提出新型图上概率测度比较方法,计算更快且支持更多几何结构。
Generalized Sobolev IPM for Graph-Based Measures
- 用Orlicz几何结构替代传统Lp结构,提升对复杂图数据的适应性。
- 新方法在图上可化为一元优化,计算效率比经典方法快数个量级。
- 适合处理文档分类与拓扑数据分析中的图结构概率比较任务。
我们研究定义在图度量空间上的Sobolev IPM问题,其中判别器函数受Sobolev范数单位球约束。尽管Le等人(2025)通过将Sobolev范数关联到加权L^p-范数实现了可扩展计算,但其框架仍受限于L^p几何结构,难以融入其他几何先验。为此,我们从 extit{Orlicz几何结构}出发推广Sobolev IPM,利用凸函数刻画细微几何关系,基于最优传输理论中最近发展的Orlicz-Wasserstein(OW)和广义Sobolev传输等成果。该推广包含经典Sobolev IPM作为特例,并能容纳多种超越传统L^p结构的几何先验。然而,这带来了更严峻的计算挑战。我们建立了Orlicz-Sobolev范数与Musielak范数之间的新理论联系,提出一种新型正则化用于广义Sobolev IPM(GSI)。进一步利用图结构特性,证明带Musielak正则化的GSI(GSI-M)可降为简单的一元优化问题,实现显著计算效率提升。实验表明,GSI-M在计算速度上比主流的OW快多个数量级,在文档分类及若干拓扑数据分析任务中表现出实际优势。
原文摘要 · Abstract (English)
We study the Sobolev IPM problem for measures supported on a graph metric space, where critic function is constrained to lie within the unit ball defined by Sobolev norm. While Le et al. (2025) achieved scalable computation by relating Sobolev norm to weighted $L^p$-norm, the resulting framework remains intrinsically bound to $L^p$ geometric structure, limiting its ability to incorporate alternative structural priors beyond the $L^p$ geometry paradigm. To overcome this limitation, we propose to generalize Sobolev IPM through the lens of \emph{Orlicz geometric structure}, which employs convex functions to capture nuanced geometric relationships, building upon recent advances in optimal transport theory -- particularly Orlicz-Wasserstein (OW) and generalized Sobolev transport -- that have proven instrumental in advancing machine learning methodologies. This generalization encompasses classical Sobolev IPM as a special case while accommodating diverse geometric priors beyond traditional $L^p$ structure. It however brings up significant computational hurdles that compound those already inherent in Sobolev IPM. To address these challenges, we establish a novel theoretical connection between Orlicz-Sobolev norm and Musielak norm which facilitates a novel regularization for the generalized Sobolev IPM (GSI). By further exploiting the underlying graph structure, we show that GSI with Musielak regularization (GSI-M) reduces to a simple \emph{univariate optimization} problem, achieving remarkably computational efficiency. Empirically, GSI-M is several-order faster than the popular OW in computation, and demonstrates its practical advantages in comparing probability measures on a given graph for document classification and several tasks in topological data analysis.
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