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Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressive power of graph neural networks (GNN). It was shown that the popular message passing GNN cannot distinguish between graphs that are…

机器学习 · 计算机科学 2020-06-11 Haggai Maron , Heli Ben-Hamu , Hadar Serviansky , Yaron Lipman

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

机器学习 · 计算机科学 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

The expressive power of Graph Neural Networks (GNNs) is often analysed via correspondence to the Weisfeiler-Leman (WL) algorithm and fragments of first-order logic. Standard GNNs are limited to performing aggregation over immediate…

机器学习 · 计算机科学 2026-02-23 Huan Luo , Jonni Virtema

Recently, subgraph GNNs have emerged as an important direction for developing expressive graph neural networks (GNNs). While numerous architectures have been proposed, so far there is still a limited understanding of how various design…

机器学习 · 计算机科学 2023-03-30 Bohang Zhang , Guhao Feng , Yiheng Du , Di He , Liwei Wang

Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as…

机器学习 · 计算机科学 2025-12-29 Chengyu Tian , Wenbin Pei

In recent years, Graph Neural Network (GNN) has bloomly progressed for its power in processing graph-based data. Most GNNs follow a message passing scheme, and their expressive power is mathematically limited by the discriminative ability…

机器学习 · 计算机科学 2021-04-06 Alan J. X. Guo , Qing-Hu Hou , Ou Wu

Message passing neural networks (MPNNs) have become a dominant flavor of graph neural networks (GNNs) in recent years. Yet, MPNNs come with notable limitations; namely, they are at most as powerful as the 1-dimensional Weisfeiler-Leman…

机器学习 · 计算机科学 2022-11-04 Lingxiao Zhao , Louis Härtel , Neil Shah , Leman Akoglu

The expressive power of Graph Neural Networks (GNNs) has been studied extensively through the Weisfeiler-Leman (WL) graph isomorphism test. However, standard GNNs and the WL framework are inapplicable for geometric graphs embedded in…

机器学习 · 计算机科学 2024-03-05 Chaitanya K. Joshi , Cristian Bodnar , Simon V. Mathis , Taco Cohen , Pietro Liò

Characterizing the separation power of graph neural networks (GNNs) provides an understanding of their limitations for graph learning tasks. Results regarding separation power are, however, usually geared at specific GNN architectures, and…

机器学习 · 计算机科学 2022-04-12 Floris Geerts , Juan L. Reutter

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…

机器学习 · 计算机科学 2022-02-01 Pál András Papp , Roger Wattenhofer

Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a…

机器学习 · 计算机科学 2024-02-13 Bohang Zhang , Shengjie Luo , Liwei Wang , Di He

Numerous recent works have analyzed the expressive power of message-passing graph neural networks (MPNNs), primarily utilizing combinatorial techniques such as the $1$-dimensional Weisfeiler-Leman test ($1$-WL) for the graph isomorphism…

机器学习 · 计算机科学 2023-11-03 Jan Böker , Ron Levie , Ningyuan Huang , Soledad Villar , Christopher Morris

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…

机器学习 · 计算机科学 2023-06-06 Omri Puny , Derek Lim , Bobak T. Kiani , Haggai Maron , Yaron Lipman

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

机器学习 · 计算机科学 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

Graph neural networks (GNNs) have become the \textit{de facto} standard for representational learning in graphs, and have achieved state-of-the-art performance in many graph-related tasks; however, it has been shown that the expressive…

机器学习 · 计算机科学 2024-06-28 Tianjun Yao , Yiongxu Wang , Kun Zhang , Shangsong Liang

The expressive power of message passing GNNs is upper-bounded by Weisfeiler-Lehman (WL) test. To achieve high expressive GNNs beyond WL test, we propose a novel graph isomorphism test method, namely Twin-WL, which simultaneously passes node…

机器学习 · 计算机科学 2022-03-23 Zhaohui Wang , Qi Cao , Huawei Shen , Bingbing Xu , Xueqi Cheng

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…

机器学习 · 计算机科学 2022-01-11 Martin Grohe

Combinatorial complexes have unified set-based (e.g., graphs, hypergraphs) and part-whole (e.g., simplicial, cellular complexes) structures into a common topological framework. Existing topological neural networks and Weisfeiler-Lehman…

机器学习 · 计算机科学 2026-05-04 Jiawen Chen , Qi Shao , Duxin Chen , Wenwu Yu

Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressiveness of graph neural networks (GNNs), showing that the neighborhood aggregation GNNs were at most as powerful as 1-WL test in distinguishing graph…

机器学习 · 计算机科学 2020-12-15 Mingqi Yang , Yanming Shen , Heng Qi , Baocai Yin

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

机器学习 · 计算机科学 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka
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