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

About

Gromov--Wasserstein (GW) distances compare graphs, shapes, and point clouds through internal distances, without requiring a common coordinate system. This invariance is powerful, but discrete GW is a nonconvex quadratic optimal transport problem and is difficult to estimate at scale. We propose \emph{Distance-Matrix Wasserstein} (DMW), a hierarchy of Wasserstein statistics comparing laws of random finite distance matrices. Rather than optimizing a global point-level alignment, DMW samples $n$ points from each space, records their pairwise distances, and transports the resulting matrix laws. We prove that DMW is a relaxation and lower bound of GW, and establish a reverse approximation inequality: the GW--DMW gap is controlled by the Wasserstein error of approximating each original measure with $n$ samples. Hence population DMW converges to GW as sampled subspaces become dense. We further give finite-sample bounds, including intrinsic-dimensional rates that depend on the data manifold rather than the ambient matrix dimension $\binom n2$. For scalable computation, we introduce sliced and multi-scale DMW; for $p=1$, the sliced multi-scale dissimilarity yields positive-definite exponential kernels. Experiments on synthetic metric spaces, scalability benchmarks, graph classification, and two-sample testing validate the theory and demonstrate an interpretable GW-style proxy for structural comparison.

Ao Xu, Tieru Wu• 2026

Related benchmarks

TaskDatasetResultRank
Graph ClassificationPROTEINS
Accuracy70.8
1383
Graph ClassificationMUTAG
Accuracy76.7
1229
Graph ClassificationNCI1
Accuracy53.8
707
Graph ClassificationENZYMES
Accuracy20.5
419
Graph ClassificationPTC-MR
Accuracy56.7
271
Graph ClassificationBZR
Accuracy78.5
179
Graph ClassificationCOX2
Accuracy78.2
175
Graph ClassificationIMDB MULTI
Accuracy39.1
168
Graph Classificationimdb-binary
Accuracy58.3
156
Graph ClassificationREDDIT BINARY
Accuracy77.9
144
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