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The Gromov-Wasserstein (GW) distance enables comparing metric measure spaces based solely on their internal structure, making it invariant to isomorphic transformations. This property is particularly useful for comparing datasets that…

Statistics Theory · Mathematics 2024-10-24 Gabriel Rioux , Ziv Goldfeld , Kengo Kato

Optimal Transport has received much attention in Machine Learning as it allows to compare probability distributions by exploiting the geometry of the underlying space. However, in its original formulation, solving this problem suffers from…

Machine Learning · Computer Science 2023-11-27 Clément Bonet

Many existing transductive bounds rely on classical complexity measures that are computationally intractable and often misaligned with empirical behavior. In this work, we establish new representation-based generalization bounds in a…

Machine Learning · Computer Science 2026-03-11 MoonJeong Park , Seungbeom Lee , Kyungmin Kim , Jaeseung Heo , Seunghyuk Cho , Shouheng Li , Sangdon Park , Dongwoo Kim

(Directed) graphs with node attributes are a common type of data in various applications and there is a vast literature on developing metrics and efficient algorithms for comparing them. Recently, in the graph learning and optimization…

Machine Learning · Computer Science 2024-02-20 Tristan Brugère , Zhengchao Wan , Yusu Wang

The Gromov-Wasserstein (GW) distance, rooted in optimal transport (OT) theory, quantifies dissimilarity between metric measure spaces and provides a framework for aligning heterogeneous datasets. While computational aspects of the GW…

Statistics Theory · Mathematics 2023-10-02 Zhengxin Zhang , Ziv Goldfeld , Youssef Mroueh , Bharath K. Sriperumbudur

We discuss the relation between the Wasserstein distance of order 1 between probability distributions on a metric space, arising in the study of Monge-Kantorovich transport problem, and the spectral distance of noncommutative geometry.…

Operator Algebras · Mathematics 2015-03-13 Francesco D'Andrea , Pierre Martinetti

Given a graph pair $(G^1, G^2)$, graph edit distance (GED) is defined as the minimum number of edit operations converting $G^1$ to $G^2$. GED is a fundamental operation widely used in many applications, but its exact computation is NP-hard,…

Machine Learning · Computer Science 2024-12-30 Qihao Cheng , Da Yan , Tianhao Wu , Zhongyi Huang , Qin Zhang

When learning graph neural networks (GNNs) in node-level prediction tasks, most existing loss functions are applied for each node independently, even if node embeddings and their labels are non-i.i.d. because of their graph structures. To…

Machine Learning · Computer Science 2024-03-14 Minjie Cheng , Hongteng Xu

Wasserstein distance (WD) and the associated optimal transport plan have been proven useful in many applications where probability measures are at stake. In this paper, we propose a new proxy of the squared WD, coined min-SWGG, that is…

Machine Learning · Statistics 2023-10-31 Guillaume Mahey , Laetitia Chapel , Gilles Gasso , Clément Bonet , Nicolas Courty

We introduce a novel optimal transport framework for probabilistic circuits (PCs). While it has been shown recently that divergences between distributions represented as certain classes of PCs can be computed tractably, to the best of our…

Artificial Intelligence · Computer Science 2025-10-16 Adrian Ciotinga , YooJung Choi

We propose a novel approach for comparing distributions whose supports do not necessarily lie on the same metric space. Unlike Gromov-Wasserstein (GW) distance which compares pairwise distances of elements from each distribution, we…

Machine Learning · Statistics 2021-04-23 Mokhtar Z. Alaya , Maxime Bérar , Gilles Gasso , Alain Rakotomamonjy

We tackle the data-driven chance-constrained density steering problem using the Gromov-Wasserstein metric. The underlying dynamical system is an unknown linear controlled recursion, with the assumption that sufficiently rich input-output…

Optimization and Control · Mathematics 2025-08-11 Haruto Nakashima , Siddhartha Ganguly , Kenji Kashima

We define a distance metric between partitions of a graph using machinery from optimal transport. Our metric is built from a linear assignment problem that matches partition components, with assignment cost proportional to transport…

Optimization and Control · Mathematics 2019-10-23 Tara Abrishami , Nestor Guillen , Parker Rule , Zachary Schutzman , Justin Solomon , Thomas Weighill , Si Wu

Gromov-Wasserstein (GW) distance is a powerful tool for comparing and aligning probability distributions supported on different metric spaces. Recently, GW has become the main modeling technique for aligning heterogeneous data for a wide…

Machine Learning · Computer Science 2023-10-31 Lemin Kong , Jiajin Li , Jianheng Tang , Anthony Man-Cho So

Current graph neural network (GNN) architectures naively average or sum node embeddings into an aggregated graph representation -- potentially losing structural or semantic information. We here introduce OT-GNN, a model that computes graph…

Machine Learning · Statistics 2021-10-12 Benson Chen , Gary Bécigneul , Octavian-Eugen Ganea , Regina Barzilay , Tommi Jaakkola

Contrastive learning has shown great promise in the field of graph representation learning. By manually constructing positive/negative samples, most graph contrastive learning methods rely on the vector inner product based similarity metric…

Machine Learning · Computer Science 2022-07-27 Yuehui Han , Le Hui , Haobo Jiang , Jianjun Qian , Jin Xie

Gromov-Wasserstein distances are generalization of Wasserstein distances, which are invariant under distance preserving transformations. Although a simplified version of optimal transport in Wasserstein spaces, called linear optimal…

Numerical Analysis · Mathematics 2022-12-07 Florian Beier , Robert Beinert , Gabriele Steidl

We introduce an optimal transport based approach for comparing undirected graphs with non-negative edge weights and general vertex labels, and we study connections between the resulting linear program and the graph isomorphism problem. Our…

Combinatorics · Mathematics 2025-11-20 Phuong N. Hoàng , Kevin McGoff , Andrew B. Nobel , Yang Xiang , Bongsoo Yi

Comparing structured data from possibly different metric-measure spaces is a fundamental task in machine learning, with applications in, e.g., graph classification. The Gromov-Wasserstein (GW) discrepancy formulates a coupling between the…

Machine Learning · Computer Science 2022-07-12 Hongwei Jin , Zishun Yu , Xinhua Zhang

Computing optimal transport maps between high-dimensional and continuous distributions is a challenging problem in optimal transport (OT). Generative adversarial networks (GANs) are powerful generative models which have been successfully…

Machine Learning · Computer Science 2019-06-25 Jacob Leygonie , Jennifer She , Amjad Almahairi , Sai Rajeswar , Aaron Courville