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Accurate and efficient prediction of the molecular properties of drugs is one of the fundamental problems in drug research and development. Recent advancements in representation learning have been shown to greatly improve the performance of…

Biomolecules · Quantitative Biology 2022-06-17 Hui Liu , Yibiao Huang , Xuejun Liu , Lei Deng

We propose $\textbf{MGCL}$, a model-driven graph contrastive learning (GCL) framework that leverages graphons (probabilistic generative models for graphs) to guide contrastive learning by accounting for the data's underlying generative…

Machine Learning · Computer Science 2025-06-09 Ali Azizpour , Nicolas Zilberstein , Santiago Segarra

Graph contrastive learning (GCL) alleviates the heavy reliance on label information for graph representation learning (GRL) via self-supervised learning schemes. The core idea is to learn by maximising mutual information for similar…

Machine Learning · Computer Science 2022-10-18 Yizhen Zheng , Shirui Pan , Vincent Cs Lee , Yu Zheng , Philip S. Yu

Recent advancements in Graph Contrastive Learning (GCL) have demonstrated remarkable effectiveness in improving graph representations. However, relying on predefined augmentations (e.g., node dropping, edge perturbation, attribute masking)…

Machine Learning · Computer Science 2025-02-27 Khaled Mohammed Saifuddin , Shihao Ji , Esra Akbas

Graph representation learning (GRL) is critical for graph-structured data analysis. However, most of the existing graph neural networks (GNNs) heavily rely on labeling information, which is normally expensive to obtain in the real world.…

Machine Learning · Computer Science 2022-11-22 Yizhen Zheng , Ming Jin , Shirui Pan , Yuan-Fang Li , Hao Peng , Ming Li , Zhao Li

Self-supervised auto-encoders have emerged as a successful framework for representation learning in computer vision and natural language processing in recent years, However, their application to graph data has been met with limited…

Artificial Intelligence · Computer Science 2023-01-31 Chengyu Sun

Graph masked autoencoders (GMAE) have emerged as a significant advancement in self-supervised pre-training for graph-structured data. Previous GMAE models primarily utilize a straightforward random masking strategy for nodes or edges during…

Machine Learning · Computer Science 2024-04-25 Chuang Liu , Yuyao Wang , Yibing Zhan , Xueqi Ma , Dapeng Tao , Jia Wu , Wenbin Hu

Recent studies show that graph convolutional network (GCN) often performs worse for low-degree nodes, exhibiting the so-called structural unfairness for graphs with long-tailed degree distributions prevalent in the real world. Graph…

Machine Learning · Computer Science 2022-10-07 Ruijia Wang , Xiao Wang , Chuan Shi , Le Song

Graph contrastive learning (GCL) aims to align the positive features while differentiating the negative features in the latent space by minimizing a pair-wise contrastive loss. As the embodiment of an outstanding discriminative unsupervised…

Machine Learning · Computer Science 2023-12-27 Jiangmeng Li , Yifan Jin , Hang Gao , Wenwen Qiang , Changwen Zheng , Fuchun Sun

In recent years, numerous graph generative models (GGMs) have been proposed. However, evaluating these models remains a considerable challenge, primarily due to the difficulty in extracting meaningful graph features that accurately…

Machine Learning · Computer Science 2025-03-18 Chengen Wang , Murat Kantarcioglu

Graph contrastive learning (GCL) has emerged as a promising approach to enhance graph neural networks' (GNNs) ability to learn rich representations from unlabeled graph-structured data. However, current GCL models face challenges with…

Machine Learning · Computer Science 2025-03-11 Yujia Wu , Junyi Mo , Elynn Chen , Yuzhou Chen

Graph self-supervised learning seeks to learn effective graph representations without relying on labeled data. Among various approaches, graph autoencoders (GAEs) have gained significant attention for their efficiency and scalability.…

Machine Learning · Computer Science 2025-06-17 Yang Liu , Deyu Bo , Wenxuan Cao , Yuan Fang , Yawen Li , Chuan Shi

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…

Machine Learning · Computer Science 2021-07-07 Pengpeng Shao , Tong Liu , Dawei Zhang , Jianhua Tao , Feihu Che , Guohua Yang

Graph Contrastive Learning (GCL) establishes a new paradigm for learning graph representations without human annotations. Although remarkable progress has been witnessed recently, the success behind GCL is still left somewhat mysterious. In…

Machine Learning · Computer Science 2021-10-27 Yanqiao Zhu , Yichen Xu , Qiang Liu , Shu Wu

Graph contrastive learning (GCL) is a popular method for leaning graph representations by maximizing the consistency of features across augmented views. Traditional GCL methods utilize single-perspective i.e. data or model-perspective)…

Machine Learning · Computer Science 2024-06-04 Zelin Yao , Chuang Liu , Xueqi Ma , Mukun Chen , Jia Wu , Xiantao Cai , Bo Du , Wenbin Hu

Graph autoencoders (GAEs) are powerful tools in representation learning for graph embedding. However, the performance of GAEs is very dependent on the quality of the graph structure, i.e., of the adjacency matrix. In other words, GAEs would…

Machine Learning · Computer Science 2021-03-24 Rui Zhang , Yunxing Zhang , Xuelong Li

Graph contrastive learning (GCL) has recently achieved substantial advancements. Existing GCL approaches compare two different ``views'' of the same graph in order to learn node/graph representations. The underlying assumption of these…

Machine Learning · Computer Science 2024-01-18 Gehang Zhang , Bowen Yu , Jiangxia Cao , Xinghua Zhang , Jiawei Sheng , Chuan Zhou , Tingwen Liu

Graph matching has important applications in pattern recognition and beyond. Current approaches predominantly adopt supervised learning, demanding extensive labeled data which can be limited or costly. Meanwhile, self-supervised learning…

Machine Learning · Computer Science 2024-06-26 Jianyuan Bo , Yuan Fang

Graph contrastive learning (GCL) emerges as the most representative approach for graph representation learning, which leverages the principle of maximizing mutual information (InfoMax) to learn node representations applied in downstream…

Machine Learning · Computer Science 2022-11-22 Yige Yuan , Bingbing Xu , Huawei Shen , Qi Cao , Keting Cen , Wen Zheng , Xueqi Cheng

Heterogeneous Graphs (HGs) effectively model complex relationships in the real world through multi-type nodes and edges. In recent years, inspired by self-supervised learning (SSL), contrastive learning (CL)-based Heterogeneous Graphs…

Machine Learning · Computer Science 2025-05-06 Yu Wang , Lei Sang , Yi Zhang , Yiwen Zhang , Xindong Wu