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Graph Neural Networks (GNNs) often struggle with heterophilic data, where connected nodes may have dissimilar labels, as they typically assume homophily and rely on local message passing. To address this, we propose creating alternative…

Machine Learning · Computer Science 2025-06-11 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Investigating graph feature learning becomes essentially important with the emergence of graph data in many real-world applications. Several graph neural network approaches are proposed for node feature learning and they generally follow a…

Machine Learning · Computer Science 2021-01-07 Hao Yuan , Shuiwang Ji

Graph Neural Networks (GNNs) are characterized by their capacity of processing graph-structured data. However, due to the sparsity of labels under semi-supervised learning, they have been found to exhibit biased performance on specific…

Machine Learning · Computer Science 2025-12-16 Yihan Zhang

Graph kernels have attracted a lot of attention during the last decade, and have evolved into a rapidly developing branch of learning on structured data. During the past 20 years, the considerable research activity that occurred in the…

Machine Learning · Statistics 2021-11-25 Giannis Nikolentzos , Giannis Siglidis , Michalis Vazirgiannis

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…

Graph clustering is essential in graph analysis for revealing structural patterns and node communities. Despite recent advances in self-supervised contrastive learning that have improved clustering via structural and attribute signals,…

Machine Learning · Computer Science 2026-05-28 Lei Zhang , Fubo Sun , Haipeng Yang , Zhong Guan , Likang Wu

We introduce a novel class of explicit feature maps based on topological indices that represent each graph by a compact feature vector, enabling fast and interpretable graph classification. Using radial basis function kernels on these…

Machine Learning · Computer Science 2025-09-23 Adam Wesołowski , Ronin Wu , Karim Essafi

In many important graph data processing applications the acquired information includes both node features and observations of the graph topology. Graph neural networks (GNNs) are designed to exploit both sources of evidence but they do not…

Machine Learning · Computer Science 2021-10-28 Eli Chien , Jianhao Peng , Pan Li , Olgica Milenkovic

Graph Neural Networks have shown excellent performance on semi-supervised classification tasks. However, they assume access to a graph that may not be often available in practice. In the absence of any graph, constructing k-Nearest Neighbor…

Machine Learning · Computer Science 2021-02-23 Vijay Lingam , Arun Iyer , Rahul Ragesh

Graph kernels are usually defined in terms of simpler kernels over local substructures of the original graphs. Different kernels consider different types of substructures. However, in some cases they have similar predictive performances,…

Machine Learning · Computer Science 2016-07-22 Nicolò Navarin , Alessandro Sperduti , Riccardo Tesselli

Node embeddings map graph vertices into low-dimensional Euclidean spaces while preserving structural information. They are central to tasks such as node classification, link prediction, and signal reconstruction. A key goal is to design…

Machine Learning · Computer Science 2026-02-18 Valentin de Bassompierre , Jean-Charles Delvenne , Laurent Jacques

Graph Neural Networks (GNNs) are well-suited for learning on homophilous graphs, i.e., graphs in which edges tend to connect nodes of the same type. Yet, achievement of consistent GNN performance on heterophilous graphs remains an open…

Machine Learning · Computer Science 2023-08-30 Andrea Cavallo , Claas Grohnfeldt , Michele Russo , Giulio Lovisotto , Luca Vassio

In this paper, we present subgraph2vec, a novel approach for learning latent representations of rooted subgraphs from large graphs inspired by recent advancements in Deep Learning and Graph Kernels. These latent representations encode…

Machine Learning · Computer Science 2016-06-30 Annamalai Narayanan , Mahinthan Chandramohan , Lihui Chen , Yang Liu , Santhoshkumar Saminathan

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

Many real-world data can be represented as heterogeneous graphs with different types of nodes and connections. Heterogeneous graph neural network model aims to embed nodes or subgraphs into low-dimensional vector space for various…

Artificial Intelligence · Computer Science 2024-12-24 Xinjun Cai , Jiaxing Shang , Fei Hao , Dajiang Liu , Linjiang Zheng

By incorporating the graph structural information into Transformers, graph Transformers have exhibited promising performance for graph representation learning in recent years. Existing graph Transformers leverage specific strategies, such…

Machine Learning · Computer Science 2022-11-16 Gaichao Li , Jinsong Chen , Kun He

In this paper, we propose a novel graph kernel, namely the Quantum-based Entropic Subtree Kernel (QESK), for Graph Classification. To this end, we commence by computing the Average Mixing Matrix (AMM) of the Continuous-time Quantum Walk…

Machine Learning · Computer Science 2022-12-13 Lu Bai , Lixin Cui , Edwin R. Hancock

Human activity recognition is increasingly vital for supporting independent living, particularly for the elderly and those in need of assistance. Domestic service robots with monitoring capabilities can enhance safety and provide essential…

Computer Vision and Pattern Recognition · Computer Science 2025-04-04 Vincent Gbouna Zakka , Luis J. Manso , Zhuangzhuang Dai

Graph neural networks (GNNs) excel on homophilic graphs where connected nodes share labels, but struggle with heterophilic graphs where edges do not imply similarity. Moreover, iterative message passing limits scalability due to…

Machine Learning · Computer Science 2026-02-16 Turja Kundu , Sanjukta Bhowmick

This paper presents HGEN that pioneers ensemble learning for heterogeneous graphs. We argue that the heterogeneity in node types, nodal features, and local neighborhood topology poses significant challenges for ensemble learning,…

Machine Learning · Computer Science 2026-02-05 Jiajun Shen , Yufei Jin , Yi He , Xingquan Zhu