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Unsupervised pre-training was a critical technique for training deep neural networks years ago. With sufficient labeled data and modern training techniques, it is possible to train very deep neural networks from scratch in a purely…

计算机视觉与模式识别 · 计算机科学 2017-03-29 Jianfeng Dong , Xiao-Jiao Mao , Chunhua Shen , Yu-Bin Yang

Predicating macroscopic influences of drugs on human body, like efficacy and toxicity, is a central problem of small-molecule based drug discovery. Molecules can be represented as an undirected graph, and we can utilize graph convolution…

机器学习 · 计算机科学 2017-09-19 Junying Li , Deng Cai , Xiaofei He

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

机器学习 · 计算机科学 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Graph representation learning, involving both node features and graph structures, is crucial for real-world applications but often encounters pervasive noise. State-of-the-art methods typically address noise by focusing separately on node…

机器学习 · 计算机科学 2024-10-17 Guangxin Su , Yifan Zhu , Wenjie Zhang , Hanchen Wang , Ying Zhang

Graph Neural Networks (GNNs) for prediction tasks like node classification or edge prediction have received increasing attention in recent machine learning from graphically structured data. However, a large quantity of labeled graphs is…

机器学习 · 计算机科学 2021-11-22 Yuexin Wu , Yichong Xu , Aarti Singh , Yiming Yang , Artur Dubrawski

Graph neural networks (GNNs) have exhibited prominent performance in learning graph-structured data. Considering node classification task, based on the i.i.d assumption among node labels, the traditional supervised learning simply sums up…

机器学习 · 计算机科学 2024-05-28 Rui Miao , Kaixiong Zhou , Yili Wang , Ninghao Liu , Ying Wang , Xin Wang

Label Propagation (LPA) and Graph Convolutional Neural Networks (GCN) are both message passing algorithms on graphs. Both solve the task of node classification but LPA propagates node label information across the edges of the graph, while…

机器学习 · 计算机科学 2020-02-18 Hongwei Wang , Jure Leskovec

A feature learning task involves training models that are capable of inferring good representations (transformations of the original space) from input data alone. When working with limited or unlabelled data, and also when multiple visual…

计算机视觉与模式识别 · 计算机科学 2018-11-02 Gabriel B. Cavallari , Leonardo Sampaio Ferraz Ribeiro , Moacir Antonelli Ponti

Graph transformation that predicts graph transition from one mode to another is an important and common problem. Despite much progress in developing advanced graph transformation techniques in recent years, the fundamental assumption…

机器学习 · 计算机科学 2023-05-25 Shiyu Wang , Guangji Bai , Qingyang Zhu , Zhaohui Qin , Liang Zhao

Contrastive learning methods have attracted considerable attention due to their remarkable success in analyzing graph-structured data. Inspired by the success of contrastive learning, we propose a novel framework for contrastive…

机器学习 · 计算机科学 2023-06-21 Xiaojuan Zhang , Jun Fu , Shuang Li

Graph neural networks (GNNs) have achieved impressive impressions for graph-related tasks. However, most GNNs are primarily studied under the cases of signal domain with supervised training, which requires abundant task-specific labels and…

机器学习 · 计算机科学 2025-07-16 Jinhui Pang , Zixuan Wang , Jiliang Tang , Mingyan Xiao , Nan Yin

Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying…

机器学习 · 计算机科学 2023-12-21 Zhengyu Chen , Teng Xiao , Kun Kuang , Zheqi Lv , Min Zhang , Jinluan Yang , Chengqiang Lu , Hongxia Yang , Fei Wu

Over the past few years, graph neural networks (GNN) and label propagation-based methods have made significant progress in addressing node classification tasks on graphs. However, in addition to their reliance on elaborate architectures and…

机器学习 · 计算机科学 2021-10-18 Yangkun Wang , Jiarui Jin , Weinan Zhang , Yong Yu , Zheng Zhang , David Wipf

Graph Neural Networks (GNNs) are characterized by their capacity of processing graph-structured data. However, due to the sparsity of labels under semi-supervised learning, they have been found to exhibit biased performance on specific…

机器学习 · 计算机科学 2025-12-16 Yihan Zhang

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…

机器学习 · 计算机科学 2024-04-16 Tianhao Peng , Wenjun Wu , Haitao Yuan , Zhifeng Bao , Zhao Pengrui , Xin Yu , Xuetao Lin , Yu Liang , Yanjun Pu

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

机器学习 · 计算机科学 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Graph Neural Networks (GNNs) have garnered considerable interest due to their exceptional performance in a wide range of graph machine learning tasks. Nevertheless, the majority of GNN-based approaches have been examined using…

机器学习 · 计算机科学 2023-09-27 Jingyang Yuan , Xiao Luo , Yifang Qin , Zhengyang Mao , Wei Ju , Ming Zhang

Convolutional neural network (CNN)-based feature learning has become state of the art, since given sufficient training data, CNN can significantly outperform traditional methods for various classification tasks. However, feature learning…

机器学习 · 计算机科学 2019-12-10 Minxiang Ye , Vladimir Stankovic , Lina Stankovic , Gene Cheung

In this study, we propose the integration of competitive learning into convolutional neural networks (CNNs) to improve the representation learning and efficiency of fine-tuning. Conventional CNNs use back propagation learning, and it…

机器学习 · 计算机科学 2018-04-27 Takashi Shinozaki

Graph Neural Networks (GNNs) are prominent in handling sparse and unstructured data efficiently and effectively. Specifically, GNNs were shown to be highly effective for node classification tasks, where labelled information is available for…

机器学习 · 计算机科学 2022-12-01 Moshe Eliasof , Eldad Haber , Eran Treister