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Graph Neural Networks (GNNs) are state-of-the-art models for performing prediction tasks on graphs. While existing GNNs have shown great performance on various tasks related to graphs, little attention has been paid to the scenario where…

Machine Learning · Computer Science 2023-08-15 Yu Song , Donglin Wang

Accurate routing network status estimation is a key component in Software Defined Networking. However, existing deep-learning-based methods for modeling network routing are not able to extrapolate towards unseen feature distributions. Nor…

Networking and Internet Architecture · Computer Science 2024-04-29 Yifei Jin , Marios Daoutis , Sarunas Girdzijauskas , Aristides Gionis

Graph anomaly detection faces significant challenges due to the scarcity of reliable anomaly-labeled datasets, driving the development of unsupervised methods. Graph autoencoders (GAEs) have emerged as a dominant approach by reconstructing…

Machine Learning · Computer Science 2025-06-03 Chunyu Wei , Wenji Hu , Xingjia Hao , Yunhai Wang , Yueguo Chen , Bing Bai , Fei Wang

Uncertainty estimation is crucial in safety-critical settings such as automated driving as it provides valuable information for several downstream tasks including high-level decision making and path planning. In this work, we propose…

Computer Vision and Pattern Recognition · Computer Science 2023-09-29 Monish R. Nallapareddy , Kshitij Sirohi , Paulo L. J. Drews-Jr , Wolfram Burgard , Chih-Hong Cheng , Abhinav Valada

Classifying nodes in a graph is a common problem. The ideal classifier must adapt to any imbalances in the class distribution. It must also use information in the clustering structure of real-world graphs. Existing Graph Neural Networks…

Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

Graph-based anomaly detection is pivotal in diverse security applications, such as fraud detection in transaction networks and intrusion detection for network traffic. Standard approaches, including Graph Neural Networks (GNNs), often…

Cryptography and Security · Computer Science 2024-10-14 Andy Zhou , Xiaojun Xu , Ramesh Raghunathan , Alok Lal , Xinze Guan , Bin Yu , Bo Li

Graph neural networks have shown remarkable success in exploiting the spatial and temporal patterns on dynamic graphs. However, existing GNNs exhibit poor generalization ability under distribution shifts, which is inevitable in dynamic…

Machine Learning · Computer Science 2025-11-25 Qingyun Sun , Jiayi Luo , Haonan Yuan , Xingcheng Fu , Hao Peng , Jianxin Li , Philip S. Yu

We propose to utilize gradients for detecting adversarial and out-of-distribution samples. We introduce confounding labels -- labels that differ from normal labels seen during training -- in gradient generation to probe the effective…

Machine Learning · Computer Science 2022-07-05 Jinsol Lee , Mohit Prabhushankar , Ghassan AlRegib

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

Machine Learning · Computer Science 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Graph Neural Networks (GNNs) excel in graph-based learning tasks, but their complex, non-linear operations often render them as opaque "black boxes". This opacity hinders user trust, complicates debugging, bias detection, and adoption in…

Artificial Intelligence · Computer Science 2025-11-18 TC Singh , Sougata Mukherjea

Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that…

Artificial Intelligence · Computer Science 2025-03-03 Irtaza Khalid , Steven Schockaert

Graph neural networks can be effectively applied to find solutions for many real-world problems across widely diverse fields. The success of graph neural networks is linked to the message-passing mechanism on the graph, however, the…

Machine Learning · Computer Science 2022-01-06 Yan Pang , Chao Liu

Intrinsic interpretability of graph neural networks (GNNs) is to find a small subset of the input graph's features -- rationale -- which guides the model prediction. Unfortunately, the leading rationalization models often rely on data…

Machine Learning · Computer Science 2022-02-01 Ying-Xin Wu , Xiang Wang , An Zhang , Xiangnan He , Tat-Seng Chua

Accurate quantification of both aleatoric and epistemic uncertainties is essential when deploying Graph Neural Networks (GNNs) in high-stakes applications such as drug discovery and financial fraud detection, where reliable predictions are…

Machine Learning · Computer Science 2025-03-12 Linlin Yu , Kangshuo Li , Pritom Kumar Saha , Yifei Lou , Feng Chen

We aim to dismantle the prevalent black-box neural architectures used in complex visual reasoning tasks, into the proposed eXplainable and eXplicit Neural Modules (XNMs), which advance beyond existing neural module networks towards using…

Computer Vision and Pattern Recognition · Computer Science 2019-03-20 Jiaxin Shi , Hanwang Zhang , Juanzi Li

Recently, Out-of-distribution (OOD) detection in dynamic graphs, which aims to identify whether incoming data deviates from the distribution of the in-distribution (ID) training set, has garnered considerable attention in security-sensitive…

Machine Learning · Computer Science 2025-06-16 Nan Sun , Xixun Lin , Zhiheng Zhou , Yanmin Shang , Zhenlin Cheng , Yanan Cao

Increasing the semantic understanding and contextual awareness of machine learning models is important for improving robustness and reducing susceptibility to data shifts. In this work, we leverage contextual awareness for the anomaly…

Machine Learning · Computer Science 2022-03-22 Nathan Vaska , Kevin Leahy , Victoria Helus

Recent advances in graph convolutional networks have significantly improved the performance of chemical predictions, raising a new research question: "how do we explain the predictions of graph convolutional networks?" A possible approach…

Machine Learning · Computer Science 2018-07-06 Hirotaka Akita , Kosuke Nakago , Tomoki Komatsu , Yohei Sugawara , Shin-ichi Maeda , Yukino Baba , Hisashi Kashima

Current deep learning solutions are well known for not informing whether they can reliably classify an example during inference. One of the most effective ways to build more reliable deep learning solutions is to improve their performance…

Machine Learning · Computer Science 2022-08-09 David Macêdo
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