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Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the…

Machine Learning · Computer Science 2020-07-03 Tomasz Danel , Przemysław Spurek , Jacek Tabor , Marek Śmieja , Łukasz Struski , Agnieszka Słowik , Łukasz Maziarka

Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in…

Biomolecules · Quantitative Biology 2026-05-28 Dan Kalifa , Uriel Singer , Kira Radinsky

Towards developing effective and efficient brain-computer interface (BCI) systems, precise decoding of brain activity measured by electroencephalogram (EEG), is highly demanded. Traditional works classify EEG signals without considering the…

Signal Processing · Electrical Eng. & Systems 2022-09-19 Yimin Hou , Shuyue Jia , Xiangmin Lun , Ziqian Hao , Yan Shi , Yang Li , Rui Zeng , Jinglei Lv

Skeleton-based human action recognition has attracted much attention with the prevalence of accessible depth sensors. Recently, graph convolutional networks (GCNs) have been widely used for this task due to their powerful capability to…

Computer Vision and Pattern Recognition · Computer Science 2021-08-23 Zhen Huang , Xu Shen , Xinmei Tian , Houqiang Li , Jianqiang Huang , Xian-Sheng Hua

Predicting the binding sites of target proteins plays a fundamental role in drug discovery. Most existing deep-learning methods consider a protein as a 3D image by spatially clustering its atoms into voxels and then feed the voxelized…

Biomolecules · Quantitative Biology 2024-07-24 Yang Zhang , Zhewei Wei , Ye Yuan , Chongxuan Li , Wenbing Huang

Computational approaches to drug discovery can reduce the time and cost associated with experimental assays and enable the screening of novel chemotypes. Structure-based drug design methods rely on scoring functions to rank and predict…

Machine Learning · Statistics 2020-10-19 Matthew Ragoza , Joshua Hochuli , Elisa Idrobo , Jocelyn Sunseri , David Ryan Koes

The mining and exploitation of graph structural information have been the focal points in the study of complex networks. Traditional structural measures in Network Science focus on the analysis and modelling of complex networks from the…

Social and Information Networks · Computer Science 2023-06-21 Mingshan Jia , Bogdan Gabrys , Katarzyna Musial

Human action recognition from skeleton data, fueled by the Graph Convolutional Network (GCN), has attracted lots of attention, due to its powerful capability of modeling non-Euclidean structure data. However, many existing GCN methods…

Computer Vision and Pattern Recognition · Computer Science 2019-11-12 Wei Peng , Xiaopeng Hong , Haoyu Chen , Guoying Zhao

Graph Convolutional Networks (GCNs) have received increasing attention in the machine learning community for effectively leveraging both the content features of nodes and the linkage patterns across graphs in various applications. As…

Machine Learning · Computer Science 2021-01-01 Donghan Yu , Ruohong Zhang , Zhengbao Jiang , Yuexin Wu , Yiming Yang

Graph Convolutional Networks (GCNs) have gained great popularity in tackling various analytics tasks on graph and network data. However, some recent studies raise concerns about whether GCNs can optimally integrate node features and…

Machine Learning · Computer Science 2020-07-14 Xiao Wang , Meiqi Zhu , Deyu Bo , Peng Cui , Chuan Shi , Jian Pei

Graph convolutional network (GCN) based approaches have achieved significant progress for solving complex, graph-structured problems. GCNs incorporate the graph structure information and the node (or edge) features through message passing…

Machine Learning · Computer Science 2021-05-04 Saurav Manchanda , Da Zheng , George Karypis

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

We focus on graph-to-sequence learning, which can be framed as transducing graph structures to sequences for text generation. To capture structural information associated with graphs, we investigate the problem of encoding graphs using…

Computation and Language · Computer Science 2019-09-10 Zhijiang Guo , Yan Zhang , Zhiyang Teng , Wei Lu

Biomedical interaction networks have incredible potential to be useful in the prediction of biologically meaningful interactions, identification of network biomarkers of disease, and the discovery of putative drug targets. Recently, graph…

Machine Learning · Computer Science 2021-03-29 Kishan KC , Rui Li , Feng Cui , Anne Haake

Graph Convolutional Networks (GCNs) have shown very powerful for graph data representation and learning tasks. Existing GCNs usually conduct feature aggregation on a fixed neighborhood graph in which each node computes its representation by…

Computer Vision and Pattern Recognition · Computer Science 2019-11-21 Bo Jiang , Beibei Wang , Jin Tang , Bin Luo

Compared to sequential learning models, graph-based neural networks exhibit excellent ability in capturing global information and have been used for semi-supervised learning tasks. Most Graph Convolutional Networks are designed with the…

Computation and Language · Computer Science 2022-04-12 Kunze Wang , Soyeon Caren Han , Siqu Long , Josiah Poon

The network embedding problem that maps nodes in a graph to vectors in Euclidean space can be very useful for addressing several important tasks on a graph. Recently, graph neural networks (GNNs) have been proposed for solving such a…

Machine Learning · Computer Science 2020-09-23 Ping-En Lu , Cheng-Shang Chang

Knowledge graphs often suffer from incompleteness issues, which can be alleviated through information completion. However, current state-of-the-art deep knowledge convolutional embedding models rely on external convolution kernels and…

Computation and Language · Computer Science 2025-06-13 Wenbin Guo , Zhao Li , Xin Wang , Zirui Chen , Jun Zhao , Jianxin Li , Ye Yuan

Graph Convolutional Networks (GCNs) is the state-of-the-art method for learning graph-structured data, and training large-scale GCNs requires distributed training across multiple accelerators such that each accelerator is able to hold a…

Machine Learning · Computer Science 2022-03-22 Cheng Wan , Youjie Li , Cameron R. Wolfe , Anastasios Kyrillidis , Nam Sung Kim , Yingyan Lin

Graph structural information such as topologies or connectivities provides valuable guidance for graph convolutional networks (GCNs) to learn nodes' representations. Existing GCN models that capture nodes' structural information weight in-…

Machine Learning · Computer Science 2021-07-22 Yunxiang Zhao , Jianzhong Qi , Qingwei Liu , Rui Zhang