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Message-passing graph neural networks (MPNNs) have emerged as the leading approach for machine learning on graphs, attracting significant attention in recent years. While a large set of works explored the expressivity of MPNNs, i.e., their…

Machine Learning · Computer Science 2025-03-21 Antonis Vasileiou , Stefanie Jegelka , Ron Levie , Christopher Morris

Graph neural networks (GNNs) have become powerful tools for processing graph-based information in various domains. A desirable property of GNNs is transferability, where a trained network can swap in information from a different graph…

Machine Learning · Computer Science 2024-06-24 A. Martina Neuman , Jason J. Bramburger

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

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

Machine Learning · Computer Science 2023-01-20 Michele Guerra , Indro Spinelli , Simone Scardapane , Filippo Maria Bianchi

Graph Neural Networks (GNNs) are widely used for graph representation learning in many application domains. The expressiveness of vanilla GNNs is upper-bounded by 1-dimensional Weisfeiler-Leman (1-WL) test as they operate on rooted subtrees…

Machine Learning · Computer Science 2024-01-10 Jiaxing Xu , Aihu Zhang , Qingtian Bian , Vijay Prakash Dwivedi , Yiping Ke

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

Graph Convolutional Networks (GCNs) are powerful for processing graph-structured data and have achieved state-of-the-art performance in several tasks such as node classification, link prediction, and graph classification. However, it is…

Machine Learning · Computer Science 2021-10-19 Langzhang Liang , Cuiyun Gao , Shiyi Chen , Shishi Duan , Yu pan , Junjin Zheng , Lei Wang , Zenglin Xu

In this paper, we present a novel interpretation of the so-called Weisfeiler-Lehman (WL) distance, introduced by Chen et al. (2022), using concepts from stochastic processes. The WL distance aims at comparing graphs with node features, has…

Machine Learning · Computer Science 2023-10-03 Samantha Chen , Sunhyuk Lim , Facundo Mémoli , Zhengchao Wan , Yusu Wang

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…

Machine Learning · Computer Science 2025-08-26 Silvia Beddar-Wiesing , Alice Moallemy-Oureh

Message passing Graph Neural Networks (GNNs) are known to be limited in expressive power by the 1-WL color-refinement test for graph isomorphism. Other more expressive models either are computationally expensive or need preprocessing to…

Machine Learning · Computer Science 2024-02-01 Mohammed Haroon Dupty , Yanfei Dong , Wee Sun Lee

The expressive power of message-passing graph neural networks (MPNNs) is reasonably well understood, primarily through combinatorial techniques from graph isomorphism testing. However, MPNNs' generalization abilities -- making meaningful…

Machine Learning · Computer Science 2024-12-11 Antonis Vasileiou , Ben Finkelshtein , Floris Geerts , Ron Levie , Christopher Morris

Graph neural network (GNN)'s success in graph classification is closely related to the Weisfeiler-Lehman (1-WL) algorithm. By iteratively aggregating neighboring node features to a center node, both 1-WL and GNN obtain a node representation…

Machine Learning · Computer Science 2021-10-27 Muhan Zhang , Pan Li

Graph Neural Networks (GNNs) suffer from over-smoothing in deep architectures and expressiveness bounded by the 1-Weisfeiler-Leman (1-WL) test. We adapt Manifold-Constrained Hyper-Connections (\mhc)~\citep{xie2025mhc}, recently proposed for…

Machine Learning · Computer Science 2026-01-07 Subhankar Mishra

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…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

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…

Machine Learning · Computer Science 2022-01-11 Martin Grohe

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…

Machine Learning · Computer Science 2024-06-28 Tianjun Yao , Yiongxu Wang , Kun Zhang , Shangsong Liang

We focus on graph classification using a graph neural network (GNN) model that precomputes the node features using a bank of neighborhood aggregation graph operators arranged in parallel. These GNN models have a natural advantage of reduced…

Machine Learning · Computer Science 2022-11-23 Siddhant Doshi , Sundeep Prabhakar Chepuri

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

The invariance to permutations of the adjacency matrix, i.e., graph isomorphism, is an overarching requirement for Graph Neural Networks (GNNs). Conventionally, this prerequisite can be satisfied by the invariant operations over node…

Machine Learning · Computer Science 2022-05-31 Zhongyu Huang , Yingheng Wang , Chaozhuo Li , Huiguang He

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