Gradient Flows and Riemannian Structure in the Gromov-Wasserstein Geometry

TL;DR

This paper develops a Riemannian geometric framework for the Gromov-Wasserstein (GW) space, enabling gradient flow analysis and global data structure preservation, with theoretical and numerical validation.

Contribution

It introduces a gradient flow scheme in the Gromov-Wasserstein geometry, extending Wasserstein gradient concepts with a global structure-preserving transformation.

Findings

Established a convergence of the implicit scheme to a generalized minimizing movement

Derived a Benamou-Brenier-like formula for IGW geometry

Validated the theory with numerical experiments on global data interpolations

Abstract

The Wasserstein space of probability measures is known for its intricate Riemannian structure, which underpins the Wasserstein geometry and enables gradient flow algorithms. However, the Wasserstein geometry may not be suitable for certain tasks or data modalities. Motivated by scenarios where the global structure of the data needs to be preserved, this work initiates the study of gradient flows and Riemannian structure in the Gromov-Wasserstein (GW) geometry, which is particularly suited for such purposes. We focus on the inner product GW (IGW) distance between distributions on $\mathbb{R}^d$. Given a functional $\mathsf{F}:\mathcal{P}_2(\mathbb{R}^d)\to\mathbb{R}$ to optimize, we present an implicit IGW minimizing movement scheme that generates a sequence of distributions $\{\rho_i\}_{i=0}^n$, which are close in IGW and aligned in the 2-Wasserstein sense. Taking the time step to zero, we prove that the discrete solution converges to an IGW generalized minimizing movement (GMM) $(\rho_t)_t$ that follows the continuity equation with a velocity field $v_t\in L^2(\rho_t;\mathbb{R}^d)$, specified by a global transformation of the Wasserstein gradient of $\mathsf{F}$. The transformation is given by a mobility operator that modifies the Wasserstein gradient to encode not only local information, but also global structure. Our gradient flow analysis leads us to identify the Riemannian structure that gives rise to the intrinsic IGW geometry, using which we establish a Benamou-Brenier-like formula for IGW. We conclude with a formal derivation, akin to the Otto calculus, of the IGW gradient as the inverse mobility acting on the Wasserstein gradient. Numerical experiments validating our theory and demonstrating the global nature of IGW interpolations are provided.