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We propose a novel benchmarking methodology for graph neural networks (GNNs) based on the graph alignment problem, a combinatorial optimization task that generalizes graph isomorphism by aligning two unlabeled graphs to maximize overlapping…

机器学习 · 计算机科学 2025-05-20 Adrien Lagesse , Marc Lelarge

Node classification on graphs is a significant task with a wide range of applications, including social analysis and anomaly detection. Even though graph neural networks (GNNs) have produced promising results on this task, current…

机器学习 · 计算机科学 2023-06-16 Jingyang Yuan , Xiao Luo , Yifang Qin , Yusheng Zhao , Wei Ju , Ming Zhang

Graph Neural Networks (GNNs) have received considerable attention since its introduction. It has been widely applied in various fields due to its ability to represent graph structured data. However, the application of GNNs is constrained by…

神经元与认知 · 定量生物学 2023-09-20 Yihan Wu , Tao Chang , Peng Xu , Yangsong Zhang

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

机器学习 · 计算机科学 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

Machine learning (ML) methods have gained increasing popularity in exploring and developing new materials. More specifically, graph neural network (GNN) has been applied in predicting material properties. In this work, we develop a novel…

计算物理 · 物理学 2020-08-18 Steph-Yves Louis , Yong Zhao , Alireza Nasiri , Xiran Wong , Yuqi Song , Fei Liu , Jianjun Hu

Graph-based semi-supervised node classification has been shown to become a state-of-the-art approach in many applications with high research value and significance. Most existing methods are only based on the original intrinsic or…

机器学习 · 计算机科学 2023-06-08 Jianpeng Liao , Jun Yan , Qian Tao

Graph Neural Networks (GNNs) have become a dominant approach to learning graph representations, primarily because of their message-passing mechanisms. However, GNNs typically adopt a fixed aggregator function such as Mean, Max, or Sum…

机器学习 · 计算机科学 2025-07-29 Xuanting Xie , Bingheng Li , Erlin Pan , Zhao Kang , Wenyu Chen

Graph classification is an important learning task for graph-structured data. Graph neural networks (GNNs) have recently gained growing attention in graph learning and have shown significant improvements in many important graph problems.…

机器学习 · 计算机科学 2024-01-31 Tao Wen , Elynn Chen , Yuzhou Chen

Link prediction is a fundamental task in dynamic graph learning (DGL), inherently shaped by the topology of the DG. Recent advancements in dynamic graph neural networks (DGNN), primarily by modeling the relationships among nodes via a…

机器学习 · 计算机科学 2025-04-29 Ling Wang , Minglian Han

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

机器学习 · 计算机科学 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

The significant increase in world population and urbanisation has brought several important challenges, in particular regarding the sustainability, maintenance and planning of urban mobility. At the same time, the exponential increase of…

机器学习 · 计算机科学 2021-04-28 João Rico , José Barateiro , Arlindo Oliveira

Graph Convolutional Network (GCN) is a model that can effectively handle graph data tasks and has been successfully applied. However, for large-scale graph datasets, GCN still faces the challenge of high computational overhead, especially…

机器学习 · 计算机科学 2026-04-15 Guan Wang , Shuyin Xia , Lei Qian , Tao Wu , Guoyin Wang , Yi Wang , Wei Wang

Most existing graph neural networks (GNNs) learn node embeddings using the framework of message passing and aggregation. Such GNNs are incapable of learning relative positions between graph nodes within a graph. To empower GNNs with the…

机器学习 · 计算机科学 2024-11-05 Zhenyue Qin , Yiqun Zhang Saeed Anwar , Dongwoo Kim , Yang Liu , Pan Ji , Tom Gedeon

We propose an Attention Enhanced Join-Graph Neural Networks(Attn-JGNN) model for solving #SAT problems, which significantly improves the solving accuracy. Inspired by the Iterative Join Graph Propagation (IJGP) algorithm, Attn-JGNN uses…

机器学习 · 计算机科学 2026-01-16 Jixin Zhang

The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

机器学习 · 计算机科学 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

机器学习 · 计算机科学 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

Graph data is becoming increasingly prevalent due to the growing demand for relational insights in AI across various domains. Organizations regularly use graph data to solve complex problems involving relationships and connections. Causal…

机器学习 · 计算机科学 2026-02-23 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Jianming Yong , Xin Wang

Hypergraph neural networks (HGNN) have recently become attractive and received significant attention due to their excellent performance in various domains. However, most existing HGNNs rely on first-order approximations of hypergraph…

人工智能 · 计算机科学 2024-01-11 Maolin Wang , Yaoming Zhen , Yu Pan , Yao Zhao , Chenyi Zhuang , Zenglin Xu , Ruocheng Guo , Xiangyu Zhao

Graph neural networks (GNNs) emerge as a powerful family of representation learning models on graphs. To derive node representations, they utilize a global model that recursively aggregates information from the neighboring nodes. However,…

机器学习 · 计算机科学 2021-11-04 Zemin Liu , Yuan Fang , Chenghao Liu , Steven C. H. Hoi

Rule-based fine-grained IP geolocation methods are hard to generalize in computer networks which do not follow hypothetical rules. Recently, deep learning methods, like multi-layer perceptron (MLP), are tried to increase generalization…

机器学习 · 计算机科学 2023-04-18 Shichang Ding , Xiangyang Luo , Jinwei Wang , Xiaoming Fu