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Graph Contrastive Learning (GCL) has emerged as a powerful paradigm for training Graph Neural Networks (GNNs) in the absence of task-specific labels. However, its scalability on large-scale graphs is hindered by the intensive message…

Machine Learning · Computer Science 2025-11-12 Xiang Chen , Kun Yue , Wenjie Liu , Zhenyu Zhang , Liang Duan

Self-supervised learning (SSL) has been extensively explored in recent years. Particularly, generative SSL has seen emerging success in natural language processing and other AI fields, such as the wide adoption of BERT and GPT. Despite…

Machine Learning · Computer Science 2022-07-14 Zhenyu Hou , Xiao Liu , Yukuo Cen , Yuxiao Dong , Hongxia Yang , Chunjie Wang , Jie Tang

Graph neural networks are widely used to learn global representations of graphs, which are then used for regression or classification tasks. Typically, the graphs in such data sets are connected, i.e. each training sample consists of a…

Computational Engineering, Finance, and Science · Computer Science 2022-11-01 Chen Shao , Zhou Chen , Pascal Friederich

The rapid advancement in self-supervised representation learning has highlighted its potential to leverage unlabeled data for learning rich visual representations. However, the existing techniques, particularly those employing different…

Computer Vision and Pattern Recognition · Computer Science 2024-12-18 Sana Ayromlou , Vahid Reza Khazaie , Fereshteh Forghani , Arash Afkanpour

The quest for accurate prediction of drug molecule properties poses a fundamental challenge in the realm of Artificial Intelligence Drug Discovery (AIDD). An effective representation of drug molecules emerges as a pivotal component in this…

Machine Learning · Computer Science 2024-04-22 Zhuoyuan Wang , Jiacong Mi , Shan Lu , Jieyue He

Knowledge graph embedding models (KGEMs) have gained considerable traction in recent years. These models learn a vector representation of knowledge graph entities and relations, a.k.a. knowledge graph embeddings (KGEs). Learning versatile…

Artificial Intelligence · Computer Science 2023-10-20 Nicolas Hubert , Heiko Paulheim , Pierre Monnin , Armelle Brun , Davy Monticolo

We consider graph representation learning in a self-supervised manner. Graph neural networks (GNNs) use neighborhood aggregation as a core component that results in feature smoothing among nodes in proximity. While successful in various…

Machine Learning · Computer Science 2021-07-20 Wei Zhuo , Guang Tan

This paper studies learning the representations of whole graphs in both unsupervised and semi-supervised scenarios. Graph-level representations are critical in a variety of real-world applications such as predicting the properties of…

Machine Learning · Computer Science 2020-01-20 Fan-Yun Sun , Jordan Hoffmann , Vikas Verma , Jian Tang

Knowledge graph (KG) embedding seeks to learn vector representations for entities and relations. Conventional models reason over graph structures, but they suffer from the issues of graph incompleteness and long-tail entities. Recent…

Computation and Language · Computer Science 2022-09-16 Yang Liu , Zequn Sun , Guangyao Li , Wei Hu

In this paper we study the practicality and usefulness of incorporating distributed representations of graphs into models within the context of drug pair scoring. We argue that the real world growth and update cycles of drug pair scoring…

Machine Learning · Computer Science 2022-11-28 Paul Scherer , Pietro Liò , Mateja Jamnik

Electrocardiograms (ECGs) are among the most widely used diagnostic tools for cardiovascular diseases, and a large amount of ECG data worldwide appears only in image form. However, most existing automated ECG analysis methods rely on access…

Machine Learning · Computer Science 2026-04-03 Hung Manh Pham , Jialu Tang , Aaqib Saeed , Dong Ma , Bin Zhu , Pan Zhou

Advanced graph neural networks have shown great potentials in graph classification tasks recently. Different from node classification where node embeddings aggregated from local neighbors can be directly used to learn node labels, graph…

Machine Learning · Computer Science 2022-03-16 Hao Jia , Junzhong Ji , Minglong Lei

A prominent technique for self-supervised representation learning has been to contrast semantically similar and dissimilar pairs of samples. Without access to labels, dissimilar (negative) points are typically taken to be randomly sampled…

Machine Learning · Computer Science 2020-10-22 Ching-Yao Chuang , Joshua Robinson , Lin Yen-Chen , Antonio Torralba , Stefanie Jegelka

Electroencephalography (EEG) is an objective tool for emotion recognition with promising applications. However, the scarcity of labeled data remains a major challenge in this field, limiting the widespread use of EEG-based emotion…

Signal Processing · Electrical Eng. & Systems 2024-08-05 Weishan Ye , Zhiguo Zhang , Fei Teng , Min Zhang , Jianhong Wang , Dong Ni , Fali Li , Peng Xu , Zhen Liang

Knowledge graph (KG) embedding has been used to benefit the diagnosis of animal diseases by analyzing electronic medical records (EMRs), such as notes and veterinary records. However, learning representations to capture entities and…

Artificial Intelligence · Computer Science 2023-09-08 Van Thuy Hoang , Sang Thanh Nguyen , Sangmyeong Lee , Jooho Lee , Luong Vuong Nguyen , O-Joun Lee

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

Designing accurate deep learning models for molecular property prediction plays an increasingly essential role in drug and material discovery. Recently, due to the scarcity of labeled molecules, self-supervised learning methods for learning…

Biomolecules · Quantitative Biology 2022-06-08 Han Li , Dan Zhao , Jianyang Zeng

Deep learning (DL) models have now been widely used for high-performance material property prediction for properties such as formation energy and band gap. However, training such DL models usually requires a large amount of labeled data,…

Materials Science · Physics 2024-01-11 Nihang Fu , Lai Wei , Jianjun Hu

The embedding of Biomedical Knowledge Graphs (BKGs) generates robust representations, valuable for a variety of artificial intelligence applications, including predicting drug combinations and reasoning disease-drug relationships.…

Databases · Computer Science 2023-10-17 Zhiguang Fan , Yuedong Yang , Mingyuan Xu , Hongming Chen

Self-supervised learning is a machine learning approach that generates implicit labels by learning underlined patterns and extracting discriminative features from unlabeled data without manual labelling. Contrastive learning introduces the…

Computer Vision and Pattern Recognition · Computer Science 2025-10-13 Asifullah Khan , Laiba Asmatullah , Anza Malik , Shahzaib Khan , Hamna Asif
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