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Related papers: Weisfeiler-Lehman meets Gromov-Wasserstein

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Graph similarity metrics serve far-ranging purposes across many domains in data science. As graph datasets grow in size, scientists need comparative tools that capture meaningful differences, yet are lightweight and scalable. Graph Relative…

Combinatorics · Mathematics 2019-08-08 Sinan G. Aksoy , Kathleen E. Nowak , Stephen J. Young

Graph Edit Distance (GED) is a widely used metric for measuring similarity between two graphs. Computing the optimal GED is NP-hard, leading to the development of various neural and non-neural heuristics. While neural methods have achieved…

Machine Learning · Computer Science 2025-05-06 Samidha Verma , Arushi Goyal , Ananya Mathur , Ankit Anand , Sayan Ranu

Graph neural networks have been widely used on modeling graph data, achieving impressive results on node classification and link prediction tasks. Yet, obtaining an accurate representation for a graph further requires a pooling function…

Machine Learning · Computer Science 2021-06-29 Jinheon Baek , Minki Kang , Sung Ju Hwang

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

A hypergraph consists of a set of nodes along with a collection of subsets of the nodes called hyperedges. Higher-order link prediction is the task of predicting the existence of a missing hyperedge in a hypergraph. A hyperedge…

Machine Learning · Computer Science 2024-12-04 Simon Zhang , Cheng Xin , Tamal K. Dey

We propose a novel and principled method to learn a nonparametric graph model called graphon, which is defined in an infinite-dimensional space and represents arbitrary-size graphs. Based on the weak regularity lemma from the theory of…

Machine Learning · Computer Science 2020-12-18 Hongteng Xu , Dixin Luo , Lawrence Carin , Hongyuan Zha

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

It is confirmed in this work that the graph isomorphism can be tested in polynomial time, which resolves a longstanding problem in the theory of computation. The contributions are in three phases as follows. 1. A description graph…

Computational Complexity · Computer Science 2023-01-25 Rui Xue

Gromov-Wasserstein (GW) is a powerful tool to compare probability measures whose supports are in different metric spaces. GW suffers however from a computational drawback since it requires to solve a complex non-convex quadratic program. We…

Machine Learning · Statistics 2020-06-18 Tam Le , Nhat Ho , Makoto Yamada

In this paper, we present a 2-local proof labeling scheme with labels in $\{ 0,1,2\}$ for leader election in anonymous meshed graphs. Meshed graphs form a general class of graphs defined by a distance condition. They comprise several…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-16 Jérémie Chalopin , Victor Chepoi , Maria Kokkou

Graph neural networks (GNNs) are deep learning architectures for machine learning problems on graphs. It has recently been shown that the expressiveness of GNNs can be characterised precisely by the combinatorial Weisfeiler-Leman algorithms…

Machine Learning · Computer Science 2022-01-11 Martin Grohe

We propose a Graph Neural Network with greater expressive power than commonly used GNNs - not constrained to only differentiate between graphs that Weisfeiler-Lehman test recognizes to be non-isomorphic. We use a graph attention network…

Machine Learning · Computer Science 2020-04-14 Stanisław Purgał

Graphs are versatile tools for representing structured data. As a result, a variety of machine learning methods have been studied for graph data analysis. Although many such learning methods depend on the measurement of differences between…

Machine Learning · Statistics 2021-06-18 Tomoki Yoshida , Ichiro Takeuchi , Masayuki Karasuyama

There is no known polynomial-time algorithm for graph isomorphism testing, but elementary combinatorial "refinement" algorithms seem to be very efficient in practice. Some philosophical justification is provided by a classical theorem of…

Combinatorics · Mathematics 2025-10-17 Michael Anastos , Matthew Kwan , Benjamin Moore

Due to the ever rising importance of the network paradigm across several areas of science, comparing and classifying graphs represent essential steps in the networks analysis of complex systems. Both tasks have been recently tackled via…

Graph kernels are conventional methods for computing graph similarities. However, the existing R-convolution graph kernels cannot resolve both of the two challenges: 1) Comparing graphs at multiple different scales, and 2) Considering the…

Machine Learning · Computer Science 2024-05-14 Wei Ye , Hao Tian , Qijun Chen

Graph neural network architectures aligned with the $k$-dimensional Weisfeiler--Leman ($k$-WL) hierarchy offer theoretically well-understood expressive power. However, these architectures often fail to deliver state-of-the-art predictive…

Machine Learning · Computer Science 2024-06-06 Luis Müller , Christopher Morris

The message-passing scheme is the core of graph representation learning. While most existing message-passing graph neural networks (MPNNs) are permutation-invariant in graph-level representation learning and permutation-equivariant in node-…

Machine Learning · Computer Science 2022-11-22 Chang Liu , Yuwen Yang , Yue Ding , Hongtao Lu

Comparing metric measure spaces (i.e. a metric space endowed with aprobability distribution) is at the heart of many machine learning problems. The most popular distance between such metric measure spaces is theGromov-Wasserstein (GW)…

Optimization and Control · Mathematics 2023-01-18 Thibault Séjourné , François-Xavier Vialard , Gabriel Peyré

Designing expressive Graph Neural Networks (GNNs) is a fundamental topic in the graph learning community. So far, GNN expressiveness has been primarily assessed via the Weisfeiler-Lehman (WL) hierarchy. However, such an expressivity measure…

Machine Learning · Computer Science 2024-01-17 Bohang Zhang , Jingchu Gai , Yiheng Du , Qiwei Ye , Di He , Liwei Wang
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