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Graph classification aims to categorise graphs based on their structure and node attributes. In this work, we propose to tackle this task using tools from graph signal processing by deriving spectral features, which we then use to design…

Machine Learning · Computer Science 2023-06-07 Felix L. Opolka , Yin-Cong Zhi , Pietro Liò , Xiaowen Dong

Predicting the labels of graph-structured data is crucial in scientific applications and is often achieved using graph neural networks (GNNs). However, when data is scarce, GNNs suffer from overfitting, leading to poor performance.…

Machine Learning · Computer Science 2025-05-19 Mathieu Alain , So Takao , Xiaowen Dong , Bastian Rieck , Emmanuel Noutahi

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

We propose principled Gaussian processes (GPs) for modeling functions defined over the edge set of a simplicial 2-complex, a structure similar to a graph in which edges may form triangular faces. This approach is intended for learning…

Machine Learning · Statistics 2024-03-05 Maosheng Yang , Viacheslav Borovitskiy , Elvin Isufi

We introduce Graph Neural Processes (GNP), inspired by the recent work in conditional and latent neural processes. A Graph Neural Process is defined as a Conditional Neural Process that operates on arbitrary graph data. It takes features of…

Machine Learning · Computer Science 2019-10-03 Andrew Carr , David Wingate

Graph classification has recently received a lot of attention from various fields of machine learning e.g. kernel methods, sequential modeling or graph embedding. All these approaches offer promising results with different respective…

Machine Learning · Computer Science 2018-11-13 Nathan de Lara , Edouard Pineau

For graph classification tasks, many traditional kernel methods focus on measuring the similarity between graphs. These methods have achieved great success on resolving graph isomorphism problems. However, in some classification problems,…

Machine Learning · Computer Science 2021-02-18 Jianming Huang , Hiroyuki Kasai

Graph Gaussian Processes (GGPs) provide a data-efficient solution on graph structured domains. Existing approaches have focused on static structures, whereas many real graph data represent a dynamic structure, limiting the applications of…

Machine Learning · Computer Science 2021-11-04 David Blanco-Mulero , Markus Heinonen , Ville Kyrki

Graph models are relevant in many fields, such as distributed computing, intelligent tutoring systems or social network analysis. In many cases, such models need to take changes in the graph structure into account, i.e. a varying number of…

Artificial Intelligence · Computer Science 2018-10-09 Benjamin Paaßen , Christina Göpfert , Barbara Hammer

We introduce a novel edge tracing algorithm using Gaussian process regression. Our edge-based segmentation algorithm models an edge of interest using Gaussian process regression and iteratively searches the image for edge pixels in a…

Computer Vision and Pattern Recognition · Computer Science 2021-12-15 Jamie Burke , Stuart King

Link prediction aims to reveal missing edges in a graph. We address this task with a Gaussian process that is transformed using simplified graph convolutions to better leverage the inductive bias of the domain. To scale the Gaussian process…

Machine Learning · Computer Science 2020-02-12 Felix L. Opolka , Pietro Liò

Graph classification is a significant problem in many scientific domains. It addresses tasks such as the classification of proteins and chemical compounds into categories according to their functions, or chemical and structural properties.…

Machine Learning · Computer Science 2019-02-25 Marcelo Daniel Gutierrez Mallea , Peter Meltzer , Peter J Bentley

Gaussian processes are a versatile framework for learning unknown functions in a manner that permits one to utilize prior information about their properties. Although many different Gaussian process models are readily available when the…

Traditional classification tasks learn to assign samples to given classes based solely on sample features. This paradigm is evolving to include other sources of information, such as known relations between samples. Here we show that, even…

Machine Learning · Computer Science 2021-04-15 Yifan Qian , Paul Expert , Pietro Panzarasa , Mauricio Barahona

Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We…

Machine Learning · Computer Science 2020-02-05 Nils M. Kriege , Fredrik D. Johansson , Christopher Morris

Graph kernels are kernel methods measuring graph similarity and serve as a standard tool for graph classification. However, the use of kernel methods for node classification, which is a related problem to graph representation learning, is…

Machine Learning · Computer Science 2019-10-08 Yu Tian , Long Zhao , Xi Peng , Dimitris N. Metaxas

Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel is derived from a regularization…

Machine Learning · Computer Science 2022-11-29 Yin-Cong Zhi , Felix L. Opolka , Yin Cheng Ng , Pietro Liò , Xiaowen Dong

Spectral graph convolutional neural networks (GCNNs) have been producing encouraging results in graph classification tasks. However, most spectral GCNNs utilize fixed graphs when aggregating node features, while omitting edge feature…

Computer Vision and Pattern Recognition · Computer Science 2022-10-06 Yang Yi , Xuequan Lu , Shang Gao , Antonio Robles-Kelly , Yuejie Zhang

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 increasing prevalence of graph-structured data across various domains has intensified greater interest in graph classification tasks. While numerous sophisticated graph learning methods have emerged, their complexity often hinders…

Machine Learning · Computer Science 2025-09-03 Saiful Islam , Md. Nahid Hasan , Pitambar Khanra
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