现图上Sobolev IPM的快速计算,支持大规模应用
- 方法具负定性,可构建优良核函数,适合文档与拓扑分析
本文研究定义在图度量空间上的概率测度的Sobolev IPM问题。Sobolev IPM是积分概率度量的重要实例,通过约束判别函数在Sobolev范数单位球内获得,广泛用于比较概率测度并在机器学习理论中具有关键作用。然而,目前尚无高效算法能有效计算该度量,制约其实际应用。本文建立Sobolev范数与加权$L^p$-范数之间的关系,提出一种新型正则化策略,并利用图结构特性,使正则化后的Sobolev IPM具备闭式表达,实现快速计算。这一突破解决了长期存在的计算难题,为大尺度场景下的应用铺平道路。此外,该正则化度量具有负定性,基于此我们构造了正定核函数,初步验证其在文档分类和拓扑数据分析中比较图上概率测度的优势。
原文摘要 · Abstract (English)
We investigate the Sobolev IPM problem for probability measures supported on a graph metric space. Sobolev IPM is an important instance of integral probability metrics (IPM), and is obtained by constraining a critic function within a unit ball defined by the Sobolev norm. In particular, it has been used to compare probability measures and is crucial for several theoretical works in machine learning. However, to our knowledge, there are no efficient algorithmic approaches to compute Sobolev IPM effectively, which hinders its practical applications. In this work, we establish a relation between Sobolev norm and weighted $L^p$-norm, and leverage it to propose a \emph{novel regularization} for Sobolev IPM. By exploiting the graph structure, we demonstrate that the regularized Sobolev IPM provides a \emph{closed-form} expression for fast computation. This advancement addresses long-standing computational challenges, and paves the way to apply Sobolev IPM for practical applications, even in large-scale settings. Additionally, the regularized Sobolev IPM is negative definite. Utilizing this property, we design positive-definite kernels upon the regularized Sobolev IPM, and provide preliminary evidences of their advantages for comparing probability measures on a given graph for document classification and topological data analysis.
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