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Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

Machine Learning · Computer Science 2022-10-17 Yili Shen , Xiao Liu , Cheng-Wei Ju , Jiaxu Yan , Jun Yi , Zhou Lin , Hui Guan

Subgraph isomorphism counting is an important problem on graphs, as many graph-based tasks exploit recurring subgraph patterns. Classical methods usually boil down to a backtracking framework that needs to navigate a huge search space with…

Machine Learning · Computer Science 2024-01-25 Xingtong Yu , Zemin Liu , Yuan Fang , Xinming Zhang

The gut microbiome, crucial for human health, presents challenges in analyzing its complex metaomic data due to high dimensionality and sparsity. Traditional methods struggle to capture its intricate relationships. We investigate graph…

Machine Learning · Computer Science 2025-06-24 Christopher Irwin , Flavio Mignone , Stefania Montani , Luigi Portinale

Although hypergraph neural networks (HGNNs) have emerged as a powerful framework for analyzing complex datasets, their practical performance often remains limited. On one hand, existing networks typically employ a single type of attention…

Machine Learning · Computer Science 2025-11-14 Murong Yang , Shihui Ying , Yue Gao , Xin-Jian Xu

The graph neural network (GNN) has been a powerful deep-learning tool in chemistry domain, due to its close connection with molecular graphs. Most GNN models collect and update atom and molecule features from the fed atom (and, in some…

Chemical Physics · Physics 2022-03-18 Yeji Kim , Yoonho Jeong , Jihoo Kim , Eok Kyun Lee , Won June Kim , Insung S. Choi

Graph Convolutional Networks (GCNs) have been widely demonstrated their powerful ability in graph data representation and learning. Existing graph convolution layers are mainly designed based on graph signal processing and transform aspect…

Computer Vision and Pattern Recognition · Computer Science 2022-04-27 Ziyan Zhang , Bo Jiang , Bin Luo

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

Breast cancer is one of the most common cancers in women worldwide, and early detection can significantly reduce the mortality rate of breast cancer. It is crucial to take multi-scale information of tissue structure into account in the…

Computer Vision and Pattern Recognition · Computer Science 2021-01-01 Mo Zhang , Quanzheng Li

Recent years have seen the advent of molecular simulation datasets that are orders of magnitude larger and more diverse. These new datasets differ substantially in four aspects of complexity: 1. Chemical diversity (number of different…

This paper studies semi-supervised graph classification, a crucial task with a wide range of applications in social network analysis and bioinformatics. Recent works typically adopt graph neural networks to learn graph-level representations…

Machine Learning · Computer Science 2023-04-25 Wei Ju , Xiao Luo , Meng Qu , Yifan Wang , Chong Chen , Minghua Deng , Xian-Sheng Hua , Ming Zhang

Graph Neural Networks (GNNs) is an architecture for structural data, and has been adopted in a mass of tasks and achieved fabulous results, such as link prediction, node classification, graph classification and so on. Generally, for a…

Machine Learning · Computer Science 2022-05-12 Ye Tang , Xuesong Yang , Xinrui Liu , Xiwei Zhao , Zhangang Lin , Changping Peng

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Machine Learning · Computer Science 2024-02-21 Xiandong Zou , Xiangyu Zhao , Pietro Liò , Yiren Zhao

Cancer cell response to targeted therapy arises from complex molecular interactions, making single omics insufficient for accurate prediction. This study develops a model to predict Dabrafenib sensitivity by integrating multiple omics…

Graph convolutional networks (GCNs) have emerged as a powerful alternative to multiple instance learning with convolutional neural networks in digital pathology, offering superior handling of structural information across various spatial…

Image and Video Processing · Electrical Eng. & Systems 2024-03-25 Victor Ibañez , Przemyslaw Szostak , Quincy Wong , Konstanty Korski , Samaneh Abbasi-Sureshjani , Alvaro Gomariz

Graph Neural Network (GNN) is an emerging technique for graph-based learning tasks such as node classification. In this work, we reveal the vulnerability of GNN to the imbalance of node labels. Traditional solutions for imbalanced…

Machine Learning · Computer Science 2022-02-08 Xiaohe Li , Lijie Wen , Yawen Deng , Fuli Feng , Xuming Hu , Lei Wang , Zide Fan

In recent years, deep learning models have been applied to neuroimaging data for early diagnosis of Alzheimer's disease (AD). Structural magnetic resonance imaging (sMRI) and positron emission tomography (PET) images provide structural and…

Image and Video Processing · Electrical Eng. & Systems 2023-08-01 Yanteng Zhanga , Xiaohai He , Yi Hao Chan , Qizhi Teng , Jagath C. Rajapakse

Geometric deep learning has made great strides towards generalizing the design of structure-aware neural networks from traditional domains to non-Euclidean ones, giving rise to graph neural networks (GNN) that can be applied to…

Machine Learning · Statistics 2024-10-28 Frederik Wenkel , Yimeng Min , Matthew Hirn , Michael Perlmutter , Guy Wolf

Due to a huge volume of information in many domains, the need for classification methods is imperious. In spite of many advances, most of the approaches require a large amount of labeled data, which is often not available, due to costs and…

Computer Vision and Pattern Recognition · Computer Science 2023-04-26 Lucas Pascotti Valem , Daniel Carlos Guimarães Pedronette , Longin Jan Latecki

Graph Neural Networks (GNNs) have enjoyed wide spread applications in graph-structured data. However, existing graph based applications commonly lack annotated data. GNNs are required to learn latent patterns from a limited amount of…

Machine Learning · Computer Science 2023-03-22 Wenqi Wei , Mu Qiao , Divyesh Jadav

This paper explores the applications and challenges of graph neural networks (GNNs) in processing complex graph data brought about by the rapid development of the Internet. Given the heterogeneity and redundancy problems that graph data…

Machine Learning · Computer Science 2024-10-24 Jianjun Wei , Yue Liu , Xin Huang , Xin Zhang , Wenyi Liu , Xu Yan
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