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Recent work in graph neural networks (GNNs) has led to improvements in molecular activity and property prediction tasks. Unfortunately, GNNs often fail to capture the relative importance of interactions between molecular substructures, in…

Machine Learning · Computer Science 2020-04-03 Emmanuel Noutahi , Dominique Beaini , Julien Horwood , Sébastien Giguère , Prudencio Tossou

Learning the graph Laplacian from observed data is one of the most investigated and fundamental tasks in Graph Signal Processing (GSP). Different variants of the Laplacian, such as the combinatorial, signless or signed Laplacians have been…

Signal Processing · Electrical Eng. & Systems 2026-04-02 Stefania Sardellitti

In data science, hypergraphs are natural models for data exhibiting multi-way relations, whereas graphs only capture pairwise. Nonetheless, many proposed hypergraph neural networks effectively reduce hypergraphs to undirected graphs via…

Machine Learning · Computer Science 2025-04-18 Tatyana Benko , Martin Buck , Ilya Amburg , Stephen J. Young , Sinan G. Aksoy

We propose a cross-order Laplacian renormalization group (X-LRG) scheme for arbitrary higher-order networks. The renormalization group is a pillar of the theory of scaling, scale-invariance, and universality in physics. An RG scheme based…

Statistical Mechanics · Physics 2024-02-07 Marco Nurisso , Marta Morandini , Maxime Lucas , Francesco Vaccarino , Tommaso Gili , Giovanni Petri

Graphs are crucial for representing interrelated data and aiding predictive modeling by capturing complex relationships. Achieving high-quality graph representation is important for identifying linked patterns, leading to improvements in…

Machine Learning · Computer Science 2024-07-23 Sumeyye Bas , Kiymet Kaya , Resul Tugay , Sule Gunduz Oguducu

Convolutional neural networks (CNNs) leverage the great power in representation learning on regular grid data such as image and video. Recently, increasing attention has been paid on generalizing CNNs to graph or network data which is…

Social and Information Networks · Computer Science 2018-08-21 Yao Ma , Suhang Wang , Charu C. Aggarwal , Dawei Yin , Jiliang Tang

Recently, graph convolutional network (GCN) has been widely used for semi-supervised classification and deep feature representation on graph-structured data. However, existing GCN generally fails to consider the local invariance constraint…

Computer Vision and Pattern Recognition · Computer Science 2018-09-27 Bo Jiang , Doudou Lin

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

Graph Neural Networks (GNNs) have achieved great success on a node classification task. Despite the broad interest in developing and evaluating GNNs, they have been assessed with limited benchmark datasets. As a result, the existing…

Machine Learning · Computer Science 2022-12-29 Seiji Maekawa , Koki Noda , Yuya Sasaki , Makoto Onizuka

Graph neural networks (GNNs) are a popular class of parametric model for learning over graph-structured data. Recent work has argued that GNNs primarily use the graph for feature smoothing, and have shown competitive results on benchmark…

Machine Learning · Computer Science 2020-11-20 Lingfan Yu , Jiajun Shen , Jinyang Li , Adam Lerer

In graph neural networks (GNNs), both node features and labels are examples of graph signals, a key notion in graph signal processing (GSP). While it is common in GSP to impose signal smoothness constraints in learning and estimation tasks,…

Signal Processing · Electrical Eng. & Systems 2023-04-10 Feng Ji , See Hian Lee , Kai Zhao , Wee Peng Tay , Jielong Yang

Deep Neural Networks have shown tremendous success in the area of object recognition, image classification and natural language processing. However, designing optimal Neural Network architectures that can learn and output arbitrary graphs…

Machine Learning · Computer Science 2019-07-02 Mital Kinderkhedia

Relational data representations have become an increasingly important topic due to the recent proliferation of network datasets (e.g., social, biological, information networks) and a corresponding increase in the application of statistical…

Machine Learning · Statistics 2012-04-03 Ryan A. Rossi , Luke K. McDowell , David W. Aha , Jennifer Neville

Knowledge graphs are structured representations of facts in a graph, where nodes represent entities and edges represent relationships between them. Recent research has resulted in the development of several large KGs. However, all of them…

Computation and Language · Computer Science 2020-04-17 Shikhar Vashishth

Graph Neural Networks (GNNs) combine node attributes over a fixed granularity of the local graph structure around a node to predict its label. However, different nodes may relate to a node-level property with a different granularity of its…

Machine Learning · Computer Science 2025-06-19 Kartik Sharma , Vineeth Rakesh , Yingtong Dou , Srijan Kumar , Mahashweta Das

Graph neural networks (GNNs) have gained prominence in recommendation systems in recent years. By representing the user-item matrix as a bipartite and undirected graph, GNNs have demonstrated their potential to capture short- and…

Information Retrieval · Computer Science 2023-11-29 Daniele Malitesta , Claudio Pomo , Tommaso Di Noia

Real-world events exhibit a high degree of interdependence and connections, and hence data points generated also inherit the linkages. However, the majority of AI/ML techniques leave out the linkages among data points. The recent surge of…

Social and Information Networks · Computer Science 2020-06-17 Shrey Dabhi , Manojkumar Parmar

Graph Neural Networks (GNNs) have demonstrated significant success in learning from graph-structured data across various domains. Despite their great successful, one critical challenge is often overlooked by existing works, i.e., the…

Machine Learning · Computer Science 2024-02-15 Tianxiang Zhao , Xiang Zhang , Suhang Wang

The ability of Graph Neural Networks (GNNs) to capture long-range and global topology information is limited by the scope of conventional graph Laplacian, leading to unsatisfactory performance on some datasets, particularly on heterophilic…

Machine Learning · Computer Science 2024-09-17 Qincheng Lu , Jiaqi Zhu , Sitao Luan , Xiao-Wen Chang

Capturing complex high-order interactions among data is an important task in many scenarios. A common way to model high-order interactions is to use hypergraphs whose topology can be mathematically represented by tensors. Existing methods…

Machine Learning · Computer Science 2021-02-22 Ruyuan Qu , Jiaqi He , Hui Feng , Chongbin Xu , Bo Hu