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Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Recent works reveal that feature or label smoothing lies at the core of Graph Neural Networks (GNNs). Concretely, they show feature smoothing combined with simple linear regression achieves comparable performance with the carefully designed…

Machine Learning · Computer Science 2021-10-28 Wentao Zhang , Mingyu Yang , Zeang Sheng , Yang Li , Wen Ouyang , Yangyu Tao , Zhi Yang , Bin Cui

Domain generalization aims to learn a model from multiple training domains and generalize it to unseen test domains. Recent theory has shown that seeking the deep models, whose parameters lie in the flat minima of the loss landscape, can…

Computer Vision and Pattern Recognition · Computer Science 2025-04-15 Aodi Li , Liansheng Zhuang , Xiao Long , Minghong Yao , Shafei Wang

Deep neural networks often suffer from poor generalization caused by complex and non-convex loss landscapes. One of the popular solutions is Sharpness-Aware Minimization (SAM), which smooths the loss landscape via minimizing the maximized…

Machine Learning · Computer Science 2022-10-25 Peng Mi , Li Shen , Tianhe Ren , Yiyi Zhou , Xiaoshuai Sun , Rongrong Ji , Dacheng Tao

Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

Machine Learning · Computer Science 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

Graph neural networks (GNNs) can process graphs of different sizes, but their ability to generalize across sizes, specifically from small to large graphs, is still not well understood. In this paper, we identify an important type of data…

Machine Learning · Computer Science 2021-07-19 Gilad Yehudai , Ethan Fetaya , Eli Meirom , Gal Chechik , Haggai Maron

Graph anomaly detection (GAD) has attracted increasing attention in recent years for identifying malicious samples in a wide range of graph-based applications, such as social media and e-commerce. However, most GAD methods assume identical…

Machine Learning · Computer Science 2025-09-09 Junjun Pan , Yu Zheng , Yue Tan , Yixin Liu

Graphs are central to modeling complex systems in domains such as social networks, molecular chemistry, and neuroscience. While Graph Neural Networks, particularly Graph Convolutional Networks, have become standard tools for graph learning,…

Machine Learning · Computer Science 2025-11-03 Angelica Liguori , Ettore Ritacco , Pietro Sabatino , Annalisa Socievole

Learning on graphs, where instance nodes are inter-connected, has become one of the central problems for deep learning, as relational structures are pervasive and induce data inter-dependence which hinders trivial adaptation of existing…

Machine Learning · Computer Science 2023-03-10 Qitian Wu , Yiting Chen , Chenxiao Yang , Junchi Yan

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

Signal Processing · Electrical Eng. & Systems 2021-09-01 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

The adversarial robustness of Graph Neural Networks (GNNs) has been questioned due to the false sense of security uncovered by strong adaptive attacks despite the existence of numerous defenses. In this work, we delve into the robustness…

Machine Learning · Computer Science 2024-11-12 Zhichao Hou , Ruiqi Feng , Tyler Derr , Xiaorui Liu

Sharpness-Aware Minimization (SAM) is a recently proposed gradient-based optimizer (Foret et al., ICLR 2021) that greatly improves the prediction performance of deep neural networks. Consequently, there has been a surge of interest in…

Machine Learning · Computer Science 2023-10-24 Yan Dai , Kwangjun Ahn , Suvrit Sra

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

The paper investigates the fundamental convergence properties of Sharpness-Aware Minimization (SAM), a recently proposed gradient-based optimization method [Foret et al., 2021] that significantly improves the generalization of deep neural…

Optimization and Control · Mathematics 2024-10-22 Pham Duy Khanh , Hoang-Chau Luong , Boris S. Mordukhovich , Dat Ba Tran

Handling distribution shifts from training data, known as out-of-distribution (OOD) generalization, poses a significant challenge in the field of machine learning. While a pre-trained vision-language model like CLIP has demonstrated…

Computer Vision and Pattern Recognition · Computer Science 2024-07-04 Bac Nguyen , Stefan Uhlich , Fabien Cardinaux , Lukas Mauch , Marzieh Edraki , Aaron Courville

Graph neural networks (GNNs) have been widely applied in safety-critical applications, such as financial and medical networks, in which compromised predictions may cause catastrophic consequences. While existing research on GNN robustness…

Machine Learning · Computer Science 2025-07-28 Wencheng Zou , Nan Wu

Nonnegative Matrix Factorization (NMF) is a widely applied technique in the fields of machine learning and data mining. Graph Regularized Non-negative Matrix Factorization (GNMF) is an extension of NMF that incorporates graph regularization…

Machine Learning · Computer Science 2024-03-19 Zhen Wang , Wenwen Min

Generalizing to out-of-distribution (OOD) data or unseen domain, termed OOD generalization, still lacks appropriate theoretical guarantees. Canonical OOD bounds focus on different distance measurements between source and target domains but…

Machine Learning · Computer Science 2024-03-12 Yingtian Zou , Kenji Kawaguchi , Yingnan Liu , Jiashuo Liu , Mong-Li Lee , Wynne Hsu

Graph-level anomaly detection aims to identify anomalous graphs or subgraphs within graph datasets, playing a vital role in various fields such as fraud detection, review classification, and biochemistry. While Graph Neural Networks (GNNs)…

Machine Learning · Computer Science 2025-10-10 Liting Li , Yumeng Wang , Yueheng Sun

Graph Neural Networks (GNNs) are powerful deep learning models designed for graph-structured data, demonstrating effectiveness across a wide range of applications.The softmax function is the most commonly used classifier for semi-supervised…

Machine Learning · Computer Science 2024-09-23 Yiming Yang , Jun Liu , Wei Wan