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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

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…

Machine Learning · Computer Science 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

Graph Neural Networks (GNNs) and Graph Transformers (GTs) are now a fundamental paradigm for graph learning, combining the representation-learning capabilities of deep models with the sample efficiency induced by their inductive biases.…

Machine Learning · Computer Science 2026-05-19 Stefano Carotti , Marco Pacini , Alessio Gravina , Davide Bacciu , Bruno Lepri , Sebastiano Bontorin

Diffusion has shown great success in improving accuracy of unsupervised image retrieval systems by utilizing high-order structures of image manifold. However, existing diffusion methods suffer from three major limitations: 1) they usually…

Computer Vision and Pattern Recognition · Computer Science 2020-06-15 Zhiyong Dou , Haotian Cui , Lin Zhang , Bo Wang

Graph Neural Networks (GNNs) have emerged as powerful tools for predicting outcomes in graph-structured data. However, a notable limitation of GNNs is their inability to provide robust uncertainty estimates, which undermines their…

Machine Learning · Computer Science 2024-10-10 S. Akansha

Traffic flow forecasting is a critical spatio-temporal data mining task with wide-ranging applications in intelligent route planning and dynamic traffic management. Recent advancements in deep learning, particularly through Graph Neural…

Machine Learning · Computer Science 2025-05-14 Weiyang Kong , Kaiqi Wu , Sen Zhang , Yubao Liu

Graph Neural Networks (GNNs) show strong promise for circuit analysis, but scaling to modern large-scale circuit graphs is limited by GPU memory and training cost, especially for deep models. We revisit deep GNNs for circuit graphs and show…

Machine Learning · Computer Science 2026-03-31 Yuebo Luo , Shiyang Li , Yifei Feng , Vishal Kancharla , Shaoyi Huang , Caiwen Ding

Graph Neural Networks (GNNs) have gained significant attention in recent years due to their ability to learn representations of graph-structured data. Two common methods for training GNNs are mini-batch training and full-graph training.…

Machine Learning · Computer Science 2024-12-24 Saurabh Bajaj , Hojae Son , Juelin Liu , Hui Guan , Marco Serafini

Graph Neural Networks (GNNs) have led to state-of-the-art performance on a variety of machine learning tasks such as recommendation, node classification and link prediction. Graph neural network models generate node embeddings by merging…

Machine Learning · Computer Science 2020-11-04 Yunpeng Weng , Xu Chen , Liang Chen , Wei Liu

Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

Machine Learning · Computer Science 2021-08-30 Enyan Dai , Suhang Wang

Most existing deep learning models are trained based on the closed-world assumption, where the test data is assumed to be drawn i.i.d. from the same distribution as the training data, known as in-distribution (ID). However, when models are…

Machine Learning · Computer Science 2022-11-09 Yixin Liu , Kaize Ding , Huan Liu , Shirui Pan

There is growing interest in applying graph-based methods to Time Series Anomaly Detection (TSAD), particularly Graph Neural Networks (GNNs), as they naturally model dependencies among multivariate signals. GNNs are typically used as…

Machine Learning · Computer Science 2026-03-11 Federico Bello , Gonzalo Chiarlone , Marcelo Fiori , Gastón García González , Federico Larroca

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

Detecting test-time distribution shift has emerged as a key capability for safely deployed machine learning models, with the question being tackled under various guises in recent years. In this paper, we aim to provide a consolidated view…

Computer Vision and Pattern Recognition · Computer Science 2024-09-02 Hongjun Wang , Sagar Vaze , Kai Han

Graph Similarity Computation (GSC) is a fundamental graph related task where Graph Edit Distance (GED) serves as a prevalent metric. GED is determined by an optimal alignment between a pair of graphs that partitions each into aligned…

Machine Learning · Computer Science 2025-11-26 Zhentao Zhan , Xiaoliang Xu , Jingjing Wang , Junmei Wang

The last few years have seen an increasing wave of attacks with serious economic and privacy damages, which evinces the need for accurate Network Intrusion Detection Systems (NIDS). Recent works propose the use of Machine Learning (ML)…

Cryptography and Security · Computer Science 2021-08-02 David Pujol-Perich , José Suárez-Varela , Albert Cabellos-Aparicio , Pere Barlet-Ros

This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various…

Machine Learning · Computer Science 2019-05-14 Yujia Li , Chenjie Gu , Thomas Dullien , Oriol Vinyals , Pushmeet Kohli

To enhance the reliability and credibility of graph neural networks (GNNs) and improve the transparency of their decision logic, a new field of explainability of GNNs (XGNN) has emerged. However, two major limitations severely degrade the…

Machine Learning · Computer Science 2025-05-26 Han Zhang , Yan Wang , Guanfeng Liu , Pengfei Ding , Huaxiong Wang , Kwok-Yan Lam

The exponential growth of data has intensified the gap between the availability of unlabeled data and the high cost of manual annotation. Graph Neural Networks (GNNs) have emerged as a promising solution, as they exploit relational…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Rafael Mendonça Duarte , Jean Roberto Ponciano , Lucas Pascotti Valem

In neuroscience, identifying distinct patterns linked to neurological disorders, such as Alzheimer's and Autism, is critical for early diagnosis and effective intervention. Graph Neural Networks (GNNs) have shown promising in analyzing…

Machine Learning · Computer Science 2025-02-05 Jiaxing Xu , Yongqiang Chen , Xia Dong , Mengcheng Lan , Tiancheng Huang , Qingtian Bian , James Cheng , Yiping Ke