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Graph Neural Networks have shown excellent performance on semi-supervised classification tasks. However, they assume access to a graph that may not be often available in practice. In the absence of any graph, constructing k-Nearest Neighbor…

机器学习 · 计算机科学 2021-02-23 Vijay Lingam , Arun Iyer , Rahul Ragesh

Graph neural networks (GNNs) have attracted much attention because of their excellent performance on tasks such as node classification. However, there is inadequate understanding on how and why GNNs work, especially for node representation…

机器学习 · 计算机科学 2020-06-09 Guoji Fu , Yifan Hou , Jian Zhang , Kaili Ma , Barakeel Fanseu Kamhoua , James Cheng

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

计算物理 · 物理学 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko

Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

机器学习 · 计算机科学 2022-05-10 Tianlong Chen , Kaixiong Zhou , Keyu Duan , Wenqing Zheng , Peihao Wang , Xia Hu , Zhangyang Wang

Learning graph convolutional networks (GCNs) is an emerging field which aims at generalizing convolutional operations to arbitrary non-regular domains. In particular, GCNs operating on spatial domains show superior performances compared to…

计算机视觉与模式识别 · 计算机科学 2021-12-08 Hichem Sahbi

Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using…

机器学习 · 计算机科学 2023-09-20 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Graph neural networks (GNN) extends deep learning to graph-structure dataset. Similar to Convolutional Neural Networks (CNN) using on image prediction, convolutional and pooling layers are the foundation to success for GNN on graph…

机器学习 · 计算机科学 2023-02-28 Lingjie Kong , Yun Liao

Graph neural networks (GNNs) have demonstrated great success in representation learning for graph-structured data. The layer-wise graph convolution in GNNs is shown to be powerful at capturing graph topology. During this process, GNNs are…

机器学习 · 计算机科学 2021-12-10 Mingxuan Ju , Shifu Hou , Yujie Fan , Jianan Zhao , Liang Zhao , Yanfang Ye

In this paper, we study the robustness of graph convolutional networks (GCNs). Despite the good performance of GCNs on graph semi-supervised learning tasks, previous works have shown that the original GCNs are very unstable to adversarial…

机器学习 · 计算机科学 2019-11-12 Xiaoyun Wang , Xuanqing Liu , Cho-Jui Hsieh

Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph…

机器学习 · 计算机科学 2019-02-26 Jiaxuan You , Bowen Liu , Rex Ying , Vijay Pande , Jure Leskovec

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved,…

机器学习 · 计算机科学 2022-05-20 Max Wasserman , Saurabh Sihag , Gonzalo Mateos , Alejandro Ribeiro

Variants of Graph Neural Networks (GNNs) for representation learning have been proposed recently and achieved fruitful results in various fields. Among them, Graph Attention Network (GAT) first employs a self-attention strategy to learn…

机器学习 · 计算机科学 2021-07-28 Heng Chang , Yu Rong , Tingyang Xu , Wenbing Huang , Somayeh Sojoudi , Junzhou Huang , Wenwu Zhu

Given a signed bipartite graph (SBG) G with two disjoint node sets U and V, the goal of link sign prediction is to predict the signs of potential links connecting U and V based on known positive and negative edges in G. The majority of…

机器学习 · 计算机科学 2025-08-28 Hewen Wang , Renchi Yang , Xiaokui Xiao

Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize the model from few samples, GNN usually…

机器学习 · 计算机科学 2020-10-05 Hao Cheng , Joey Tianyi Zhou , Wee Peng Tay , Bihan Wen

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

机器学习 · 计算机科学 2022-10-17 Yili Shen , Xiao Liu , Cheng-Wei Ju , Jiaxu Yan , Jun Yi , Zhou Lin , Hui Guan

Graph Neural Networks (GNNs) have been extensively used for mining graph-structured data with impressive performance. However, because these traditional GNNs do not distinguish among various downstream tasks, embeddings embedded by them are…

机器学习 · 计算机科学 2024-09-20 Jianpeng Chen , Yujing Wang , Ming Zeng , Zongyi Xiang , Bitan Hou , Yunhai Tong , Ole J. Mengshoel , Yazhou Ren

Convolutional Neural Network (CNN) has demonstrated impressive ability to represent hyperspectral images and to achieve promising results in hyperspectral image classification. However, traditional CNN models can only operate convolution on…

图像与视频处理 · 电气工程与系统科学 2019-05-16 Sheng Wan , Chen Gong , Ping Zhong , Bo Du , Lefei Zhang , Jian Yang

Graph Convolutional Networks (GCNs) have proven to be successful tools for semi-supervised learning on graph-based datasets. For sparse graphs, linear and polynomial filter functions have yielded impressive results. For large non-sparse…

机器学习 · 计算机科学 2019-05-27 Dominik Alfke , Martin Stoll

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

机器学习 · 计算机科学 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Graph Convolutional Network (GCN) has experienced great success in graph analysis tasks. It works by smoothing the node features across the graph. The current GCN models overwhelmingly assume that the node feature information is complete.…

机器学习 · 计算机科学 2020-12-08 Hibiki Taguchi , Xin Liu , Tsuyoshi Murata