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Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

Machine Learning · Computer Science 2024-02-16 Guoji Fu , Mohammed Haroon Dupty , Yanfei Dong , Lee Wee Sun

Recent work in graph neural networks (GNNs) has led to improvements in molecular activity and property prediction tasks. Unfortunately, GNNs often fail to capture the relative importance of interactions between molecular substructures, in…

Machine Learning · Computer Science 2020-04-03 Emmanuel Noutahi , Dominique Beaini , Julien Horwood , Sébastien Giguère , Prudencio Tossou

In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Machine Learning · Computer Science 2021-09-09 Lilapati Waikhom , Ripon Patgiri

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

Machine Learning · Computer Science 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

Hypergraphs, with their capacity to depict high-order relationships, have emerged as a significant extension of traditional graphs. Although Graph Neural Networks (GNNs) have remarkable performance in graph representation learning, their…

Machine Learning · Computer Science 2024-11-07 Khaled Mohammed Saifuddin , Mehmet Emin Aktas , Esra Akbas

Graph neural networks (GNNs) have shown great power in learning on attributed graphs. However, it is still a challenge for GNNs to utilize information faraway from the source node. Moreover, general GNNs require graph attributes as input,…

Machine Learning · Computer Science 2021-12-28 Danhao Zhu , Xin-yu Dai , Jiajun Chen

In recent years, spectral graph neural networks, characterized by polynomial filters, have garnered increasing attention and have achieved remarkable performance in tasks such as node classification. These models typically assume that…

Machine Learning · Computer Science 2025-02-25 Kangkang Lu , Yanhua Yu , Hao Fei , Xuan Li , Zixuan Yang , Zirui Guo , Meiyu Liang , Mengran Yin , Tat-Seng Chua

Graph representation learning has attracted a surge of interest recently, whose target at learning discriminant embedding for each node in the graph. Most of these representation methods focus on supervised learning and heavily depend on…

Machine Learning · Computer Science 2021-07-07 Pengpeng Shao , Tong Liu , Dawei Zhang , Jianhua Tao , Feihu Che , Guohua Yang

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly,…

Machine Learning · Computer Science 2024-06-06 Yuhui Ding , Antonio Orvieto , Bobby He , Thomas Hofmann

Graph Neural Networks (GNNs) with equivariant properties have achieved significant success in modeling complex dynamic systems and molecular properties. However, their expressiveness ability is limited by: (1) Existing methods often…

Machine Learning · Computer Science 2025-11-04 Yingxu Wang , Nan Yin , Mingyan Xiao , Xinhao Yi , Siwei Liu , Shangsong Liang

This paper builds on the connection between graph neural networks and traditional dynamical systems. We propose continuous graph neural networks (CGNN), which generalise existing graph neural networks with discrete dynamics in that they can…

Machine Learning · Computer Science 2020-07-17 Louis-Pascal A. C. Xhonneux , Meng Qu , Jian Tang

We propose a symmetric graph convolutional autoencoder which produces a low-dimensional latent representation from a graph. In contrast to the existing graph autoencoders with asymmetric decoder parts, the proposed autoencoder has a newly…

Machine Learning · Computer Science 2019-08-08 Jiwoong Park , Minsik Lee , Hyung Jin Chang , Kyuewang Lee , Jin Young Choi

The network embedding problem that maps nodes in a graph to vectors in Euclidean space can be very useful for addressing several important tasks on a graph. Recently, graph neural networks (GNNs) have been proposed for solving such a…

Machine Learning · Computer Science 2020-09-23 Ping-En Lu , Cheng-Shang Chang

Message passing graph neural networks are widely used for learning on graphs, yet their expressive power is limited by the one-dimensional Weisfeiler-Lehman test and can fail to distinguish structurally different nodes. We provide rigorous…

Machine Learning · Computer Science 2025-11-25 Zimo Yan , Zheng Xie , Chang Liu , Yuan Wang

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

Machine Learning · Computer Science 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

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…

Machine Learning · Computer Science 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

Learning from graph-structured data is an important task in machine learning and artificial intelligence, for which Graph Neural Networks (GNNs) have shown great promise. Motivated by recent advances in geometric representation learning, we…

Machine Learning · Computer Science 2019-10-30 Qi Liu , Maximilian Nickel , Douwe Kiela

Graph contrastive learning (GCL) has recently emerged as a new concept which allows for capitalizing on the strengths of graph neural networks (GNNs) to learn rich representations in a wide variety of applications which involve abundant…

Machine Learning · Computer Science 2024-06-26 Yuzhou Chen , Jose Frias , Yulia R. Gel

Graph neural networks (GNNs) are learning architectures that rely on knowledge of the graph structure to generate meaningful representations of large-scale network data. GNN stability is thus important as in real-world scenarios there are…

Machine Learning · Computer Science 2021-04-27 Luana Ruiz , Zhiyang Wang , Alejandro Ribeiro
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