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Given the importance of getting calibrated predictions and reliable uncertainty estimations, various post-hoc calibration methods have been developed for neural networks on standard multi-class classification tasks. However, these methods…

Machine Learning · Computer Science 2022-10-13 Hans Hao-Hsun Hsu , Yuesong Shen , Christian Tomani , Daniel Cremers

Graph Neural Networks deliver strong classification results but often suffer from poor calibration performance, leading to overconfidence or underconfidence. This is particularly problematic in high stakes applications where accurate…

Machine Learning · Computer Science 2025-03-03 Dingyi Zhuang , Chonghe Jiang , Yunhan Zheng , Shenhao Wang , Jinhua Zhao

Despite Graph Neural Networks (GNNs) have achieved remarkable accuracy, whether the results are trustworthy is still unexplored. Previous studies suggest that many modern neural networks are over-confident on the predictions, however,…

Machine Learning · Computer Science 2022-01-05 Xiao Wang , Hongrui Liu , Chuan Shi , Cheng Yang

Graphs can model real-world, complex systems by representing entities and their interactions in terms of nodes and edges. To better exploit the graph structure, graph neural networks have been developed, which learn entity and edge…

Machine Learning · Computer Science 2022-06-06 Tong Liu , Yushan Liu , Marcel Hildebrandt , Mitchell Joblin , Hang Li , Volker Tresp

The prediction reliability of neural networks is important in many applications. Specifically, in safety-critical domains, such as cancer prediction or autonomous driving, a reliable confidence of model's prediction is critical for the…

Computer Vision and Pattern Recognition · Computer Science 2019-09-24 Byeongmoon Ji , Hyemin Jung , Jihyeun Yoon , Kyungyul Kim , Younghak Shin

It is now well known that neural networks can be wrong with high confidence in their predictions, leading to poor calibration. The most common post-hoc approach to compensate for this is to perform temperature scaling, which adjusts the…

Computer Vision and Pattern Recognition · Computer Science 2022-07-25 Tom Joy , Francesco Pinto , Ser-Nam Lim , Philip H. S. Torr , Puneet K. Dokania

Graph attention networks learn neighbor importance through data-dependent coefficients, but standard layers lack explicit control over unreliable feature dimensions and use fixed sharpness of attention coefficient distributions. This paper…

Machine Learning · Computer Science 2026-05-29 Zhongtian Ma , Hao Wu , Yexin Zhang , Qiaosheng Zhang , Zhen Wang

Recently, Deep Neural Networks (DNNs) have been achieving impressive results on wide range of tasks. However, they suffer from being well-calibrated. In decision-making applications, such as autonomous driving or medical diagnosing, the…

Machine Learning · Computer Science 2019-05-10 Azadeh Sadat Mozafari , Hugo Siqueira Gomes , Wilson Leão , Steeven Janny , Christian Gagné

With the ever-growing size of real-world graphs, numerous techniques to overcome resource limitations when training Graph Neural Networks (GNNs) have been developed. One such approach, GNNAutoScale (GAS), uses graph partitioning to enable…

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

Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore…

Machine Learning · Computer Science 2021-10-26 Liheng Ma , Reihaneh Rabbany , Adriana Romero-Soriano

Accurate uncertainty quantification in graph neural networks (GNNs) is essential, especially in high-stakes domains where GNNs are frequently employed. Conformal prediction (CP) offers a promising framework for quantifying uncertainty by…

Machine Learning · Computer Science 2023-12-06 Seohyeon Cha , Honggu Kang , Joonhyuk Kang

Spectral-based graph neural networks (SGNNs) have been attracting increasing attention in graph representation learning. However, existing SGNNs are limited in implementing graph filters with rigid transforms (e.g., graph Fourier or…

Machine Learning · Computer Science 2022-01-05 Mingxing Xu , Wenrui Dai , Chenglin Li , Junni Zou , Hongkai Xiong , Pascal Frossard

We address the problem of uncertainty calibration and introduce a novel calibration method, Parametrized Temperature Scaling (PTS). Standard deep neural networks typically yield uncalibrated predictions, which can be transformed into…

Machine Learning · Computer Science 2022-09-20 Christian Tomani , Daniel Cremers , Florian Buettner

Continual Learning (CL) is recently gaining increasing attention for its ability to enable a single model to learn incrementally from a sequence of new classes. In this scenario, it is important to keep consistent predictive performance…

Machine Learning · Computer Science 2025-09-26 Giuseppe Serra , Florian Buettner

Computational intelligence-based ocean characteristics forecasting applications, such as Significant Wave Height (SWH) prediction, are crucial for avoiding social and economic loss in coastal cities. Compared to the traditional…

Machine Learning · Computer Science 2021-07-21 Delong Chen , Fan Liu , Zheqi Zhang , Xiaomin Lu , Zewen Li

Current graph neural networks (GNNs) that tackle node classification on graphs tend to only focus on nodewise scores and are solely evaluated by nodewise metrics. This limits uncertainty estimation on graphs since nodewise marginals do not…

Machine Learning · Computer Science 2022-10-28 Hans Hao-Hsun Hsu , Yuesong Shen , Daniel Cremers

We present a series of modifications which improve upon Graph WaveNet's previously state-of-the-art performance on the METR-LA traffic prediction task. The goal of this task is to predict the future speed of traffic at each sensor in a…

Signal Processing · Electrical Eng. & Systems 2019-12-17 Sam Shleifer , Clara McCreery , Vamsi Chitters

Deep neural networks are notoriously miscalibrated, i.e., their outputs do not reflect the true probability of the event we aim to predict. While networks for tabular or image data are usually overconfident, recent works have shown that…

Machine Learning · Computer Science 2024-03-11 Erik Nascimento , Diego Mesquita , Samuel Kaski , Amauri H Souza

Graph Neural Networks (GNNs) show strong expressive power on graph data mining, by aggregating information from neighbors and using the integrated representation in the downstream tasks. The same aggregation methods and parameters for each…

Machine Learning · Computer Science 2022-03-22 Xiaojun Ma , Qin Chen , Yuanyi Ren , Guojie Song , Liang Wang
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