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Related papers: Graph Contrastive Learning for Materials

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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

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

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) has recently drawn much research interest for learning generalizable node representations in a self-supervised manner. In general, the contrastive learning process in GCL is performed on top of the…

Machine Learning · Computer Science 2022-12-06 Kaize Ding , Yancheng Wang , Yingzhen Yang , Huan Liu

Graph Neural Networks (GNNs) are widely used in collaborative filtering to capture high-order user-item relationships. To address the data sparsity problem in recommendation systems, Graph Contrastive Learning (GCL) has emerged as a…

Information Retrieval · Computer Science 2025-07-11 Jinfeng Xu , Zheyu Chen , Shuo Yang , Jinze Li , Hewei Wang , Wei Wang , Xiping Hu , Edith Ngai

Most Neural Networks (NNs) for classification are trained using Cross-Entropy as a loss function. This approach requires the model to have an explicit classification layer. However, there exist alternative approaches, such as Contrastive…

Machine Learning · Computer Science 2026-04-27 Leonardo Arrighi , Julia Eva Belloni , Aurélie Gallet , Ivan Gentile , Matteo Lippi , Marco Zullich

Artificial intelligence (AI) is increasingly used for the inverse design of materials, such as crystals and molecules. Existing AI research on molecules has integrated chemical structures of molecules with textual knowledge to adapt to…

Computation and Language · Computer Science 2025-02-25 Yang Jeong Park , Mayank Kumaran , Chia-Wei Hsu , Elsa Olivetti , Ju Li

SimCLR is one of the most popular contrastive learning methods for vision tasks. It pre-trains deep neural networks based on a large amount of unlabeled data by teaching the model to distinguish between positive and negative pairs of…

Machine Learning · Computer Science 2024-09-30 Han Zhang , Yuan Cao

Graph Convolutional Network (GCN) has exhibited remarkable potential in improving graph-based clustering. To handle the general clustering scenario without a prior graph, these models estimate an initial graph beforehand to apply GCN.…

Machine Learning · Computer Science 2024-04-04 Mulin Chen , Bocheng Wang , Xuelong Li

Identifying unique characteristics in a network through comparison with another network is an essential network analysis task. For example, with networks of protein interactions obtained from normal and cancer tissues, we can discover…

Machine Learning · Computer Science 2022-02-16 Takanori Fujiwara , Jian Zhao , Francine Chen , Yaoliang Yu , Kwan-Liu Ma

Improving sample efficiency is a key research problem in reinforcement learning (RL), and CURL, which uses contrastive learning to extract high-level features from raw pixels of individual video frames, is an efficient…

Machine Learning · Computer Science 2020-10-16 Jinhua Zhu , Yingce Xia , Lijun Wu , Jiajun Deng , Wengang Zhou , Tao Qin , Houqiang Li

By treating users' interactions as a user-item graph, graph learning models have been widely deployed in Collaborative Filtering(CF) based recommendation. Recently, researchers have introduced Graph Contrastive Learning(GCL) techniques into…

Information Retrieval · Computer Science 2023-07-12 Yonghui Yang , Zhengwei Wu , Le Wu , Kun Zhang , Richang Hong , Zhiqiang Zhang , Jun Zhou , Meng Wang

The recent emergence of contrastive learning approaches facilitates the application on graph representation learning (GRL), introducing graph contrastive learning (GCL) into the literature. These methods contrast semantically similar and…

Machine Learning · Computer Science 2022-06-03 Ganqu Cui , Yufeng Du , Cheng Yang , Jie Zhou , Liang Xu , Xing Zhou , Xingyi Cheng , Zhiyuan Liu

Graph contrastive learning (GCL) learns node and graph representations by contrasting multiple views of the same graph. Existing methods typically rely on fixed, handcrafted views-usually a local and a global perspective, which limits their…

Machine Learning · Computer Science 2026-05-12 Yanan Zhao , Feng Ji , Jingyang Dai , Jiaze Ma , Keyue Jiang , Kai Zhao , Wee Peng Tay

We propose a framework for sequence-to-sequence contrastive learning (SeqCLR) of visual representations, which we apply to text recognition. To account for the sequence-to-sequence structure, each feature map is divided into different…

Computer Vision and Pattern Recognition · Computer Science 2020-12-22 Aviad Aberdam , Ron Litman , Shahar Tsiper , Oron Anschel , Ron Slossberg , Shai Mazor , R. Manmatha , Pietro Perona

Graph clustering is a crucial task in network analysis with widespread applications, focusing on partitioning nodes into distinct groups with stronger intra-group connections than inter-group ones. Recently, contrastive learning has…

Machine Learning · Computer Science 2024-08-20 Xunlian Wu , Jingqi Hu , Anqi Zhang , Yining Quan , Qiguang Miao , Peng Gang Sun

Graph Neural Networks (GNNs) are powerful tools for recommendation systems, but they often struggle under data sparsity and noise. To address these issues, we implemented LightGCL, a graph contrastive learning model that uses Singular Value…

Information Retrieval · Computer Science 2025-06-03 Aravinda Jatavallabha , Prabhanjan Bharadwaj , Ashish Chander

Machine learning (ML) has seen promising developments in materials science, yet its efficacy largely depends on detailed crystal structural data, which are often complex and hard to obtain, limiting their applicability in real-world…

Materials Science · Physics 2024-12-10 Namkyeong Lee , Heewoong Noh , Gyoung S. Na , Jimeng Sun , Tianfan Fu , Marinka Zitnik , Chanyoung Park

Recently, contrastive learning (CL) has emerged as a successful method for unsupervised graph representation learning. Most graph CL methods first perform stochastic augmentation on the input graph to obtain two graph views and maximize the…

Machine Learning · Computer Science 2021-03-01 Yanqiao Zhu , Yichen Xu , Feng Yu , Qiang Liu , Shu Wu , Liang Wang

Graphs serve as versatile data structures in numerous real-world domains-including social networks, molecular biology, and knowledge graphs-by capturing intricate relational information among entities. Among graph-based learning techniques,…

Machine Learning · Computer Science 2025-05-21 Chou-Ying Hsieh , Chun-Fu Jang , Cheng-En Hsieh , Qian-Hui Chen , Sy-Yen Kuo