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Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its…

Machine Learning · Statistics 2025-08-26 Soumyasundar Pal , Liheng Ma , Amine Natik , Yingxue Zhang , Mark Coates

Graph Neural Networks (GNNs) are recognized as potent tools for processing real-world data organized in graph structures. Especially inductive GNNs, which allow for the processing of graph-structured data without relying on predefined graph…

Machine Learning · Computer Science 2024-11-21 Marcin Podhajski , Jan Dubiński , Franziska Boenisch , Adam Dziedzic , Agnieszka Pregowska , Tomasz P. Michalak

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

Machine Learning · Computer Science 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi

Graph neural networks (GNNs) have drawn increasing attention in recent years and achieved remarkable performance in many graph-based tasks, especially in semi-supervised learning on graphs. However, most existing GNNs are based on the…

Machine Learning · Computer Science 2024-01-24 Li Zhou , Wenyu Chen , Dingyi Zeng , Shaohuan Cheng , Wanlong Liu , Malu Zhang , Hong Qu

Stacking-based deep neural network (S-DNN), in general, denotes a deep neural network (DNN) resemblance in terms of its very deep, feedforward network architecture. The typical S-DNN aggregates a variable number of individually learnable…

Computer Vision and Pattern Recognition · Computer Science 2017-05-23 Cheng-Yaw Low , Andrew Beng-Jin Teoh

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Graph Neural Networks (GNNs) are versatile, powerful machine learning methods that enable graph structure and feature representation learning, and have applications across many domains. For applications critically requiring interpretation,…

Machine Learning · Computer Science 2020-07-02 Chris Lin , Gerald J. Sun , Krishna C. Bulusu , Jonathan R. Dry , Marylens Hernandez

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Machine Learning · Computer Science 2022-06-10 Zepeng Zhang , Ziping Zhao

Unsupervised graph anomaly detection aims at identifying rare patterns that deviate from the majority in a graph without the aid of labels, which is important for a variety of real-world applications. Recent advances have utilized Graph…

Machine Learning · Computer Science 2025-05-27 Yuanchen Bei , Sheng Zhou , Jinke Shi , Yao Ma , Haishuai Wang , Jiajun Bu

Continuous graph neural networks (CGNNs) have garnered significant attention due to their ability to generalize existing discrete graph neural networks (GNNs) by introducing continuous dynamics. They typically draw inspiration from…

Neural and Evolutionary Computing · Computer Science 2025-07-15 Nan Yin , Mengzhu Wan , Li Shen , Hitesh Laxmichand Patel , Baopu Li , Bin Gu , Huan Xiong

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of…

Machine Learning · Computer Science 2020-07-21 Meng Liu , Hongyang Gao , Shuiwang Ji

The dominant paradigm for learning on graph-structured data is message passing. Despite being a strong inductive bias, the local message passing mechanism suffers from pathological issues such as over-smoothing, over-squashing, and limited…

Machine Learning · Computer Science 2025-04-15 Jacob Bamberger , Federico Barbero , Xiaowen Dong , Michael M. Bronstein

Graph neural networks (GNNs) continue to achieve state-of-the-art performance on many graph learning tasks, but rely on the assumption that a given graph is a sufficient approximation of the true neighborhood structure. When a system…

Machine Learning · Computer Science 2023-02-08 Steven J. Krieg , William C. Burgis , Patrick M. Soga , Nitesh V. Chawla

Deep Neural Networks (DNNs) have shown unparalleled achievements in numerous applications, reflecting their proficiency in managing vast data sets. Yet, their static structure limits their adaptability in ever-changing environments. This…

Computer Vision and Pattern Recognition · Computer Science 2023-10-03 Yunjie Zhu , Yunhao Chen

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

Machine Learning · Computer Science 2023-11-07 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Doina Precup

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

Graph neural networks (GNNs) are naturally distributed architectures for learning representations from network data. This renders them suitable candidates for decentralized tasks. In these scenarios, the underlying graph often changes with…

Machine Learning · Computer Science 2022-08-31 Zhan Gao , Fernando Gama , Alejandro Ribeiro

In this paper, we propose a novel hybrid deep learning architecture that synergistically combines Graph Neural Networks (GNNs), Recurrent Neural Networks (RNNs), and multi-head attention mechanisms to significantly enhance cybersecurity…

Cryptography and Security · Computer Science 2025-10-31 Jayant Biradar , Smit Shah , Tanmay Naik

The analogy to heat diffusion has enhanced our understanding of information flow in graphs and inspired the development of Graph Neural Networks (GNNs). However, most diffusion-based GNNs emulate passive heat diffusion, which still suffers…

Machine Learning · Computer Science 2025-10-23 Mengying Jiang