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Proteins are miniature machines whose function depends on their three-dimensional (3D) structure. Determining this structure computationally remains an unsolved grand challenge. A major bottleneck involves selecting the most accurate…

Quantitative Methods · Quantitative Biology 2020-11-30 Stephan Eismann , Patricia Suriana , Bowen Jing , Raphael J. L. Townshend , Ron O. Dror

Message passing is a core mechanism in Graph Neural Networks (GNNs), enabling the iterative update of node embeddings by aggregating information from neighboring nodes. Graph Convolutional Networks (GCNs) exemplify this approach by adapting…

Machine Learning · Computer Science 2026-03-26 Mayssa Soussia , Gita Ayu Salsabila , Mohamed Ali Mahjoub , Islem Rekik

Graph convolutional networks (GCNs) are a widely used method for graph representation learning. We investigate the power of GCNs, as a function of their number of layers, to distinguish between different random graph models on the basis of…

Machine Learning · Statistics 2020-02-14 Abram Magner , Mayank Baranwal , Alfred O. Hero

By folding into particular 3D structures, proteins play a key role in living beings. To learn meaningful representation from a protein structure for downstream tasks, not only the global backbone topology but the local fine-grained…

Biomolecules · Quantitative Biology 2025-02-05 Jiahan Li , Shitong Luo , Congyue Deng , Chaoran Cheng , Jiaqi Guan , Leonidas Guibas , Jian Peng , Jianzhu Ma

Multi-label node classification is an important yet under-explored domain in graph mining as many real-world nodes belong to multiple categories rather than just a single one. Although a few efforts have been made by utilizing Graph…

Machine Learning · Computer Science 2025-06-18 Yuanchen Bei , Weizhi Chen , Hao Chen , Sheng Zhou , Carl Yang , Jiapei Fan , Longtao Huang , Jiajun Bu

Click Through Rate (CTR) prediction plays an essential role in recommender systems and online advertising. It is crucial to effectively model feature interactions to improve the prediction performance of CTR models. However, existing…

Information Retrieval · Computer Science 2023-11-09 Fangye Wang , Hansu Gu , Dongsheng Li , Tun Lu , Peng Zhang , Ning Gu

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Early detection of cancer plays a key role in improving survival rates, but identifying reliable biomarkers from RNA-seq data is still a major challenge. The data are high-dimensional, and conventional statistical methods often fail to…

Machine Learning · Computer Science 2025-12-09 Shreyas Shende , Varsha Narayanan , Vishal Fenn , Yiran Huang , Dincer Goksuluk , Gaurav Choudhary , Melih Agraz , Mengjia Xu

The performance limit of Graph Convolutional Networks (GCNs) and the fact that we cannot stack more of them to increase the performance, which we usually do for other deep learning paradigms, are pervasively thought to be caused by the…

Machine Learning · Computer Science 2023-11-07 Sitao Luan , Mingde Zhao , Xiao-Wen Chang , Doina Precup

Seizure detection from EEGs is a challenging and time consuming clinical problem that would benefit from the development of automated algorithms. EEGs can be viewed as structural time series, because they are multivariate time series where…

Machine Learning · Computer Science 2019-05-07 Ian Covert , Balu Krishnan , Imad Najm , Jiening Zhan , Matthew Shore , John Hixson , Ming Jack Po

Graph Convolutional Network (GCN) is an emerging technique for information retrieval (IR) applications. While GCN assumes the homophily property of a graph, real-world graphs are never perfect: the local structure of a node may contain…

Machine Learning · Computer Science 2021-06-08 Fuli Feng , Weiran Huang , Xiangnan He , Xin Xin , Qifan Wang , Tat-Seng Chua

Graph convolutional neural networks (GCNN) have numerous applications in different graph based learning tasks. Although the techniques obtain impressive results, they often fall short in accounting for the uncertainty associated with the…

Machine Learning · Computer Science 2019-11-13 Soumyasundar Pal , Florence Regol , Mark Coates

The structure of proteins is the basis for studying protein function and drug design. The emergence of AlphaFold 2 has greatly promoted the prediction of protein 3D structures, and it is of great significance to give an overall and accurate…

Biomolecules · Quantitative Biology 2024-07-02 Wenda Wang , Jiaqi Zhai , He Huang , Xinqi Gong

Graph Convolutional Networks (GCN) which typically follows a neural message passing framework to model dependencies among skeletal joints has achieved high success in skeleton-based human motion prediction task. Nevertheless, how to…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 Xinshun Wang , Wanying Zhang , Can Wang , Yuan Gao , Mengyuan Liu

Graph Convolutional Networks (GCNs) are state-of-the-art graph based representation learning models by iteratively stacking multiple layers of convolution aggregation operations and non-linear activation operations. Recently, in…

Information Retrieval · Computer Science 2020-01-29 Lei Chen , Le Wu , Richang Hong , Kun Zhang , Meng Wang

Recent works attempt to extend Graph Convolution Networks (GCNs) to point clouds for classification and segmentation tasks. These works tend to sample and group points to create smaller point sets locally and mainly focus on extracting…

Computer Vision and Pattern Recognition · Computer Science 2024-01-23 Jincen Jiang , Lizhi Zhao , Xuequan Lu , Wei Hu , Imran Razzak , Meili Wang

Graph Convolutional Networks (GCNs) have emerged as the state-of-the-art graph learning model. However, it can be notoriously challenging to inference GCNs over large graph datasets, limiting their application to large real-world graphs and…

Hardware Architecture · Computer Science 2025-03-11 Haoran You , Tong Geng , Yongan Zhang , Ang Li , Yingyan Celine Lin

Graph convolutional networks (GCNs) aim at extending deep learning to arbitrary irregular domains, namely graphs. Their success is highly dependent on how the topology of input graphs is defined and most of the existing GCN architectures…

Computer Vision and Pattern Recognition · Computer Science 2021-12-28 Hichem Sahbi

The creation of social ties is largely determined by the entangled effects of people's similarities in terms of individual characters and friends. However, feature and structural characters of people usually appear to be correlated, making…

Machine Learning · Computer Science 2019-10-30 Sébastien Lerique , Jacob Levy Abitbol , Márton Karsai

One essential problem in skeleton-based action recognition is how to extract discriminative features over all skeleton joints. However, the complexity of the State-Of-The-Art (SOTA) models of this task tends to be exceedingly sophisticated…

Computer Vision and Pattern Recognition · Computer Science 2020-10-21 Yi-Fan Song , Zhang Zhang , Caifeng Shan , Liang Wang
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