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Convolutional layers in graph neural networks are a fundamental type of layer which output a representation or embedding of each graph vertex. The representation typically encodes information about the vertex in question and its…

Machine Learning · Computer Science 2020-08-26 Padraig Corcoran

Graph signals offer a very generic and natural representation for data that lives on networks or irregular structures. The actual data structure is however often unknown a priori but can sometimes be estimated from the knowledge of the…

Machine Learning · Computer Science 2017-07-19 Hermina Petric Maretic , Dorina Thanou , Pascal Frossard

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

Machine Learning · Computer Science 2024-02-16 Guoji Fu , Mohammed Haroon Dupty , Yanfei Dong , Lee Wee Sun

Learning meaningful graphs from data plays important roles in many data mining and machine learning tasks, such as data representation and analysis, dimension reduction, data clustering, and visualization, etc. In this work, for the first…

Machine Learning · Computer Science 2020-07-30 Yongyu Wang , Zhiqiang Zhao , Zhuo Feng

In graph neural networks (GNNs), pooling operators compute local summaries of input graphs to capture their global properties, and they are fundamental for building deep GNNs that learn hierarchical representations. In this work, we propose…

Machine Learning · Computer Science 2024-04-23 Filippo Maria Bianchi , Daniele Grattarola , Lorenzo Livi , Cesare Alippi

Reservoir computing has been successfully applied to graphs as a preprocessing method to improve the training efficiency of Graph Neural Networks (GNNs). However, a common issue that arises when repeatedly applying layer operators on graphs…

Machine Learning · Computer Science 2025-09-29 Anna Bison , Alessandro Sperduti

This paper introduces Polynomial Graphical Lasso (PGL), a new approach to learning graph structures from nodal signals. Our key contribution lies in modeling the signals as Gaussian and stationary on the graph, enabling the development of a…

Signal Processing · Electrical Eng. & Systems 2024-04-04 Andrei Buciulea , Jiaxi Ying , Antonio G. Marques , Daniel P. Palomar

Graph representation learning has now become the de facto standard when handling graph-structured data, with the framework of message-passing graph neural networks (MPNN) being the most prevailing algorithmic tool. Despite its popularity,…

Machine Learning · Computer Science 2023-10-18 Jiawang Dan , Ruofan Wu , Yunpeng Liu , Baokun Wang , Changhua Meng , Tengfei Liu , Tianyi Zhang , Ningtao Wang , Xing Fu , Qi Li , Weiqiang Wang

In Graph Neural Networks (GNNs), hierarchical pooling operators generate local summaries of the data by coarsening the graph structure and the vertex features. While considerable attention has been devoted to analyzing the expressive power…

Machine Learning · Computer Science 2023-10-16 Filippo Maria Bianchi , Veronica Lachi

Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster.…

Machine Learning · Computer Science 2021-01-01 Filippo Maria Bianchi , Daniele Grattarola , Cesare Alippi

Graph neural networks (GNNs) have demonstrated remarkable capabilities in learning from graph-structured data, often outperforming traditional Multilayer Perceptrons (MLPs) in numerous graph-based tasks. Although existing works have…

Machine Learning · Computer Science 2025-06-09 Wei Huang , Yuan Cao , Haonan Wang , Xin Cao , Taiji Suzuki

Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a…

Machine Learning · Computer Science 2024-09-16 Chengyu Yao , Hong Huang , Hang Gao , Fengge Wu , Haiming Chen , Junsuo Zhao

The integration of Graph Neural Networks (GNNs) with Large Language Models (LLMs) has emerged as a promising paradigm for Graph Question Answering (GraphQA). However, effective methods for encoding complex structural information into the…

Machine Learning · Computer Science 2026-04-02 Ankit Grover , Lodovico Giaretta , Rémi Bourgerie , Sarunas Girdzijauskas

Graph classification is an important problem with applications across many domains, like chemistry and bioinformatics, for which graph neural networks (GNNs) have been state-of-the-art (SOTA) methods. GNNs are designed to learn node-level…

Machine Learning · Computer Science 2021-08-25 Lanning Wei , Huan Zhao , Quanming Yao , Zhiqiang He

Graph Laplacian learning, also known as network topology inference, is a problem of great interest to multiple communities. In Gaussian graphical models (GM), graph learning amounts to endowing covariance selection with the Laplacian…

Machine Learning · Computer Science 2024-02-14 Changhao Shi , Gal Mishne

Standard deep learning architectures used for classification generate label predictions with a projection head and softmax activation function. Although successful, these methods fail to leverage the relational information between samples…

Machine Learning · Computer Science 2025-12-10 Jason Brown , Bohan Chen , Harris Hardiman-Mostow , Jeff Calder , Andrea L. Bertozzi

Graph classification is a challenging problem owing to the difficulty in quantifying the similarity between graphs or representing graphs as vectors, though there have been a few methods using graph kernels or graph neural networks (GNNs).…

Machine Learning · Computer Science 2024-08-22 Zixiao Wang , Jicong Fan

Graph neural networks have emerged as a powerful model for graph representation learning to undertake graph-level prediction tasks. Various graph pooling methods have been developed to coarsen an input graph into a succinct graph-level…

Machine Learning · Computer Science 2021-09-27 Xiaowei Zhou , Jie Yin , Ivor W. Tsang

Convolutional graph networks are used in particle physics for effective event reconstructions and classifications. However, their performances can be limited by the considerable amount of sensors used in modern particle detectors if applied…

High Energy Physics - Experiment · Physics 2022-10-10 M. Bachlechner , T. Birkenfeld , P. Soldin , A. Stahl , C. Wiebusch