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Distinguishing the automorphic equivalence of nodes in a graph plays an essential role in many scientific domains, e.g., computational biologist and social network analysis. However, existing graph neural networks (GNNs) fail to capture…

Machine Learning · Computer Science 2021-11-10 Fengli Xu , Quanming Yao , Pan Hui , Yong Li

Graphs are complex objects that do not lend themselves easily to typical learning tasks. Recently, a range of approaches based on graph kernels or graph neural networks have been developed for graph classification and for representation…

Machine Learning · Computer Science 2022-05-19 Chen Cai , Yusu Wang

Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inherently local and can suffer from information flow bottlenecks.…

Computational Physics · Physics 2025-02-21 Alessandro Caruso , Jacopo Venturin , Lorenzo Giambagli , Edoardo Rolando , Frank Noé , Cecilia Clementi

Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

Machine Learning · Computer Science 2020-06-11 Ting Chen , Song Bian , Yizhou Sun

Graph learning methods have been extensively applied in diverse application areas. However, what kind of inherent graph properties e.g. graph proximity, graph structural information has been encoded into graph representation learning for…

Machine Learning · Computer Science 2024-08-08 Mingyu Zhao , Xingyu Huang , Ziyu Lyu , Yanlin Wang , Lixin Cui , Lu Bai

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani

Graph Neural Networks (GNNs) have emerged as prominent models for representation learning on graph structured data. GNNs follow an approach of message passing analogous to 1-dimensional Weisfeiler Lehman (1-WL) test for graph isomorphism…

Machine Learning · Computer Science 2022-03-18 Mohammed Haroon Dupty , Wee Sun Lee

Graph neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as…

Machine Learning · Computer Science 2022-04-11 Manh Tuan Do , Noseong Park , Kijung Shin

Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNN models with superior performance according to a…

Graph Neural Networks (GNNs) have achieved great success in representing data with dependencies by recursively propagating and aggregating messages along the edges. However, edges in real-world graphs often have varying degrees of…

Machine Learning · Computer Science 2023-10-31 Zheng Zhang , Junxiang Wang , Liang Zhao

Graph neural networks (GNNs) have achieved tremendous success in the task of graph classification and its diverse downstream real-world applications. Despite the huge success in learning graph representations, current GNN models have…

Social and Information Networks · Computer Science 2023-09-07 Xin Wang , Heng Chang , Beini Xie , Tian Bian , Shiji Zhou , Daixin Wang , Zhiqiang Zhang , Wenwu Zhu

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

Graph Convolutional Neural Networks (GCNNs) are the most recent exciting advancement in deep learning field and their applications are quickly spreading in multi-cross-domains including bioinformatics, chemoinformatics, social networks,…

Machine Learning · Statistics 2018-08-28 Saurabh Verma , Zhi-Li Zhang

Graph neural networks are prominent models for representation learning over graphs, where the idea is to iteratively compute representations of nodes of an input graph through a series of transformations in such a way that the learned graph…

Machine Learning · Computer Science 2023-10-26 Radoslav Dimitrov , Zeyang Zhao , Ralph Abboud , İsmail İlkan Ceylan

Determining the appropriate locus of care for addiction patients is one of the most critical clinical decisions that affects patient treatment outcomes and effective use of resources. With a lack of sufficient specialized treatment…

Machine Learning · Computer Science 2026-01-21 Subham Kumar , Lekhansh Shukla , Animesh Mukherjee , Koustav Rudra , Prakrithi Shivaprakash

How can we accurately classify graphs? Graph classification is a pivotal task in data mining with applications in social network analysis, web analysis, drug discovery, molecular property prediction, etc. Graph neural networks have achieved…

Machine Learning · Computer Science 2025-03-28 Minjun Kim , Jaehyeon Choi , SeungJoo Lee , Jinhong Jung , U Kang

Graph Neural Networks (GNNs) have become increasingly ubiquitous in numerous applications and systems, necessitating explanations of their predictions, especially when making critical decisions. However, explaining GNNs is challenging due…

Machine Learning · Computer Science 2022-10-21 Tien-Cuong Bui , Van-Duc Le , Wen-syan Li , Sang Kyun Cha

Graph neural networks (GNNs) rely mainly on the message-passing paradigm to propagate node features and build interactions, and different graph learning problems require different ranges of node interactions. In this work, we explore the…

Machine Learning · Computer Science 2026-01-08 Fang Wu , Siyuan Li , Stan Z. Li

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera