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Graph neural networks (GNNs) update the hidden representations of vertices (called Vertex-GNNs) or hidden representations of edges (called Edge-GNNs) by processing and pooling the information of neighboring vertices and edges and combining…

Machine Learning · Computer Science 2023-12-27 Yao Peng , Jia Guo , Chenyang Yang

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

Message passing neural networks (MPNNs) learn the representation of graph-structured data based on graph original information, including node features and graph structures, and have shown astonishing improvement in node classification…

Machine Learning · Computer Science 2023-01-30 Xiao Liu , Lijun Zhang , Hui Guan

As a classical approach on graph learning, the propagation-aggregation methodology is widely exploited by many of Graph Neural Networks (GNNs), wherein the representation of a node is updated by aggregating representations from itself and…

Machine Learning · Computer Science 2025-12-08 Xiao Yue , Bo Liu , Feng Zhang , Guangzhi Qu

Most Graph Neural Networks (GNNs) propagate messages by treating node embeddings as holistic feature vectors, implicitly assuming uniform relevance across feature dimensions. This limits their ability to selectively transmit informative…

Machine Learning · Computer Science 2025-12-24 Longlong Li , Mengyang Zhao , Guanghui Wang , Cunquan Qu

Message-passing neural networks (MPNNs) are a powerful framework for learning representations of graph-structured domains. However, weights in MPNNs act on features only, limiting their ability to capture structural patterns. We introduce a…

Machine Learning · Computer Science 2026-05-26 Florian Seiffarth

Graph neural networks (GNNs) have achieved remarkable success as a framework for deep learning on graph-structured data. However, GNNs are fundamentally limited by their tree-structured inductive bias: the WL-subtree kernel formulation…

Machine Learning · Computer Science 2021-07-26 Dylan Sandfelder , Priyesh Vijayan , William L. Hamilton

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…

Machine Learning · Computer Science 2022-03-23 Zhaohui Wang , Qi Cao , Huawei Shen , Bingbing Xu , Xueqi Cheng

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…

Machine Learning · Computer Science 2022-04-22 Lingxiao Zhao , Wei Jin , Leman Akoglu , Neil Shah

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

The most popular design paradigm for Graph Neural Networks (GNNs) is 1-hop message passing -- aggregating information from 1-hop neighbors repeatedly. However, the expressive power of 1-hop message passing is bounded by the…

Machine Learning · Computer Science 2023-01-09 Jiarui Feng , Yixin Chen , Fuhai Li , Anindya Sarkar , Muhan Zhang

In recent studies, neural message passing has proved to be an effective way to design graph neural networks (GNNs), which have achieved state-of-the-art performance in many graph-based tasks. However, current neural-message passing…

Machine Learning · Computer Science 2021-04-21 Wentao Zhang , Yu Shen , Zheyu Lin , Yang Li , Xiaosen Li , Wen Ouyang , Yangyu Tao , Zhi Yang , Bin Cui

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Machine Learning · Computer Science 2021-05-04 Jing Huang , Jie Yang

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…

Machine Learning · Computer Science 2021-04-06 Alan J. X. Guo , Qing-Hu Hou , Ou Wu

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

Incorporating spectral information to enhance Graph Neural Networks (GNNs) has shown promising results but raises a fundamental challenge due to the inherent ambiguity of eigenvectors. Various architectures have been proposed to address…

Machine Learning · Computer Science 2024-06-07 Bohang Zhang , Lingxiao Zhao , Haggai Maron

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

With the increasing use of Graph Neural Networks (GNNs) in critical real-world applications, several post hoc explanation methods have been proposed to understand their predictions. However, there has been no work in generating explanations…

Machine Learning · Computer Science 2022-12-02 Valentina Giunchiglia , Chirag Varun Shukla , Guadalupe Gonzalez , Chirag Agarwal

Graph neural networks (GNNs) have achieved superior performance in various applications, but training dedicated GNNs can be costly for large-scale graphs. Some recent work started to study the pre-training of GNNs. However, none of them…

Machine Learning · Computer Science 2021-10-27 Qi Zhu , Carl Yang , Yidan Xu , Haonan Wang , Chao Zhang , Jiawei Han

Graph Neural Networks (GNNs) traditionally employ a message-passing mechanism that resembles diffusion over undirected graphs, which often leads to homogenization of node features and reduced discriminative power in tasks such as node…

Machine Learning · Computer Science 2025-03-04 Seong Ho Pahng , Sahand Hormoz