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We propose a graph spectrum-based Gaussian process for prediction of signals defined on nodes of the graph. The model is designed to capture various graph signal structures through a highly adaptive kernel that incorporates a flexible…

Machine Learning · Computer Science 2020-10-29 Yin-Cong Zhi , Yin Cheng Ng , Xiaowen Dong

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

Machine Learning · Computer Science 2023-09-01 Guanyu Cui , Zhewei Wei

Deep neural networks have recently emerged as a disruptive technology to solve NP-hard wireless resource allocation problems in a real-time manner. However, the adopted neural network structures, e.g., multi-layer perceptron (MLP) and…

Information Theory · Computer Science 2019-07-22 Yifei Shen , Yuanming Shi , Jun Zhang , Khaled B. Letaief

Graph neural networks (GNNs) have achieved great success in many scenarios with graph-structured data. However, in many real applications, there are three issues when applying GNNs: graphs are unknown, nodes have noisy features, and graphs…

Machine Learning · Computer Science 2022-10-11 Yixiang Shan , Jielong Yang , Xing Liu , Yixing Gao , Hechang Chen , Shuzhi Sam Ge

A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of…

Machine Learning · Statistics 2022-06-14 Hamed Shirzad , Kaveh Hassani , Danica J. Sutherland

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Traditional graph neural networks (GNNs) lack scalability and lose individual node characteristics due to over-smoothing, especially in the case of deeper networks. This results in sub-optimal feature representation, affecting the model's…

Machine Learning · Computer Science 2025-12-09 Shikhar Vashistha , Neetesh Kumar

Graphs are naturally used to describe the structures of various real-world systems in biology, society, computer science etc., where subgraphs or motifs as basic blocks play an important role in function expression and information…

Social and Information Networks · Computer Science 2021-02-11 Jinhuan Wang , Pengtao Chen , Bin Ma , Jiajun Zhou , Zhongyuan Ruan , Guanrong Chen , Qi Xuan

In recent years, Graph Neural Network (GNN) based models have shown promising results in simulating physics of complex systems. However, training dedicated graph network based physics simulators can be costly, as most models are confined to…

Machine Learning · Computer Science 2025-02-12 Siqi Shen , Yu Liu , Daniel Biggs , Omar Hafez , Jiandong Yu , Wentao Zhang , Bin Cui , Jiulong Shan

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

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…

Computational Physics · Physics 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko

Graph Neural Networks (GNNs) have recently caught great attention and achieved significant progress in graph-level applications. In this paper, we propose a framework for graph neural networks with multiresolution Haar-like wavelets, or…

Machine Learning · Computer Science 2021-01-26 Xuebin Zheng , Bingxin Zhou , Ming Li , Yu Guang Wang , Junbin Gao

In real-world applications, spectral Graph Neural Networks (GNNs) are powerful tools for processing diverse types of graphs. However, a single GNN often struggles to handle different graph types-such as homogeneous and heterogeneous…

Machine Learning · Computer Science 2024-12-19 Shibing Mo , Kai Wu , Qixuan Gao , Xiangyi Teng , Jing Liu

State-space models (SSMs) are a powerful statistical tool for modelling time-varying systems via a latent state. In these models, the latent state is never directly observed. Instead, a sequence of observations related to the state is…

Computation · Statistics 2025-03-25 Benjamin Cox , Emilie Chouzenoux , Victor Elvira

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

Matching, a task to optimally assign limited resources under constraints, is a fundamental technology for society. The task potentially has various objectives, conditions, and constraints; however, the efficient neural network architecture…

Machine Learning · Computer Science 2023-10-20 Shusaku Sone , Jiaxin Ma , Atsushi Hashimoto , Naoya Chiba , Yoshitaka Ushiku

The prevalence of graph-based data has spurred the rapid development of graph neural networks (GNNs) and related machine learning algorithms. Yet, despite the many datasets naturally modeled as directed graphs, including citation, website,…

Machine Learning · Computer Science 2021-06-14 Xitong Zhang , Yixuan He , Nathan Brugnone , Michael Perlmutter , Matthew Hirn

Spectral graph convolutional networks are generalizations of standard convolutional networks for graph-structured data using the Laplacian operator. A common misconception is the instability of spectral filters, i.e. the impossibility to…

Machine Learning · Computer Science 2020-12-21 Axel Nilsson , Xavier Bresson

In recent years, graph neural networks (GNNs) have gained significant attention for node classification tasks on graph-structured data. However, traditional GNNs primarily focus on adjacency relationships between nodes, often overlooking…

Machine Learning · Computer Science 2025-11-17 A. Quadir , M. Tanveer

Graph Neural Networks (GNNs) are widely applied to graph learning problems such as node classification. When scaling up the underlying graphs of GNNs to a larger size, we are forced to either train on the complete graph and keep the full…

Machine Learning · Computer Science 2024-06-25 Mucong Ding , Tahseen Rabbani , Bang An , Evan Z Wang , Furong Huang