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This work considers the problem of computing distances between structured objects such as undirected graphs, seen as probability distributions in a specific metric space. We consider a new transportation distance (i.e. that minimizes a…

Machine Learning · Statistics 2019-05-14 Titouan Vayer , Laetitia Chapel , Rémi Flamary , Romain Tavenard , Nicolas Courty

Current Graph Neural Networks (GNN) architectures generally rely on two important components: node features embedding through message passing, and aggregation with a specialized form of pooling. The structural (or topological) information…

Machine Learning · Computer Science 2022-06-01 Cédric Vincent-Cuaz , Rémi Flamary , Marco Corneli , Titouan Vayer , Nicolas Courty

Attributed graph clustering is challenging as it requires joint modelling of graph structures and node attributes. Recent progress on graph convolutional networks has proved that graph convolution is effective in combining structural and…

Machine Learning · Computer Science 2019-06-05 Xiaotong Zhang , Han Liu , Qimai Li , Xiao-Ming Wu

We present a framework for embedding graph structured data into a vector space, taking into account node features and topology of a graph into the optimal transport (OT) problem. Then we propose a novel distance between two graphs, named…

Machine Learning · Computer Science 2023-07-04 Dai Hai Nguyen , Koji Tsuda

Graph data augmentation has shown superiority in enhancing generalizability and robustness of GNNs in graph-level classifications. However, existing methods primarily focus on the augmentation in the graph signal space and the graph…

Machine Learning · Computer Science 2023-10-05 Xinyu Ma , Xu Chu , Yasha Wang , Yang Lin , Junfeng Zhao , Liantao Ma , Wenwu Zhu

In this work, we propose a novel approach for subgraph matching, the problem of finding a given query graph in a large source graph, based on the fused Gromov-Wasserstein distance. We formulate the subgraph matching problem as a partial…

Information Theory · Computer Science 2024-07-01 Wen-Xin Pan , Isabel Haasler , Pascal Frossard

Graph clustering is an unsupervised machine learning method that partitions the nodes in a graph into different groups. Despite achieving significant progress in exploiting both attributed and structured data information, graph clustering…

Machine Learning · Computer Science 2025-01-03 Rui Zhang , Xiaoyang Hou , Zhihua Tian , Yan he , Enchao Gong , Jian Liu , Qingbiao Wu , Kui Ren

Optimal Transport is a theory that allows to define geometrical notions of distance between probability distributions and to find correspondences, relationships, between sets of points. Many machine learning applications are derived from…

Machine Learning · Statistics 2020-11-10 Titouan Vayer

Pairwise comparison of graphs is key to many applications in Machine learning ranging from clustering, kernel-based classification/regression and more recently supervised graph prediction. Distances between graphs usually rely on…

Machine Learning · Statistics 2023-09-29 Junjie Yang , Matthieu Labeau , Florence d'Alché-Buc

Even though clustering trajectory data attracted considerable attention in the last few years, most of prior work assumed that moving objects can move freely in an euclidean space and did not consider the eventual presence of an underlying…

Machine Learning · Computer Science 2012-10-04 Mohamed Khalil El Mahrsi , Fabrice Rossi

Structured data, such as graphs, is vital in machine learning due to its capacity to capture complex relationships and interactions. In recent years, the Fused Gromov-Wasserstein (FGW) distance has attracted growing interest because it…

Machine Learning · Computer Science 2025-09-29 Yikun Bai , Shuang Wang , Huy Tran , Hengrong Du , Juexin Wang , Soheil Kolouri

Clustering trajectory data attracted considerable attention in the last few years. Most of prior work assumed that moving objects can move freely in an euclidean space and did not consider the eventual presence of an underlying road network…

Machine Learning · Computer Science 2013-10-22 Mohamed Khalil El Mahrsi , Fabrice Rossi

Distance measures between graphs are important primitives for a variety of learning tasks. In this work, we describe an unsupervised, optimal transport based approach to define a distance between graphs. Our idea is to derive…

Computational Engineering, Finance, and Science · Computer Science 2024-04-11 Michael Scholkemper , Damin Kühn , Gerion Nabbefeld , Simon Musall , Björn Kampa , Michael T. Schaub

We propose a scalable Gromov-Wasserstein learning (S-GWL) method and establish a novel and theoretically-supported paradigm for large-scale graph analysis. The proposed method is based on the fact that Gromov-Wasserstein discrepancy is a…

Machine Learning · Computer Science 2019-10-10 Hongteng Xu , Dixin Luo , Lawrence Carin

Comparing graphs by means of optimal transport has recently gained significant attention, as the distances induced by optimal transport provide both a principled metric between graphs as well as an interpretable description of the…

Machine Learning · Computer Science 2024-03-26 James S. Nagai , Ivan G. Costa , Michael T. Schaub

A novel Gromov-Wasserstein learning framework is proposed to jointly match (align) graphs and learn embedding vectors for the associated graph nodes. Using Gromov-Wasserstein discrepancy, we measure the dissimilarity between two graphs and…

Machine Learning · Computer Science 2019-05-08 Hongteng Xu , Dixin Luo , Hongyuan Zha , Lawrence Carin

We establish a bridge between spectral clustering and Gromov-Wasserstein Learning (GWL), a recent optimal transport-based approach to graph partitioning. This connection both explains and improves upon the state-of-the-art performance of…

Machine Learning · Computer Science 2021-03-04 Samir Chowdhury , Tom Needham

The assignment problem, a cornerstone of operations research, seeks an optimal one-to-one mapping between agents and tasks to minimize total cost. This work traces its evolution from classical formulations and algorithms to modern optimal…

Optimization and Control · Mathematics 2025-09-05 Iman Seyedi , Antonio Candelieri , Enza Messina , Francesco Archetti

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

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
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