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The Weisfeiler-Leman algorithm ($1$-WL) is a well-studied heuristic for the graph isomorphism problem. Recently, the algorithm has played a prominent role in understanding the expressive power of message-passing graph neural networks…

Machine Learning · Computer Science 2024-05-29 Billy J. Franks , Christopher Morris , Ameya Velingker , Floris Geerts

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this…

Machine Learning · Computer Science 2023-06-06 Omri Puny , Derek Lim , Bobak T. Kiani , Haggai Maron , Yaron Lipman

Graph classification is an important learning task for graph-structured data. Graph neural networks (GNNs) have recently gained growing attention in graph learning and have shown significant improvements in many important graph problems.…

Machine Learning · Computer Science 2024-01-31 Tao Wen , Elynn Chen , Yuzhou Chen

The ability of graph neural networks (GNNs) to count homomorphisms has recently been proposed as a practical and fine-grained measure of their expressive power. Although several existing works have investigated the homomorphism counting…

Machine Learning · Computer Science 2024-10-07 Junru Zhou , Muhan Zhang

We study and compare different Graph Neural Network extensions that increase the expressive power of GNNs beyond the Weisfeiler-Leman test. We focus on (i) GNNs based on higher order WL methods, (ii) GNNs that preprocess small substructures…

Machine Learning · Computer Science 2022-02-01 Pál András Papp , Roger Wattenhofer

We study the design of graph filters to implement arbitrary linear transformations between graph signals. Graph filters can be represented by matrix polynomials of the graph-shift operator, which captures the structure of the graph and is…

Information Theory · Computer Science 2017-05-23 Santiago Segarra , Antonio G. Marques , Alejandro Ribeiro

Temporal Graph Learning (TGL) has become a prevalent technique across diverse real-world applications, especially in domains where data can be represented as a graph and evolves over time. Although TGL has recently seen notable progress in…

Machine Learning · Computer Science 2024-02-27 Weilin Cong , Jian Kang , Hanghang Tong , Mehrdad Mahdavi

Graph neural networks (GNNs), consisting of a cascade of layers applying a graph convolution followed by a pointwise nonlinearity, have become a powerful architecture to process signals supported on graphs. Graph convolutions (and thus,…

Machine Learning · Computer Science 2019-10-23 Fernando Gama , Joan Bruna , Alejandro Ribeiro

Based on methods of structural convergence we provide a unifying view of local-global convergence, fitting to model theory and analysis. The general approach outlined here provides a possibility to extend the theory of local-global…

Combinatorics · Mathematics 2018-10-18 Jaroslav Nesetril , Patrice Ossona de Mendez

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

Neural networks that satisfy invariance with respect to input permutations have been widely studied in machine learning literature. However, in many applications, only a subset of all input permutations is of interest. For heterogeneous…

Machine Learning · Computer Science 2023-02-28 Dmitry Rybin , Ruoyu Sun , Zhi-Quan Luo

We investigate the power of graph isomorphism algorithms based on algebraic reasoning techniques like Gr\"obner basis computation. The idea of these algorithms is to encode two graphs into a system of equations that are satisfiable if and…

Computational Complexity · Computer Science 2015-02-23 Christoph Berkholz , Martin Grohe

Existing Graph Neural Networks (GNNs) are limited to process graphs each of whose vertices is represented by a vector or a single value, limited their representing capability to describe complex objects. In this paper, we propose the first…

Machine Learning · Computer Science 2024-07-02 Jiongshu Wang , Jing Yang , Jiankang Deng , Hatice Gunes , Siyang Song

Despite the celebrated popularity of Graph Neural Networks (GNNs) across numerous applications, the ability of GNNs to generalize remains less explored. In this work, we propose to study the generalization of GNNs through a novel…

Machine Learning · Computer Science 2024-04-17 Shouheng Li , Dongwoo Kim , Qing Wang

Clique-width is a well-known graph parameter. Many NP-hard graph problems admit polynomial-time solutions when restricted to graphs of bounded clique-width. The same holds for NLC-width. In this paper we study the behavior of clique-width…

Data Structures and Algorithms · Computer Science 2016-06-07 Frank Gurski

Message passing neural networks (MPNNs) have emerged as the most popular framework of graph neural networks (GNNs) in recent years. However, their expressive power is limited by the 1-dimensional Weisfeiler-Lehman (1-WL) test. Some works…

Machine Learning · Computer Science 2024-01-17 Jiarui Feng , Lecheng Kong , Hao Liu , Dacheng Tao , Fuhai Li , Muhan Zhang , Yixin Chen

Following a general program of studying limits of discrete structures, and motivated by the theory of limit objects of converge sequences of dense simple graphs, we study the limit of graph sequences such that every edge is labeled by an…

Combinatorics · Mathematics 2010-10-26 László Lovász , Balázs Szegedy

Foundation models, such as Large Language Models (LLMs) or Large Vision Models (LVMs), have emerged as one of the most powerful tools in the respective fields. However, unlike text and image data, graph data do not have a definitive…

Machine Learning · Computer Science 2025-04-28 Lecheng Kong , Jiarui Feng , Hao Liu , Chengsong Huang , Jiaxin Huang , Yixin Chen , Muhan Zhang

Gaussian process (GP) regression is a fundamental tool in Bayesian statistics. It is also known as kriging and is the Bayesian counterpart to the frequentist kernel ridge regression. Most of the theoretical work on GP regression has focused…

Statistics Theory · Mathematics 2023-10-27 Simon Barthelmé , Pierre-Olivier Amblard , Nicolas Tremblay , Konstantin Usevich

Community detection is a central problem in graph analysis, with applications ranging from network science to graph signal processing. In recent years, Graph Neural Networks (GNNs) have emerged as effective tools for learning…

Numerical Analysis · Mathematics 2026-05-20 Roberto Cavoretto , Alessandra De Rossi , Enrico Montini
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