Distance-Matrix Wasserstein Statistics for Scalable Gromov--Wasserstein Learning

The Gromov-Wasserstein (GW) problem provides a framework for aligning heterogeneous datasets by matching their intrinsic geometry, but its statistical and computational scaling remains an issue for high-dimensional problems. Slicing techniques offer an appealing route to scalability, but, unlike Wasserstein distances, GW problems do not generally admit closed-form solutions in one-dimension. We resolve this problem for the GW problem with inner product cost (IGW), propose a sliced IGW distance that enjoys a natural rotational invariance property, and comprehensively study its structural and computational properties. Numerical experiments validating our theory are presented, followed by applications to heterogeneous clustering of text data and language model representation comparison.

We introduce the observable Wasserstein distance, a framework for deriving lower bounds on the Wasserstein distance between probability measures on Polish metric spaces, designed to bypass the computational intractability of exact optimal transport in large-scale, non-Euclidean datasets. Analogous to the sliced Wasserstein distance in $\mathbb{R}^d$, our approach projects measures onto the real line via 1-Lipschitz observables and computes the Wasserstein distances between the resulting pushforward distributions. We define a hierarchy of pseudo-metrics by restricting observables to a nested chain of subspaces. A central theoretical contribution is an injectivity result linking the metric covering dimension of the support of a measure to the specific order in the hierarchy that guarantees unique recovery. This serves as a metric-space analogue to the Cramér-Wold Device for Euclidean distributions. We demonstrate that this hierarchy offers a tunable trade-off between sharpness as a lower bound on the Wasserstein distance and computational efficiency. We also present a discrete computational model for finite grids and numerical experiments validating the efficacy and utility of these approximations.

The Gromov--Wasserstein (GW) distance provides a framework for comparing metric measure spaces, regardless of their underlying structure or geometry. For network-based data, it enables direct comparisons of graphs with different numbers of nodes, without requiring an embedding or other abstraction. Furthermore, through a variant of GW known as fused Gromov--Wasserstein (fGW), it is also possible to incorporate node features in addition to graph structure. In this work, we implement $k$-nearest neighbors ($k$-NN) classification using the GW and fGW distances. We prove the universal consistency of the GW-$k$-NN classifier on the space of equivalence classes of metric measure spaces with finite support and uniform probability measure. By viewing graphs as finitely supported metric measure spaces equipped with the pairwise distance metric and a uniform probability measure on the nodes, we obtain universal consistency of GW-$k$-NN for the space of graphs. Likewise for fGW-$k$-NN, we prove universal consistency on the space of weak isomorphism classes of structured objects consisting of metric measure spaces with finite support and uniform probability measure and feature maps into Euclidean space, thus establishing universal consistency on the space of node-attributed graphs. Our numerical experiments show that GW-$k$-NN and fGW-$k$-NN consistently perform well across multiple graph datasets, suggesting that metric classifiers such as $k$-NN work well in the GW framework.