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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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 2021-04-27 Luana Ruiz , Zhiyang Wang , Alejandro Ribeiro