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Coarse-grained (CG) molecular dynamics (MD) simulations can simulate large molecular complexes over extended timescales by reducing degrees of freedom. A critical step in CG modeling is the selection of the CG mapping algorithm, which…

软凝聚态物质 · 物理学 2025-07-23 Soumya Mondal , Subhanu Halder , Debarchan Basu , Sandeep Kumar , Tarak Karmakar

Community detection has long been an important yet challenging task to analyze complex networks with a focus on detecting topological structures of graph data. Essentially, real-world graph data contains various features, node and edge…

机器学习 · 计算机科学 2020-03-16 Yaping Zheng , Shiyi Chen , Xinni Zhang , Xiaofeng Zhang , Xiaofei Yang , Di Wang

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…

机器学习 · 计算机科学 2025-06-18 Yuanchen Bei , Weizhi Chen , Hao Chen , Sheng Zhou , Carl Yang , Jiapei Fan , Longtao Huang , Jiajun Bu

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…

计算机视觉与模式识别 · 计算机科学 2019-11-21 Bo Jiang , Beibei Wang , Jin Tang , Bin Luo

Advancements in technologies related to working with omics data require novel computation methods to fully leverage information and help develop a better understanding of human diseases. This paper studies the effects of introducing graph…

基因组学 · 定量生物学 2023-10-17 Nishant Rajadhyaksha , Aarushi Chitkara

Important advances have been made using convolutional neural network (CNN) approaches to solve complicated problems in areas that rely on grid structured data such as image processing and object classification. Recently, research on graph…

机器学习 · 统计学 2018-08-24 Matthew Baron

Over the last few years, we have witnessed the availability of an increasing data generated from non-Euclidean domains, which are usually represented as graphs with complex relationships, and Graph Neural Networks (GNN) have gained a high…

机器学习 · 计算机科学 2023-08-15 Andrea Apicella , Francesco Isgrò , Andrea Pollastro , Roberto Prevete

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

The convolution operation suffers from a limited receptive filed, while global modeling is fundamental to dense prediction tasks, such as semantic segmentation. In this paper, we apply graph convolution into the semantic segmentation task…

计算机视觉与模式识别 · 计算机科学 2020-03-24 Xia Li , Yibo Yang , Qijie Zhao , Tiancheng Shen , Zhouchen Lin , Hong Liu

The analysis of 3D point clouds has diverse applications in robotics, vision and graphics. Processing them presents specific challenges since they are naturally sparse, can vary in spatial resolution and are typically unordered. Graph-based…

计算机视觉与模式识别 · 计算机科学 2023-04-03 Mohammad Khodadad , Morteza Rezanejad , Ali Shiraee Kasmaee , Kaleem Siddiqi , Dirk Walther , Hamidreza Mahyar

Unsupervised multiplex graph learning (UMGL) has been shown to achieve significant effectiveness for different downstream tasks by exploring both complementary information and consistent information among multiple graphs. However, previous…

机器学习 · 计算机科学 2023-08-04 Liang Peng , Xin Wang , Xiaofeng Zhu

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…

计算与语言 · 计算机科学 2022-04-12 Kunze Wang , Soyeon Caren Han , Siqu Long , Josiah Poon

This paper introduces a novel Laplacian matrix aiming to enable the construction of spectral convolutional networks and to extend the signal processing applications for directed graphs. Our proposal is inspired by a Haar-like transformation…

机器学习 · 计算机科学 2025-10-02 Theodor-Adrian Badea , Bogdan Dumitrescu

Graph convolutional networks (GCNs) are currently the most promising paradigm for dealing with graph-structure data, while recent studies have also shown that GCNs are vulnerable to adversarial attacks. Thus developing GCN models that are…

机器学习 · 计算机科学 2023-02-17 Jincheng Huang , Lun Du , Xu Chen , Qiang Fu , Shi Han , Dongmei Zhang

Existing representation learning methods in graph convolutional networks are mainly designed by describing the neighborhood of each node as a perceptual whole, while the implicit semantic associations behind highly complex interactions of…

人工智能 · 计算机科学 2021-01-19 Likang Wu , Zhi Li , Hongke Zhao , Qi Liu , Jun Wang , Mengdi Zhang , Enhong Chen

Graph Convolutional Networks (GCNs) are extensively utilized for deep learning on graphs. The large data sizes of graphs and their vertex features make scalable training algorithms and distributed memory systems necessary. Since the…

机器学习 · 计算机科学 2022-12-14 Gunduz Vehbi Demirci , Aparajita Haldar , Hakan Ferhatosmanoglu

Graph Transformers (GTs) have made remarkable achievements in graph-level tasks. However, most existing works regard graph structures as a form of guidance or bias for enhancing node representations, which focuses on node-central…

机器学习 · 计算机科学 2024-12-10 Xiaorui Qi , Qijie Bai , Yanlong Wen , Haiwei Zhang , Xiaojie Yuan

Graph convolutional networks (GCNs) have achieved great success in dealing with data of non-Euclidean structures. Their success directly attributes to fitting graph structures effectively to data such as in social media and knowledge…

计算机视觉与模式识别 · 计算机科学 2021-05-24 Boyan Xu , Hujun Yin

Directed acyclic graphs (DAGs) are central to science and engineering applications including causal inference, scheduling, and neural architecture search. In this work, we introduce the DAG Convolutional Network (DCN), a novel graph neural…

信号处理 · 电气工程与系统科学 2026-05-20 Samuel Rey , Hamed Ajorlou , Gonzalo Mateos

This study proposes a novel heterogeneous graph convolutional neural network (HGCNN) to handle complex brain fMRI data at regional and across-region levels. We introduce a generic formulation of spectral filters on heterogeneous graphs by…

计算机视觉与模式识别 · 计算机科学 2023-02-24 Jinghan Huang , Moo K. Chung , Anqi Qiu