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Related papers: MPool: Motif-Based Graph Pooling

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We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…

Machine Learning · Computer Science 2022-06-08 Zhaoning Yu , Hongyang Gao

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Machine Learning · Computer Science 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

In this paper we propose a pooling approach for convolutional information processing on graphs relying on the theory of graphons and limits of dense graph sequences. We present three methods that exploit the induced graphon representation…

Machine Learning · Computer Science 2023-08-24 Alejandro Parada-Mayorga , Zhiyang Wang , Alejandro Ribeiro

Graph pooling is commonly applied in graph classification, yet its empirical gains over standard WL-1 expressive GNNs are often marginal or inconsistent. We study this gap by analysing the interaction between node features and graph…

Machine Learning · Computer Science 2026-05-08 Jan von Pichowski , Alžbeta Hrabošová , Ingo Scholtes , Christopher Blöcker

Recently emerged Topological Deep Learning (TDL) methods aim to extend current Graph Neural Networks (GNN) by naturally processing higher-order interactions, going beyond the pairwise relations and local neighborhoods defined by graph…

Graph Neural Networks (GNNs) require a large number of labeled graph samples to obtain good performance on the graph classification task. The performance of GNNs degrades significantly as the number of labeled graph samples decreases. To…

Machine Learning · Computer Science 2023-09-20 Abdullah Alchihabi , Yuhong Guo

Current modularity-based community detection algorithms attempt to find cluster memberships that maximize modularity within a fixed graph topology. Diverging from this conventional approach, our work introduces a novel strategy that employs…

Data Analysis, Statistics and Probability · Physics 2024-02-27 Yongyu Wang , Shiqi Hao , Xiaoyang Wang , Xiaotian Zhuang

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

Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In…

Quantitative Methods · Quantitative Biology 2021-10-19 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Chee-Kong Lee

Brain surface analysis is essential to neuroscience, however, the complex geometry of the brain cortex hinders computational methods for this task. The difficulty arises from a discrepancy between 3D imaging data, which is represented in…

Computer Vision and Pattern Recognition · Computer Science 2019-11-25 Karthik Gopinath , Christian Desrosiers , Herve Lombaert

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

We consider the explanation problem of Graph Neural Networks (GNNs). Most existing GNN explanation methods identify the most important edges or nodes but fail to consider substructures, which are more important for graph data. The only…

Machine Learning · Computer Science 2023-02-28 Zhaoning Yu , Hongyang Gao

Graph Neural Networks (GNNs) have been predominant for graph learning tasks; however, recent studies showed that a well-known graph algorithm, Label Propagation (LP), combined with a shallow neural network can achieve comparable performance…

Machine Learning · Computer Science 2022-12-01 Zhiqiang Zhong , Sergey Ivanov , Jun Pang

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

Accurate traffic conditions prediction provides a solid foundation for vehicle-environment coordination and traffic control tasks. Because of the complexity of road network data in spatial distribution and the diversity of deep learning…

Machine Learning · Computer Science 2022-09-09 Shilin Pu , Liang Chu , Zhuoran Hou , Jincheng Hu , Yanjun Huang , Yuanjian Zhang

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

Machine Learning · Computer Science 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

We propose a novel pool-based Active Learning framework constructed on a sequential Graph Convolution Network (GCN). Each image's feature from a pool of data represents a node in the graph and the edges encode their similarities. With a…

Computer Vision and Pattern Recognition · Computer Science 2021-04-02 Razvan Caramalau , Binod Bhattarai , Tae-Kyun Kim

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

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

Machine Learning · Computer Science 2026-03-10 Xiang Li , Jianpeng Qi , Haobing Liu , Yuan Cao , Guoqing Chao , Zhongying Zhao , Junyu Dong , Xinwang Liu , Yanwei Yu

In view of the huge success of convolution neural networks (CNN) for image classification and object recognition, there have been attempts to generalize the method to general graph-structured data. One major direction is based on spectral…

Machine Learning · Computer Science 2020-03-09 Feng Ji , Jielong Yang , Qiang Zhang , Wee Peng Tay