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Graph classification is an important problem with applications across many domains, like chemistry and bioinformatics, for which graph neural networks (GNNs) have been state-of-the-art (SOTA) methods. GNNs are designed to learn node-level…

Machine Learning · Computer Science 2021-08-25 Lanning Wei , Huan Zhao , Quanming Yao , Zhiqiang He

Graph neural networks (GNNs) have been used effectively in different applications involving the processing of signals on irregular structures modeled by graphs. Relying on the use of shift-invariant graph filters, GNNs extend the operation…

Machine Learning · Computer Science 2020-03-05 Alejandro Parada-Mayorga , Luana Ruiz , Alejandro Ribeiro

The integration of Graph Neural Networks (GNNs) with Large Language Models (LLMs) has emerged as a promising paradigm for Graph Question Answering (GraphQA). However, effective methods for encoding complex structural information into the…

Machine Learning · Computer Science 2026-04-02 Ankit Grover , Lodovico Giaretta , Rémi Bourgerie , Sarunas Girdzijauskas

The spatial convolution layer which is widely used in the Graph Neural Networks (GNNs) aggregates the feature vector of each node with the feature vectors of its neighboring nodes. The GNN is not aware of the locations of the nodes in the…

Machine Learning · Computer Science 2019-10-04 Mostafa Rahmani , Ping Li

Graph pooling is an essential ingredient of Graph Neural Networks (GNNs) in graph classification and regression tasks. For these tasks, different pooling strategies have been proposed to generate a graph-level representation by downsampling…

Machine Learning · Computer Science 2021-04-28 Kashob Kumar Roy , Amit Roy , A K M Mahbubur Rahman , M Ashraful Amin , Amin Ahsan Ali

Graph convolutional networks (GCNs) have achieved great success in graph representation learning by extracting high-level features from nodes and their topology. Since GCNs generally follow a message-passing mechanism, each node aggregates…

Machine Learning · Computer Science 2023-09-07 Wei Duan , Junyu Xuan , Maoying Qiao , Jie Lu

Graph neural networks get significant attention for graph representation and classification in machine learning community. Attention mechanism applied on the neighborhood of a node improves the performance of graph neural networks.…

Machine Learning · Computer Science 2020-07-22 Sambaran Bandyopadhyay , Manasvi Aggarwal , M. Narasimha Murty

Graph Neural Networks (GNNs) have proven effective for learning from graph-structured data through their neighborhood-based message passing framework. Many hierarchical graph clustering pooling methods modify this framework by introducing…

Machine Learning · Computer Science 2025-05-15 Yipeng Zhang , Longlong Li , Kelin Xia

With the advent of data science, the analysis of network or graph data has become a very timely research problem. A variety of recent works have been proposed to generalize neural networks to graphs, either from a spectral graph theory or a…

Machine Learning · Computer Science 2019-12-12 Xing Gao , Hongkai Xiong , Pascal Frossard

Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs…

Machine Learning · Computer Science 2022-01-24 Zhanghao Wu , Paras Jain , Matthew A. Wright , Azalia Mirhoseini , Joseph E. Gonzalez , Ion Stoica

Graph Neural Networks (GNNs) have proven to be effective in processing and learning from graph-structured data. However, previous works mainly focused on understanding single graph inputs while many real-world applications require pair-wise…

Machine Learning · Computer Science 2023-07-31 Junhyun Lee , Bumsoo Kim , Minji Jeon , Jaewoo Kang

Pooling is a critical operation in convolutional neural networks for increasing receptive fields and improving robustness to input variations. Most existing pooling operations downsample the feature maps, which is a lossy process. Moreover,…

Computer Vision and Pattern Recognition · Computer Science 2021-04-05 Jiaojiao Zhao , Cees G. M. Snoek

Graph neural networks achieve high accuracy in link prediction by jointly leveraging graph topology and node attributes. Topology, however, is represented indirectly; state-of-the-art methods based on subgraph classification label nodes…

Machine Learning · Computer Science 2022-03-17 Liming Pan , Cheng Shi , Ivan Dokmanić

Graph pooling, which compresses a whole graph into a smaller coarsened graph, is an essential component of graph representation learning. To efficiently compress a given graph, graph pooling methods often drop their nodes with…

Machine Learning · Computer Science 2025-07-18 Hanjin Kim , Jiseong Park , Seojin Kim , Jueun Choi , Doheon Lee , Sung Ju Hwang

Though the multiscale graph learning techniques have enabled advanced feature extraction frameworks, the classic ensemble strategy may show inferior performance while encountering the high homogeneity of the learnt representation, which is…

Machine Learning · Computer Science 2021-03-18 Yuzhao Chen , Yatao Bian , Jiying Zhang , Xi Xiao , Tingyang Xu , Yu Rong , Junzhou Huang

Graph pooling is a family of operations which take graphs as input and produce shrinked graphs as output. Modern graph pooling methods are trainable and, in general inserted in Graph Neural Networks (GNNs) architectures as graph shrinking…

Machine Learning · Computer Science 2024-12-05 Yizhu Chen

This paper introduces SpaPool, a novel pooling method that combines the strengths of both dense and sparse techniques for a graph neural network. SpaPool groups vertices into an adaptive number of clusters, leveraging the benefits of both…

Machine Learning · Statistics 2025-10-15 Rodrigue Govan , Romane Scherrer , Philippe Fournier-Viger , Nazha Selmaoui-Folcher

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

Recent advances in representation learning on graphs, mainly leveraging graph convolutional networks, have brought a substantial improvement on many graph-based benchmark tasks. While novel approaches to learning node embeddings are highly…

Machine Learning · Statistics 2018-11-06 Cătălina Cangea , Petar Veličković , Nikola Jovanović , Thomas Kipf , Pietro Liò

Graph Neural Networks (GNN) have been shown to work effectively for modeling graph structured data to solve tasks such as node classification, link prediction and graph classification. There has been some recent progress in defining the…

Machine Learning · Computer Science 2020-02-04 Ekagra Ranjan , Soumya Sanyal , Partha Pratim Talukdar