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When employing deep neural networks (DNNs) for semantic segmentation in safety-critical applications like automotive perception or medical imaging, it is important to estimate their performance at runtime, e.g. via uncertainty estimates or…

Computer Vision and Pattern Recognition · Computer Science 2024-09-18 Edgar Heinert , Stephan Tilgner , Timo Palm , Matthias Rottmann

Recent research on graph neural networks (GNNs) has explored mechanisms for capturing local uncertainty and exploiting graph hierarchies to mitigate data sparsity and leverage structural properties. However, the synergistic integration of…

Machine Learning · Computer Science 2025-05-06 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

Node classification is the task of predicting the labels of unlabeled nodes in a graph. State-of-the-art methods based on graph neural networks achieve excellent performance when all labels are available during training. But in real-life,…

Machine Learning · Computer Science 2023-08-11 Qin Zhang , Zelin Shi , Xiaolin Zhang , Xiaojun Chen , Philippe Fournier-Viger , Shirui Pan

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

Quantitative Methods · Quantitative Biology 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

Identifying critical nodes and links in graphs is a crucial task. These nodes/links typically represent critical elements/communication links that play a key role in a system's performance. However, a majority of the methods available in…

Social and Information Networks · Computer Science 2022-05-31 Sai Munikoti , Laya Das , Balasubramaniam Natarajan

Graph Neural Networks (GNNs) have been widely applied in the semi-supervised node classification task, where a key point lies in how to sufficiently leverage the limited but valuable label information. Most of the classical GNNs solely use…

Machine Learning · Computer Science 2022-12-26 Le Yu , Leilei Sun , Bowen Du , Tongyu Zhu , Weifeng Lv

Homophily principle, i.e., nodes with the same labels are more likely to be connected, has been believed to be the main reason for the performance superiority of Graph Neural Networks (GNNs) over Neural Networks on node classification…

Social and Information Networks · Computer Science 2024-01-03 Sitao Luan , Chenqing Hua , Minkai Xu , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Jie Fu , Jure Leskovec , Doina Precup

Graph Neural Networks (GNNs) have become a prominent approach for learning from graph-structured data. However, their effectiveness can be significantly compromised when the graph structure is suboptimal. To address this issue, Graph…

Machine Learning · Computer Science 2025-02-20 Shen Han , Zhiyao Zhou , Jiawei Chen , Zhezheng Hao , Sheng Zhou , Gang Wang , Yan Feng , Chun Chen , Can Wang

Graph neural networks for molecular property prediction are frequently underspecified by data and fail to generalise to new scaffolds at test time. A potential solution is Bayesian learning, which can capture our uncertainty in the model…

Biomolecules · Quantitative Biology 2020-12-04 George Lamb , Brooks Paige

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN…

Machine Learning · Computer Science 2022-12-20 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang

Attributed networks nowadays are ubiquitous in a myriad of high-impact applications, such as social network analysis, financial fraud detection, and drug discovery. As a central analytical task on attributed networks, node classification…

Machine Learning · Computer Science 2020-11-30 Kaize Ding , Jianling Wang , Jundong Li , Kai Shu , Chenghao Liu , Huan Liu

Graph neural networks (GNNs) have achieved great success in many scenarios with graph-structured data. However, in many real applications, there are three issues when applying GNNs: graphs are unknown, nodes have noisy features, and graphs…

Machine Learning · Computer Science 2022-10-11 Yixiang Shan , Jielong Yang , Xing Liu , Yixing Gao , Hechang Chen , Shuzhi Sam Ge

Learning community structures in graphs has broad applications across scientific domains. While graph neural networks (GNNs) have been successful in encoding graph structures, existing GNN-based methods for community detection are limited…

Machine Learning · Statistics 2024-08-05 Yueqi Wang , Yoonho Lee , Pallab Basu , Juho Lee , Yee Whye Teh , Liam Paninski , Ari Pakman

With the widespread use of Graph Neural Networks (GNNs) for representation learning from network data, the fairness of GNN models has raised great attention lately. Fair GNNs aim to ensure that node representations can be accurately…

Social and Information Networks · Computer Science 2024-10-23 Guixian Zhang , Guan Yuan , Debo Cheng , Lin Liu , Jiuyong Li , Shichao Zhang

Graph Neural Networks (GNNs) have achieved state-of-the-art results for semi-supervised node classification on graphs. Nevertheless, the challenge of how to effectively learn GNNs with very few labels is still under-explored. As one of the…

Machine Learning · Computer Science 2022-01-21 Yayong Li , Jie Yin , Ling Chen

Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to be the main reason for the superiority of Graph Neural Networks (GNNs) over traditional Neural…

Bayesian inference is used extensively to quantify the uncertainty in an inferred field given the measurement of a related field when the two are linked by a mathematical model. Despite its many applications, Bayesian inference faces…

Machine Learning · Statistics 2020-03-31 Dhruv V. Patel , Assad A. Oberai

Graph Neural Networks have achieved impressive results across diverse network modeling tasks, but accurately estimating uncertainty on graphs remains difficult, especially under distributional shifts. Unlike traditional uncertainty…

Machine Learning · Computer Science 2025-10-15 Fred Xu , Thomas Markovich

Most Graph Neural Networks (GNNs) cannot distinguish some graphs or indeed some pairs of nodes within a graph. This makes it impossible to solve certain classification tasks. However, adding additional node features to these models can…

Machine Learning · Computer Science 2022-09-20 Beni Egressy , Roger Wattenhofer
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