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Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful…

Machine Learning · Computer Science 2021-09-27 Shuangli Li , Jingbo Zhou , Tong Xu , Dejing Dou , Hui Xiong

Graph Contrastive Learning (GCL) is a widely adopted approach in self-supervised graph representation learning, applying contrastive objectives to produce effective representations. However, current GCL methods primarily focus on capturing…

Machine Learning · Computer Science 2025-07-11 Dongxiao He , Yongqi Huang , Jitao Zhao , Xiaobao Wang , Zhen Wang

Graph contrastive learning (GCL) has recently emerged as an effective learning paradigm to alleviate the reliance on labelling information for graph representation learning. The core of GCL is to maximise the mutual information between the…

Machine Learning · Computer Science 2022-10-18 Yizhen Zheng , Yu Zheng , Xiaofei Zhou , Chen Gong , Vincent CS Lee , Shirui Pan

Linearized Graph Neural Networks (GNNs) have attracted great attention in recent years for graph representation learning. Compared with nonlinear Graph Neural Network (GNN) models, linearized GNNs are much more time-efficient and can…

Machine Learning · Computer Science 2023-02-02 Yulin Zhu , Xing Ai , Qimai Li , Xiao-Ming Wu , Kai Zhou

Graph Neural Networks (GNNs) have achieved a lot of success on graph-structured data. However, it is observed that the performance of graph neural networks does not improve as the number of layers increases. This effect, known as…

Machine Learning · Computer Science 2020-06-25 Chen Cai , Yusu Wang

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures;…

Machine Learning · Computer Science 2022-01-19 Yixin Liu , Yu Zheng , Daokun Zhang , Hongxu Chen , Hao Peng , Shirui Pan

Graph representation learning has emerged as a powerful tool for preserving graph topology when mapping nodes to vector representations, enabling various downstream tasks such as node classification and community detection. However, most…

Machine Learning · Computer Science 2025-03-21 Kaizhe Fan , Quanjun Li

Many interesting problems in machine learning are being revisited with new deep learning tools. For graph-based semisupervised learning, a recent important development is graph convolutional networks (GCNs), which nicely integrate local…

Machine Learning · Computer Science 2018-01-24 Qimai Li , Zhichao Han , Xiao-Ming Wu

In this work we investigate an observation made by Kipf \& Welling, who suggested that untrained GCNs can generate meaningful node embeddings. In particular, we investigate the effect of training only a single layer of a GCN, while keeping…

Machine Learning · Computer Science 2024-10-18 Dimitrios Kelesis , Dimitris Fotakis , Georgios Paliouras

Graph Neural Networks (GNNs) have shown great potential in graph data analysis due to their powerful representation capabilities. However, as the network depth increases, the issue of over-smoothing becomes more severe, causing node…

Machine Learning · Computer Science 2025-07-09 Kaichen Ouyang

Graph contrastive learning has emerged as a powerful technique for learning graph representations that are robust and discriminative. However, traditional approaches often neglect the critical role of subgraph structures, particularly the…

Machine Learning · Computer Science 2025-03-14 Tianhao Peng , Xuhong Li , Haitao Yuan , Yuchen Li , Haoyi Xiong

Graph Contrastive Learning (GCL) has emerged as a leading paradigm for self-supervised learning on graphs, with strong performance reported on standardized datasets and growing applications ranging from genomics to drug discovery. We ask a…

Machine Learning · Computer Science 2025-09-04 Smayan Khanna , Doruk Efe Gökmen , Risi Kondor , Vincenzo Vitelli

Graph contrastive learning (GCL) has emerged as an effective tool for learning unsupervised representations of graphs. The key idea is to maximize the agreement between two augmented views of each graph via data augmentation. Existing GCL…

Machine Learning · Computer Science 2022-09-16 Xin Zhang , Qiaoyu Tan , Xiao Huang , Bo Li

Self-supervised learning (especially contrastive learning) methods on heterogeneous graphs can effectively get rid of the dependence on supervisory data. Meanwhile, most existing representation learning methods embed the heterogeneous…

Machine Learning · Computer Science 2022-06-28 Shichao Zhu , Chuan Zhou , Anfeng Cheng , Shirui Pan , Shuaiqiang Wang , Dawei Yin , Bin Wang

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

In recent years, graph neural networks (GNN) have achieved significant developments in a variety of graph analytical tasks. Nevertheless, GNN's superior performance will suffer from serious damage when the collected node features or…

Machine Learning · Computer Science 2023-09-07 Sichao Fu , Qinmu Peng , Yang He , Baokun Du , Xinge You

Graph neural networks (GNNs) have achieved remarkable empirical success in processing and representing graph-structured data across various domains. However, a significant challenge known as "oversmoothing" persists, where vertex features…

Machine Learning · Computer Science 2025-01-07 Ziang Chen , Zhengjiang Lin , Shi Chen , Yury Polyanskiy , Philippe Rigollet

Recent years, graph contrastive learning (GCL), which aims to learn representations from unlabeled graphs, has made great progress. However, the existing GCL methods mostly adopt human-designed graph augmentations, which are sensitive to…

Social and Information Networks · Computer Science 2023-06-30 Xiao Shen , Dewang Sun , Shirui Pan , Xi Zhou , Laurence T. Yang

Self-supervised learning of graph neural networks (GNN) is in great need because of the widespread label scarcity issue in real-world graph/network data. Graph contrastive learning (GCL), by training GNNs to maximize the correspondence…

Machine Learning · Computer Science 2021-11-04 Susheel Suresh , Pan Li , Cong Hao , Jennifer Neville

In recent years, Graph Neural Networks (GNNs) have shown superior performance on diverse applications on real-world datasets. To improve the model capacity and alleviate the over-smoothing problem, several methods proposed to incorporate…

Machine Learning · Computer Science 2021-12-28 Lanning Wei , Huan Zhao , Zhiqiang He
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