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Expressivity and generalization are two critical aspects of graph neural networks (GNNs). While significant progress has been made in studying the expressivity of GNNs, much less is known about their generalization capabilities,…

Machine Learning · Computer Science 2024-10-15 Shouheng Li , Floris Geerts , Dongwoo Kim , Qing Wang

The $k$-Weisfeiler-Leman ($k$-WL) graph isomorphism test hierarchy is a common method for assessing the expressive power of graph neural networks (GNNs). Recently, GNNs whose expressive power is equivalent to the $2$-WL test were proven to…

Machine Learning · Computer Science 2024-06-27 Snir Hordan , Tal Amir , Nadav Dym

Graph Neural Networks (GNNs) have demonstrated superior performance on various graph learning tasks, including recommendation, where they leverage user-item collaborative filtering signals in graphs. However, theoretical formulations of…

Information Retrieval · Computer Science 2023-09-19 Xuheng Cai , Lianghao Xia , Xubin Ren , Chao Huang

The expressive power of graph neural networks is usually measured by comparing how many pairs of graphs or nodes an architecture can possibly distinguish as non-isomorphic to those distinguishable by the $k$-dimensional Weisfeiler-Leman…

Machine Learning · Computer Science 2024-04-02 Arjun Subramonian , Adina Williams , Maximilian Nickel , Yizhou Sun , Levent Sagun

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

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…

Machine Learning · Computer Science 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

Relational pooling is a framework for building more expressive and permutation-invariant graph neural networks. However, there is limited understanding of the exact enhancement in the expressivity of RP and its connection with the…

Machine Learning · Computer Science 2023-05-10 Cai Zhou , Xiyuan Wang , Muhan Zhang

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Machine Learning · Computer Science 2024-02-21 Xiandong Zou , Xiangyu Zhao , Pietro Liò , Yiren Zhao

Despite significant advances in Graph Neural Networks (GNNs), their limited expressivity remains a fundamental challenge. Research on GNN expressivity has produced many expressive architectures, leading to architecture hierarchies with…

Machine Learning · Computer Science 2025-10-06 Yam Eitan , Moshe Eliasof , Yoav Gelberg , Fabrizio Frasca , Guy Bar-Shalom , Haggai Maron

Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add…

Machine Learning · Computer Science 2021-01-07 Kenta Oono , Taiji Suzuki

Current GNN architectures use a vertex neighborhood aggregation scheme, which limits their discriminative power to that of the 1-dimensional Weisfeiler-Lehman (WL) graph isomorphism test. Here, we propose a novel graph convolution operator…

Machine Learning · Computer Science 2020-09-22 Clemens Damke , Vitalik Melnikov , Eyke Hüllermeier

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…

Machine Learning · Computer Science 2026-05-04 Jiawen Chen , Qi Shao , Duxin Chen , Wenwu Yu

The study of Graph Neural Networks has received considerable interest in the past few years. By extending deep learning to graph-structured data, GNNs can solve a diverse set of tasks in fields including social science, chemistry, and…

Machine Learning · Computer Science 2024-03-12 Ashwin Nalwade , Kelly Marshall , Axel Eladi , Umang Sharma

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

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,…

Machine Learning · Computer Science 2026-04-22 Amirreza Akbari , Amauri H. Souza , Vikas Garg

Theoretical studies on the representation power of GNNs have been centered around understanding the equivalence of GNNs, using WL-Tests for detecting graph isomorphism. In this paper, we argue that such equivalence ignores the accompanying…

Machine Learning · Computer Science 2024-08-26 P. Krishna Kumar a , Harish G. Ramaswamy

Various recent proposals increase the distinguishing power of Graph Neural Networks GNNs by propagating features between $k$-tuples of vertices. The distinguishing power of these "higher-order'' GNNs is known to be bounded by the…

Machine Learning · Computer Science 2021-06-15 Pablo Barceló , Floris Geerts , Juan Reutter , Maksimilian Ryschkov

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…

Machine Learning · Computer Science 2022-03-03 Or Feldman , Amit Boyarski , Shai Feldman , Dani Kogan , Avi Mendelson , Chaim Baskin

Recently, many works studied the expressive power of graph neural networks (GNNs) by linking it to the $1$-dimensional Weisfeiler--Leman algorithm ($1\text{-}\mathsf{WL}$). Here, the $1\text{-}\mathsf{WL}$ is a well-studied heuristic for…

Machine Learning · Computer Science 2023-05-31 Christopher Morris , Floris Geerts , Jan Tönshoff , Martin Grohe

The expressive power of message passing neural networks (MPNNs) is known to match the expressive power of the 1-dimensional Weisfeiler-Leman graph (1-WL) isomorphism test. To boost the expressive power of MPNNs, a number of graph neural…

Machine Learning · Computer Science 2020-06-18 Floris Geerts