English
Related papers

Related papers: GeomGCL: Geometric Graph Contrastive Learning for …

200 papers

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) is a powerful self-supervised learning framework that performs data augmentation through graph perturbations, with growing applications in the analysis of biological networks such as Gene Regulatory Networks…

Machine Learning · Computer Science 2026-02-20 Sho Oshima , Yuji Okamoto , Taisei Tosaki , Ryosuke Kojima

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

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

Graph contrastive learning (GCL) is an effective paradigm for node representation learning in graphs. The key components hidden behind GCL are data augmentation and positive-negative pair selection. Typical data augmentations in GCL, such…

Machine Learning · Computer Science 2024-07-25 Jiaqiang Zhang , Songcan Chen

Graph neural network(GNN) has been a powerful approach in collaborative filtering(CF) due to its ability to model high-order user-item relationships. Recently, to alleviate the data sparsity and enhance representation learning, many efforts…

Information Retrieval · Computer Science 2024-12-10 Bowen Zheng , Junjie Zhang , Hongyu Lu , Yu Chen , Ming Chen , Wayne Xin Zhao , Ji-Rong Wen

The graph contrastive learning (GCL) framework has gained remarkable achievements in graph representation learning. However, similar to graph neural networks (GNNs), GCL models are susceptible to graph structural attacks. As an unsupervised…

Machine Learning · Computer Science 2025-08-25 Yulin Zhu , Xing Ai , Yevgeniy Vorobeychik , Kai Zhou

Contrastive Learning (CL) has recently emerged as a powerful technique in recommendation systems, particularly for its capability to harness self-supervised signals from perturbed views to mitigate the persistent challenge of data sparsity.…

Information Retrieval · Computer Science 2025-04-08 Zheyu Chen , Jinfeng Xu , Yutong Wei , Ziyue Peng

The field of geometric deep learning has had a profound impact on the development of innovative and powerful graph neural network architectures. Disciplines such as computer vision and computational biology have benefited significantly from…

Machine Learning · Computer Science 2023-04-28 Alex Morehead , Jianlin Cheng

Geometric deep learning (GDL) has demonstrated huge power and enormous potential in molecular data analysis. However, a great challenge still remains for highly efficient molecular representations. Currently, covalent-bond-based molecular…

Computational Physics · Physics 2023-06-28 Cong Shen , Jiawei Luo , Kelin Xia

Among different existing graph self-supervised learning strategies, graph contrastive learning (GCL) has been one of the most prevalent approaches to this problem. Despite the remarkable performance those GCL methods have achieved, existing…

Machine Learning · Computer Science 2022-10-27 Qianlong Wen , Zhongyu Ouyang , Chunhui Zhang , Yiyue Qian , Yanfang Ye , Chuxu Zhang

Graph contrastive learning (GCL) aims to learn discriminative semantic invariance by contrasting different views of the same graph that share critical topological patterns. However, existing GCL approaches with structural augmentations…

Machine Learning · Computer Science 2025-12-03 Qirui Ji , Bin Qin , Yifan Jin , Yunze Zhao , Chuxiong Sun , Changwen Zheng , Jianwen Cao , Jiangmeng Li

The superiority of graph contrastive learning (GCL) has prompted its application to anomaly detection tasks for more powerful risk warning systems. Unfortunately, existing GCL-based models tend to excessively prioritize overall detection…

Machine Learning · Computer Science 2025-07-22 Yiming Xu , Zhen Peng , Bin Shi , Xu Hua , Bo Dong , Song Wang , Chen Chen

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

Graph contrastive learning (GCL) aligns node representations by classifying node pairs into positives and negatives using a selection process that typically relies on establishing correspondences within two augmented graphs. The…

Machine Learning · Computer Science 2024-11-27 Maysam Behmanesh , Maks Ovsjanikov

Graph Neural Networks (GNNs) are sensitive to structural noise from adversarial attacks or imperfections. Existing graph contrastive learning (GCL) methods typically rely on either random perturbations (e.g., edge dropping) for diversity or…

Machine Learning · Computer Science 2026-02-04 Hao Deng , Zhang Guo , Shuiping Gou , Bo Liu

Graph neural networks (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements…

Machine Learning · Computer Science 2021-10-14 Dhananjay Bhaskar , Jackson D. Grady , Michael A. Perlmutter , Smita Krishnaswamy

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling…

Chemical Physics · Physics 2022-01-03 Kenneth Atz , Francesca Grisoni , Gisbert Schneider

Graph Contrastive Learning (GCL) has emerged as a promising approach in the realm of graph self-supervised learning. Prevailing GCL methods mainly derive from the principles of contrastive learning in the field of computer vision: modeling…

Machine Learning · Computer Science 2023-08-03 Zhiyuan Ning , Pengfei Wang , Pengyang Wang , Ziyue Qiao , Wei Fan , Denghui Zhang , Yi Du , Yuanchun Zhou

The crux of molecular property prediction is to generate meaningful representations of the molecules. One promising route is to exploit the molecular graph structure through Graph Neural Networks (GNNs). It is well known that both atoms and…

Quantitative Methods · Quantitative Biology 2020-06-15 Hehuan Ma , Yatao Bian , Yu Rong , Wenbing Huang , Tingyang Xu , Weiyang Xie , Geyan Ye , Junzhou Huang