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Graph neural networks (GNNs) are the standard for learning on graphs, yet they have limited expressive power, often expressed in terms of the Weisfeiler-Leman (WL) hierarchy or within the framework of first-order logic. In this context,…

机器学习 · 计算机科学 2026-04-22 Amirreza Akbari , Amauri H. Souza , Vikas Garg

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

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

Graph Neural Networks (GNNs) are limited in their expressive power, struggle with long-range interactions and lack a principled way to model higher-order structures. These problems can be attributed to the strong coupling between the…

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…

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

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

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 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

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…

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), 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

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 isomorphism testing is usually approached via the comparison of graph invariants. Two popular alternatives that offer a good trade-off between expressive power and computational efficiency are combinatorial (i.e., obtained via the…

机器学习 · 计算机科学 2022-03-03 Or Feldman , Amit Boyarski , Shai Feldman , Dani Kogan , Avi Mendelson , Chaim Baskin

Topological deep learning is a rapidly growing field that pertains to the development of deep learning models for data supported on topological domains such as simplicial complexes, cell complexes, and hypergraphs, which generalize many…

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

Graph Neural Networks (GNNs) are known to match the distinguishing power of the 1-Weisfeiler-Lehman (1-WL) test, and the resulting partitions coincide with the unfolding tree equivalence classes of graphs. Preserving this equivalence, GNNs…

机器学习 · 计算机科学 2025-08-26 Silvia Beddar-Wiesing , Alice Moallemy-Oureh

Although recent advances in higher-order Graph Neural Networks (GNNs) improve the theoretical expressiveness and molecular property predictive performance, they often fall short of the empirical performance of models that explicitly use…

机器学习 · 计算机科学 2024-07-26 Tom Wollschläger , Niklas Kemper , Leon Hetzel , Johanna Sommer , Stephan Günnemann

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

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
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