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The pairwise interaction paradigm of graph machine learning has predominantly governed the modelling of relational systems. However, graphs alone cannot capture the multi-level interactions present in many complex systems and the expressive…

Graph Neural Networks (GNNs), despite achieving remarkable performance across different tasks, are theoretically bounded by the 1-Weisfeiler-Lehman test, resulting in limitations in terms of graph expressivity. Even though prior works on…

机器学习 · 计算机科学 2024-04-02 Quang Truong , Peter Chin

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

Message passing graph neural networks (GNNs) are known to have their expressiveness upper-bounded by 1-dimensional Weisfeiler-Leman (1-WL) algorithm. To achieve more powerful GNNs, existing attempts either require ad hoc features, or…

机器学习 · 计算机科学 2024-01-24 Meng Liu , Haiyang Yu , Shuiwang Ji

Since the Message Passing (Graph) Neural Networks (MPNNs) have a linear complexity with respect to the number of nodes when applied to sparse graphs, they have been widely implemented and still raise a lot of interest even though their…

机器学习 · 计算机科学 2021-06-15 Muhammet Balcilar , Pierre Héroux , Benoit Gaüzère , Pascal Vasseur , Sébastien Adam , Paul Honeine

Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

机器学习 · 计算机科学 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

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

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

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

In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically --…

Recent work shows that the expressive power of Graph Neural Networks (GNNs) in distinguishing non-isomorphic graphs is exactly the same as that of the Weisfeiler-Lehman (WL) graph test. In particular, they show that the WL test can be…

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

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

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

机器学习 · 计算机科学 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

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

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

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

Message Passing Neural Networks (MPNNs) are a common type of Graph Neural Network (GNN), in which each node's representation is computed recursively by aggregating representations (messages) from its immediate neighbors akin to a…

机器学习 · 计算机科学 2022-04-22 Lingxiao Zhao , Wei Jin , Leman Akoglu , Neil Shah

Graph Neural Networks (GNNs) have become essential in high-stakes domains such as drug discovery, yet their black-box nature remains a significant barrier to trustworthiness. While self-explainable GNNs attempt to bridge this gap, they…

机器学习 · 计算机科学 2026-02-25 Chuqin Geng , Li Zhang , Haolin Ye , Ziyu Zhao , Yuhe Jiang , Tara Saba , Xinyu Wang , Xujie Si

Graph Neural Networks (GNNs) have emerged as a powerful tool for data-driven learning on various graph domains. They are usually based on a message-passing mechanism and have gained increasing popularity for their intuitive formulation,…

机器学习 · 计算机科学 2023-11-02 Giuseppe Alessio D'Inverno , Simone Brugiapaglia , Mirco Ravanelli
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