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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

Bayesian nonparametric mixtures and random partition models are powerful tools for probabilistic clustering. However, standard independent mixture models can be restrictive in some applications such as inference on cell lineage due to the…

Methodology · Statistics 2025-07-15 Giovanni Rebaudo , Peter Mueller

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 node clustering is a fundamental unsupervised task. Existing methods typically train an encoder through selfsupervised learning and then apply K-means to the encoder output. Some methods use this clustering result directly as the…

Machine Learning · Computer Science 2025-02-17 Bowen Deng , Tong Wang , Lele Fu , Sheng Huang , Chuan Chen , Tao Zhang

Graphon is a nonparametric model that generates graphs with arbitrary sizes and can be induced from graphs easily. Based on this model, we propose a novel algorithmic framework called \textit{graphon autoencoder} to build an interpretable…

Machine Learning · Computer Science 2021-06-01 Hongteng Xu , Peilin Zhao , Junzhou Huang , Dixin Luo

Supervised graph prediction addresses regression problems where the outputs are structured graphs. Although several approaches exist for graph-valued prediction, principled uncertainty quantification remains limited. We propose a conformal…

Machine Learning · Statistics 2026-03-30 Gabriel Melo , Thibaut de Saivre , Anna Calissano , Florence d'Alché-Buc

Dictionary learning is a key tool for representation learning, that explains the data as linear combination of few basic elements. Yet, this analysis is not amenable in the context of graph learning, as graphs usually belong to different…

Machine Learning · Computer Science 2021-09-21 Cédric Vincent-Cuaz , Titouan Vayer , Rémi Flamary , Marco Corneli , Nicolas Courty

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

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

The Gromov-Wasserstein (GW) framework adapts ideas from optimal transport to allow for the comparison of probability distributions defined on different metric spaces. Scalable computation of GW distances and associated matchings on graphs…

Machine Learning · Computer Science 2021-05-05 Samir Chowdhury , David Miller , Tom Needham

The Gromov-Wasserstein (GW) transport problem is a relaxation of classic optimal transport, which seeks a transport between two measures while preserving their internal geometry. Due to meeting this theoretical underpinning, it is a…

Numerical Analysis · Mathematics 2024-03-14 Florian Beier , Robert Beinert

This paper considers the problem of estimating a matrix that encodes pairwise distances in a finite metric space (or, more generally, the edge weight matrix of a network) under the barycentric coding model (BCM) with respect to the…

Optimization and Control · Mathematics 2026-03-31 Rocío Díaz Martín , Ivan V. Medri , James M. Murphy

The Gromov-Wasserstein (GW) problem provides a powerful framework for aligning heterogeneous datasets by matching their internal structures in a way that minimizes distortion. However, GW alignment is sensitive to data contamination by…

Statistics Theory · Mathematics 2025-06-27 Xiaoyun Gong , Sloan Nietert , Ziv Goldfeld

Factorization machine (FM) is a prevalent approach to modeling pairwise (second-order) feature interactions when dealing with high-dimensional sparse data. However, on the one hand, FM fails to capture higher-order feature interactions…

Machine Learning · Computer Science 2025-02-24 Shu Wu , Zekun Li , Yunyue Su , Zeyu Cui , Xiaoyu Zhang , Liang Wang

Attributed graph clustering or community detection which learns to cluster the nodes of a graph is a challenging task in graph analysis. In this paper, we introduce a contrastive learning framework for learning clustering-friendly node…

Machine Learning · Computer Science 2022-05-12 Maedeh Ahmadi , Mehran Safayani , Abdolreza Mirzaei

A large driver of the complexity of graph learning is the interplay between structure and features. When analyzing the expressivity of graph neural networks, however, existing approaches ignore features in favor of structure, making it…

Machine Learning · Computer Science 2026-03-04 Martin Carrasco , Olga Zaghen , Kavir Sumaraj , Erik Bekkers , Bastian Rieck

Graph foundation models (GFMs) seek transferable representations across graph domains but are limited by structural heterogeneity and incompatible node feature spaces. We propose Structure-Centric Graph Foundation Models (SCGFM), which…

Machine Learning · Computer Science 2026-05-12 Xiaodong He , Haolan He , Ruiyi Fang , Ming Sun , Zhao Kang

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 study graphons as a non-parametric generalization of stochastic block models, and show how to obtain compactly represented estimators for sparse networks in this framework. Our algorithms and analysis go beyond previous work in several…

Statistics Theory · Mathematics 2016-02-25 Christian Borgs , Jennifer T. Chayes , Henry Cohn , Shirshendu Ganguly

Fused Gromov-Wasserstein (FGW) distances provide a principled framework for comparing objects by jointly aligning structure and node features. However, existing FGW formulations treat all features uniformly, which limits interpretability…

Machine Learning · Computer Science 2026-05-13 Harlin Lee , Ying Yu , Mingxin Li , Ranthony Clark