We investigate optimal transport (OT) for measures on graph metric spaces with different total masses. To mitigate the limitations of traditional $L^p$ geometry, Orlicz-Wasserstein (OW) and generalized Sobolev transport (GST) employ Orlicz geometric structure, leveraging convex functions to capture nuanced geometric relationships and remarkably contribute to advance certain machine learning approaches. However, both OW and GST are restricted to measures with equal total mass, limiting their applicability to real-world scenarios where mass variation is common, and input measures may have noisy supports, or outliers. To address unbalanced measures, OW can either incorporate mass constraints or marginal discrepancy penalization, but this leads to a more complex two-level optimization problem. Additionally, GST provides a scalable yet rigid framework, which poses significant challenges to extend GST to accommodate nonnegative measures. To tackle these challenges, in this work we revisit the entropy partial transport (EPT) problem. By exploiting Caffarelli & McCann (2010)'s insights, we develop a novel variant of EPT endowed with Orlicz geometric structure, called Orlicz-EPT. We establish theoretical background to solve Orlicz-EPT using a binary search algorithmic approach. Especially, by leveraging the dual EPT and the underlying graph structure, we formulate a novel regularization approach that leads to the proposed Orlicz-Sobolev transport (OST). Notably, we demonstrate that OST can be efficiently computed by simply solving a univariate optimization problem, in stark contrast to the intensive computation needed for Orlicz-EPT. Building on this, we derive geometric structures for OST and draw its connections to other transport distances. We empirically illustrate that OST is several-order faster than Orlicz-EPT.
翻译:本文研究了在图度量空间上具有不同总质量的测度之间的最优传输问题。为克服传统$L^p$几何结构的局限性,Orlicz-Wasserstein距离与广义Sobolev传输通过引入Orlicz几何结构,利用凸函数捕捉细微的几何关系,显著推动了特定机器学习方法的发展。然而,这两种方法均局限于总质量相等的测度,限制了其在质量变化普遍、输入测度可能包含噪声支撑或异常值的实际场景中的应用。针对非均衡测度问题,Orlicz-Wasserstein距离可通过引入质量约束或边缘差异惩罚进行处理,但这会导致更复杂的双层优化问题。此外,广义Sobolev传输虽提供了可扩展的框架,但其结构较为刚性,难以扩展至非负测度情形。为应对这些挑战,本研究重新审视了熵偏传输问题。基于Caffarelli & McCann (2010)的理论洞见,我们提出了一种具有Orlicz几何结构的新型熵偏传输变体——Orlicz-EPT。我们建立了通过二分搜索算法求解Orlicz-EPT的理论基础。特别地,通过结合对偶熵偏传输与底层图结构,我们构建了一种新颖的正则化方法,从而提出了Orlicz-Sobolev传输。值得注意的是,我们证明OST仅需通过求解单变量优化问题即可高效计算,这与Orlicz-EPT所需的密集计算形成鲜明对比。在此基础上,我们推导了OST的几何结构,并建立了其与其他传输距离的理论联系。实验结果表明,OST的计算速度比Orlicz-EPT快数个数量级。