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Supervised machine learning algorithms, such as graph neural networks (GNN), have successfully predicted material properties. However, the superior performance of GNN usually relies on end-to-end learning on large material datasets, which…

Materials Science · Physics 2025-05-22 Jian-Gang Kong , Ke-Lin Zhao , Jian Li , Qing-Xu Li , Yu Liu , Rui Zhang , Jia-Ji Zhu , Kai Chang

Foundation models like ChatGPT and GPT-4 have revolutionized artificial intelligence, exhibiting remarkable abilities to generalize across a wide array of tasks and applications beyond their initial training objectives. However, graph…

Machine Learning · Computer Science 2025-01-22 Yufei He , Yuan Sui , Xiaoxin He , Bryan Hooi

Graph convolutional networks have made great progress in graph-based semi-supervised learning. Existing methods mainly assume that nodes connected by graph edges are prone to have similar attributes and labels, so that the features smoothed…

Machine Learning · Computer Science 2022-06-13 Yating Ren , Junzhong Ji , Lingfeng Niu , Minglong Lei

Recently, there has been great success in applying deep neural networks on graph structured data. Most work, however, focuses on either node- or graph-level supervised learning, such as node, link or graph classification or node-level…

Machine Learning · Computer Science 2021-12-15 Robin Winter , Frank Noé , Djork-Arné Clevert

Self-supervised learning (SSL) on graphs generates node and graph representations (i.e., embeddings) that can be used for downstream tasks such as node classification, node clustering, and link prediction. Graph SSL is particularly useful…

Machine Learning · Computer Science 2025-09-26 Jiali Chen , Avijit Mukherjee

In this paper, we propose a novel self-supervised representation learning by taking advantage of a neighborhood-relational encoding (NRE) among the training data. Conventional unsupervised learning methods only focused on training deep…

Computer Vision and Pattern Recognition · Computer Science 2019-08-29 Mohammad Sabokrou , Mohammad Khalooei , Ehsan Adeli

The rise of self-supervised learning, which operates without the need for labeled data, has garnered significant interest within the graph learning community. This enthusiasm has led to the development of numerous Graph Contrastive Learning…

Machine Learning · Computer Science 2024-02-27 Qian Ma , Hongliang Chi , Hengrui Zhang , Kay Liu , Zhiwei Zhang , Lu Cheng , Suhang Wang , Philip S. Yu , Yao Ma

A new approach to the study of Generalized Graphs as semantic data structures using machine learning techniques is presented. We show how vector representations maintaining semantic characteristics of the original data can be obtained from…

Artificial Intelligence · Computer Science 2017-09-11 Pedro Almagro-Blanco , Fernando Sancho-Caparrini

With the great success of deep learning in various domains, graph neural networks (GNNs) also become a dominant approach to graph classification. By the help of a global readout operation that simply aggregates all node (or node-cluster)…

Machine Learning · Computer Science 2021-11-24 Dongha Lee , Su Kim , Seonghyeon Lee , Chanyoung Park , Hwanjo Yu

Federated graph representation learning (FedGRL) brings the benefits of distributed training to graph structured data while simultaneously addressing some privacy and compliance concerns related to data curation. However, several…

Machine Learning · Computer Science 2022-10-28 Susheel Suresh , Danny Godbout , Arko Mukherjee , Mayank Shrivastava , Jennifer Neville , Pan Li

Unsupervised multiplex graph learning (UMGL) has been shown to achieve significant effectiveness for different downstream tasks by exploring both complementary information and consistent information among multiple graphs. However, previous…

Machine Learning · Computer Science 2023-08-04 Liang Peng , Xin Wang , Xiaofeng Zhu

Graph self-supervised learning can reduce the need for labeled graph data and has been widely used in recommendation, social networks, and other web applications. However, existing methods often underuse high-frequency signals and may…

Machine Learning · Computer Science 2026-04-20 Haojie Li , Mengjiao Zhang , Guanfeng Liu , Qiang Hu , Yan Wang , Junwei Du

The success of deep learning in computer vision is rooted in the ability of deep networks to scale up model complexity as demanded by challenging visual tasks. As complexity is increased, so is the need for large amounts of labeled data to…

Computer Vision and Pattern Recognition · Computer Science 2017-08-22 Gustav Larsson

Representing urban regions accurately and comprehensively is essential for various urban planning and analysis tasks. Recently, with the expansion of the city, modeling long-range spatial dependencies with multiple data sources plays an…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Weiliang Chen , Qianqian Ren , Jinbao Li

Semi-supervised learning (SSL) addresses the critical challenge of training accurate models when labeled data is scarce but unlabeled data is abundant. Graph-based SSL (GSSL) has emerged as a popular framework that captures data structure…

Machine Learning · Statistics 2026-02-10 Nadav Katz , Ariel Jaffe

Unsupervised/self-supervised pre-training methods for graph representation learning have recently attracted increasing research interests, and they are shown to be able to generalize to various downstream applications. Yet, the adversarial…

Machine Learning · Computer Science 2021-05-31 Jiarong Xu , Yang Yang , Junru Chen , Chunping Wang , Xin Jiang , Jiangang Lu , Yizhou Sun

Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…

Machine Learning · Computer Science 2025-05-28 Daniil A. Boiko , Thiago Reschützegger , Benjamin Sanchez-Lengeling , Samuel M. Blau , Gabe Gomes

Self-supervised learning has been widely used to obtain transferrable representations from unlabeled images. Especially, recent contrastive learning methods have shown impressive performances on downstream image classification tasks. While…

Computer Vision and Pattern Recognition · Computer Science 2021-04-29 Byungseok Roh , Wuhyun Shin , Ildoo Kim , Sungwoong Kim

To explore underlying complementary information from multiple views, in this paper, we propose a novel Latent Multi-view Semi-Supervised Classification (LMSSC) method. Unlike most existing multi-view semi-supervised classification methods…

Machine Learning · Computer Science 2019-09-10 Xiaofan Bo , Zhao Kang , Zhitong Zhao , Yuanzhang Su , Wenyu Chen

The integration of Large Language Models (LLMs) with Graph Representation Learning (GRL) marks a significant evolution in analyzing complex data structures. This collaboration harnesses the sophisticated linguistic capabilities of LLMs to…

Machine Learning · Computer Science 2024-02-12 Qiheng Mao , Zemin Liu , Chenghao Liu , Zhuo Li , Jianling Sun
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