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We propose a representation of graph as a functional object derived from the power iteration of the underlying adjacency matrix. The proposed functional representation is a graph invariant, i.e., the functional remains unchanged under any…

Machine Learning · Computer Science 2014-04-22 Anshumali Shrivastava , Ping Li

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Graph contrastive learning (GCL) aims to align the positive features while differentiating the negative features in the latent space by minimizing a pair-wise contrastive loss. As the embodiment of an outstanding discriminative unsupervised…

Machine Learning · Computer Science 2023-12-27 Jiangmeng Li , Yifan Jin , Hang Gao , Wenwen Qiang , Changwen Zheng , Fuchun Sun

We consider the problem of classifying graphs using graph kernels. We define a new graph kernel, called the generalized shortest path kernel, based on the number and length of shortest paths between nodes. For our example classification…

Data Structures and Algorithms · Computer Science 2015-11-20 Linus Hermansson , Fredrik D. Johansson , Osamu Watanabe

We introduce the first graph kernels for metric graphs via tropical algebraic geometry. In contrast to conventional graph kernels based on graph combinatorics such as nodes, edges, and subgraphs, our metric graph kernels are purely based on…

Machine Learning · Computer Science 2026-01-30 Yueqi Cao , Anthea Monod

Constructing the adjacency graph is fundamental to graph-based clustering. Graph learning in kernel space has shown impressive performance on a number of benchmark data sets. However, its performance is largely determined by the chosen…

Machine Learning · Computer Science 2019-03-15 Zhao Kang , Liangjian Wen , Wenyu Chen , Zenglin Xu

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

Graph-based clustering has shown promising performance in many tasks. A key step of graph-based approach is the similarity graph construction. In general, learning graph in kernel space can enhance clustering accuracy due to the…

Machine Learning · Computer Science 2019-05-22 Zhao Kang , Honghui Xu , Boyu Wang , Hongyuan Zhu , Zenglin Xu

Graph neural networks (GNNs) have demonstrated great success in representation learning for graph-structured data. The layer-wise graph convolution in GNNs is shown to be powerful at capturing graph topology. During this process, GNNs are…

Machine Learning · Computer Science 2021-12-10 Mingxuan Ju , Shifu Hou , Yujie Fan , Jianan Zhao , Liang Zhao , Yanfang Ye

The existing definitions of graph convolution, either from spatial or spectral perspectives, are inflexible and not unified. Defining a general convolution operator in the graph domain is challenging due to the lack of canonical…

Machine Learning · Computer Science 2024-06-06 Liheng Ma , Soumyasundar Pal , Yitian Zhang , Jiaming Zhou , Yingxue Zhang , Mark Coates

Graph kernels are often used in bioinformatics and network applications to measure the similarity between graphs; therefore, they may be used to construct efficient graph classifiers. Many graph kernels have been developed thus far, but to…

Quantum Physics · Physics 2022-11-01 Kaito Kishi , Takahiko Satoh , Rudy Raymond , Naoki Yamamoto , Yasubumi Sakakibara

A novel kernel-based support vector machine (SVM) for graph classification is proposed. The SVM feature space mapping consists of a sequence of graph convolutional layers, which generates a vector space representation for each vertex,…

Machine Learning · Computer Science 2020-08-05 Padraig Corcoran

Nowadays, the coupling of electronic structure and machine learning techniques serves as a powerful tool to predict chemical and physical properties of a broad range of systems. With the aim of improving the accuracy of predictions, a large…

Most state-of-the-art graph kernels only take local graph properties into account, i.e., the kernel is computed with regard to properties of the neighborhood of vertices or other small substructures. On the other hand, kernels that do take…

Machine Learning · Computer Science 2017-09-25 Christopher Morris , Kristian Kersting , Petra Mutzel

In this paper, we develop a new aligned vertex convolutional network model to learn multi-scale local-level vertex features for graph classification. Our idea is to transform the graphs of arbitrary sizes into fixed-sized aligned vertex…

Machine Learning · Computer Science 2019-02-27 Lu Bai , Lixin Cui , Shu Wu , Yuhang Jiao , Edwin R. Hancock

We develop novel hierarchical reciprocal graphical models to infer gene networks from heterogeneous data. In the case of data that can be naturally divided into known groups, we propose to connect graphs by introducing a hierarchical prior…

Methodology · Statistics 2018-01-23 Yang Ni , Peter Mueller , Yitan Zhu , Yuan Ji

Graph-structured data are an integral part of many application domains, including chemoinformatics, computational biology, neuroimaging, and social network analysis. Over the last two decades, numerous graph kernels, i.e. kernel functions…

Machine Learning · Computer Science 2021-03-10 Karsten Borgwardt , Elisabetta Ghisu , Felipe Llinares-López , Leslie O'Bray , Bastian Rieck

The majority of popular graph kernels is based on the concept of Haussler's $\mathcal{R}$-convolution kernel and defines graph similarities in terms of mutual substructures. In this work, we enrich these similarity measures by considering…

Machine Learning · Computer Science 2021-10-25 Till Hendrik Schulz , Pascal Welke , Stefan Wrobel

Recent 2D-to-3D human pose estimation works tend to utilize the graph structure formed by the topology of the human skeleton. However, we argue that this skeletal topology is too sparse to reflect the body structure and suffer from serious…

Computer Vision and Pattern Recognition · Computer Science 2023-04-05 Han Li , Bowen Shi , Wenrui Dai , Yabo Chen , Botao Wang , Yu Sun , Min Guo , Chenlin Li , Junni Zou , Hongkai Xiong

Attributed graph clustering is challenging as it requires joint modelling of graph structures and node attributes. Recent progress on graph convolutional networks has proved that graph convolution is effective in combining structural and…

Machine Learning · Computer Science 2019-06-05 Xiaotong Zhang , Han Liu , Qimai Li , Xiao-Ming Wu