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Graph neural network (GNN) is effective to model graphs for distributed representations of nodes and an entire graph. Recently, research on the expressive power of GNN attracted growing attention. A highly-expressive GNN has the ability to…

Machine Learning · Computer Science 2022-03-01 Chengsheng Mao , Yuan Luo

Geometric deep learning provides a principled and versatile manner for the integration of imaging and non-imaging modalities in the medical domain. Graph Convolutional Networks (GCNs) in particular have been explored on a wide variety of…

Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In…

Quantitative Methods · Quantitative Biology 2021-10-19 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Chee-Kong Lee

We note that most existing approaches for molecular graph generation fail to guarantee the intrinsic property of permutation invariance, resulting in unexpected bias in generative models. In this work, we propose GraphEBM to generate…

Machine Learning · Computer Science 2021-04-13 Meng Liu , Keqiang Yan , Bora Oztekin , Shuiwang Ji

Following the success of deep convolutional networks in various vision and speech related tasks, researchers have started investigating generalizations of the well-known technique for graph-structured data. A recently-proposed method called…

Social and Information Networks · Computer Science 2018-09-21 John Boaz Lee , Ryan A. Rossi , Xiangnan Kong , Sungchul Kim , Eunyee Koh , Anup Rao

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…

Image and Video Processing · Electrical Eng. & Systems 2019-05-16 Sheng Wan , Chen Gong , Ping Zhong , Bo Du , Lefei Zhang , Jian Yang

We propose GraphNVP, the first invertible, normalizing flow-based molecular graph generation model. We decompose the generation of a graph into two steps: generation of (i) an adjacency tensor and (ii) node attributes. This decomposition…

Machine Learning · Statistics 2019-05-29 Kaushalya Madhawa , Katushiko Ishiguro , Kosuke Nakago , Motoki Abe

Recent studies often exploit Graph Convolutional Network (GCN) to model label dependencies to improve recognition accuracy for multi-label image recognition. However, constructing a graph by counting the label co-occurrence possibilities of…

Computer Vision and Pattern Recognition · Computer Science 2020-12-08 Jin Ye , Junjun He , Xiaojiang Peng , Wenhao Wu , Yu Qiao

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of…

Machine Learning · Computer Science 2021-01-29 Meiqi Zhu , Xiao Wang , Chuan Shi , Houye Ji , Peng Cui

Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

Graph convolutional networks (GCNs) have been successfully applied in node classification tasks of network mining. However, most of these models based on neighborhood aggregation are usually shallow and lack the "graph pooling" mechanism,…

Social and Information Networks · Computer Science 2019-06-11 Fenyu Hu , Yanqiao Zhu , Shu Wu , Liang Wang , Tieniu Tan

Recently, Graph Convolutional Networks (GCNs) have proven to be a powerful machine learning tool for Computer-Aided Diagnosis (CADx) and disease prediction. A key component in these models is to build a population graph, where the graph…

Machine Learning · Computer Science 2022-05-16 Luca Cosmo , Anees Kazi , Seyed-Ahmad Ahmadi , Nassir Navab , Michael Bronstein

Graph neural networks (GNNs) have been attracting increasing popularity due to their simplicity and effectiveness in a variety of fields. However, a large number of labeled data is generally required to train these networks, which could be…

Machine Learning · Computer Science 2020-10-26 Shengding Hu , Zheng Xiong , Meng Qu , Xingdi Yuan , Marc-Alexandre Côté , Zhiyuan Liu , Jian Tang

Due to the nature of deep learning approaches, it is inherently difficult to understand which aspects of a molecular graph drive the predictions of the network. As a mitigation strategy, we constrain certain weights in a multi-task graph…

Machine Learning · Computer Science 2020-11-25 Ryan Henderson , Djork-Arné Clevert , Floriane Montanari

Graph convolutional networks (GCNs) have recently achieved great empirical success in learning graph-structured data. To address its scalability issue due to the recursive embedding of neighboring features, graph topology sampling has been…

Machine Learning · Computer Science 2023-12-12 Hongkang Li , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

Aiming at the limitations of traditional medical decision system in processing large-scale heterogeneous medical data and realizing highly personalized recommendation, this paper introduces a personalized medical decision algorithm…

Machine Learning · Computer Science 2024-05-29 Yafeng Yan , Shuyao He , Zhou Yu , Jiajie Yuan , Ziang Liu , Yan Chen

In many real-world network datasets such as co-authorship, co-citation, email communication, etc., relationships are complex and go beyond pairwise. Hypergraphs provide a flexible and natural modeling tool to model such complex…

Machine Learning · Computer Science 2019-05-23 Naganand Yadati , Madhav Nimishakavi , Prateek Yadav , Vikram Nitin , Anand Louis , Partha Talukdar

Graph Convolutional Networks (GCNs) are powerful models for node representation learning tasks. However, the node representation in existing GCN models is usually generated by performing recursive neighborhood aggregation across multiple…

Machine Learning · Computer Science 2021-05-11 Hao Chen , Zengde Deng , Yue Xu , Zhoujun Li

Devising and analyzing learning models for spatiotemporal network data is of importance for tasks including forecasting, anomaly detection, and multi-agent coordination, among others. Graph Convolutional Neural Networks (GCNNs) are an…

Machine Learning · Computer Science 2022-07-01 Mohammad Sabbaqi , Elvin Isufi

Graph Convolutional Networks (GCNs) have been widely applied in various fields due to their significant power on processing graph-structured data. Typical GCN and its variants work under a homophily assumption (i.e., nodes with same class…

Machine Learning · Computer Science 2021-12-28 Tao Wang , Rui Wang , Di Jin , Dongxiao He , Yuxiao Huang