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Machine learning techniques have recently been adopted in various applications in medicine, biology, chemistry, and material engineering. An important task is to predict the properties of molecules, which serves as the main subroutine in…

Machine Learning · Computer Science 2019-11-12 Shengchao Liu , Mehmet Furkan Demirel , Yingyu Liang

Graphs representation learning has been a very active research area in recent years. The goal of graph representation learning is to generate graph representation vectors that capture the structure and features of large graphs accurately.…

Machine Learning · Computer Science 2022-06-16 Shima Khoshraftar , Aijun An

Graph Neural Networks (GNNs) have been widely applied in the semi-supervised node classification task, where a key point lies in how to sufficiently leverage the limited but valuable label information. Most of the classical GNNs solely use…

Machine Learning · Computer Science 2022-12-26 Le Yu , Leilei Sun , Bowen Du , Tongyu Zhu , Weifeng Lv

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

In this paper, we study semi-supervised graph classification, which aims at accurately predicting the categories of graphs in scenarios with limited labeled graphs and abundant unlabeled graphs. Despite the promising capability of graph…

Machine Learning · Computer Science 2024-05-29 Wei Ju , Zhengyang Mao , Siyu Yi , Yifang Qin , Yiyang Gu , Zhiping Xiao , Yifan Wang , Xiao Luo , Ming Zhang

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Machine Learning · Computer Science 2021-05-04 Jing Huang , Jie Yang

This paper studies unsupervised/self-supervised whole-graph representation learning, which is critical in many tasks such as molecule properties prediction in drug and material discovery. Existing methods mainly focus on preserving the…

Machine Learning · Computer Science 2021-06-09 Minghao Xu , Hang Wang , Bingbing Ni , Hongyu Guo , Jian Tang

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering…

Machine Learning · Computer Science 2024-06-04 Zexi Liu , Bohan Tang , Ziyuan Ye , Xiaowen Dong , Siheng Chen , Yanfeng Wang

Unsupervised graph representation learning aims to distill various graph information into a downstream task-agnostic dense vector embedding. However, existing graph representation learning approaches are designed mainly under the node…

Machine Learning · Computer Science 2022-03-04 You Li , Bei Lin , Binli Luo , Ning Gui

Graph neural networks have emerged as a powerful tool for graph representation learning, but their performance heavily relies on abundant task-specific supervision. To reduce labeling requirement, the "pre-train, prompt" paradigms have…

Machine Learning · Computer Science 2024-08-27 Xingtong Yu , Zhenghao Liu , Yuan Fang , Zemin Liu , Sihong Chen , Xinming Zhang

Graphs are complex objects that do not lend themselves easily to typical learning tasks. Recently, a range of approaches based on graph kernels or graph neural networks have been developed for graph classification and for representation…

Machine Learning · Computer Science 2022-05-19 Chen Cai , Yusu Wang

In this paper, we present a graph-based semi-supervised framework for hyperspectral image classification. We first introduce a novel superpixel algorithm based on the spectral covariance matrix representation of pixels to provide a better…

Computer Vision and Pattern Recognition · Computer Science 2019-05-16 Philip Sellars , Angelica Aviles-Rivero , Nicolas Papadakis , David Coomes , Anita Faul , Carola-Bibane Schönlieb

We present Deep Graph Infomax (DGI), a general approach for learning node representations within graph-structured data in an unsupervised manner. DGI relies on maximizing mutual information between patch representations and corresponding…

Machine Learning · Statistics 2018-12-24 Petar Veličković , William Fedus , William L. Hamilton , Pietro Liò , Yoshua Bengio , R Devon Hjelm

Recent papers in the graph machine learning literature have introduced a number of approaches for hyperbolic representation learning. The asserted benefits are improved performance on a variety of graph tasks, node classification and link…

Machine Learning · Computer Science 2025-02-26 Isay Katsman , Anna Gilbert

Recently, graph neural networks have been widely used for network embedding because of their prominent performance in pairwise relationship learning. In the real world, a more natural and common situation is the coexistence of pairwise…

Social and Information Networks · Computer Science 2021-01-19 Xiangguo Sun , Hongzhi Yin , Bo Liu , Hongxu Chen , Jiuxin Cao , Yingxia Shao , Nguyen Quoc Viet Hung

Graph neural networks have shown superior performance in a wide range of applications providing a powerful representation of graph-structured data. Recent works show that the representation can be further improved by auxiliary tasks.…

Machine Learning · Computer Science 2021-02-09 Dasol Hwang , Jinyoung Park , Sunyoung Kwon , Kyung-Min Kim , Jung-Woo Ha , Hyunwoo J. Kim

Due to the superior performance of Graph Neural Networks (GNNs) in various domains, there is an increasing interest in the GNN explanation problem "\emph{which fraction of the input graph is the most crucial to decide the model's…

Machine Learning · Computer Science 2022-07-04 Qinghua Zheng , Jihong Wang , Minnan Luo , Yaoliang Yu , Jundong Li , Lina Yao , Xiaojun Chang

With the rapid increase of compound databases available in medicinal and material science, there is a growing need for learning representations of molecules in a semi-supervised manner. In this paper, we propose an unsupervised hierarchical…

Machine Learning · Statistics 2017-11-30 Hai Nguyen , Shin-ichi Maeda , Kenta Oono

Machine learning on graph structured data has attracted much research interest due to its ubiquity in real world data. However, how to efficiently represent graph data in a general way is still an open problem. Traditional methods use…

Machine Learning · Computer Science 2019-11-14 Jiaqi Ma , Qiaozhu Mei

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