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Ensembles of neural networks achieve superior performance compared to stand-alone networks in terms of accuracy, uncertainty calibration and robustness to dataset shift. \emph{Deep ensembles}, a state-of-the-art method for uncertainty…

Machine Learning · Computer Science 2022-02-23 Sheheryar Zaidi , Arber Zela , Thomas Elsken , Chris Holmes , Frank Hutter , Yee Whye Teh

Techniques for understanding the functioning of complex machine learning models are becoming increasingly popular, not only to improve the validation process, but also to extract new insights about the data via exploratory analysis. Though…

Machine Learning · Statistics 2018-11-02 Jayaraman J. Thiagarajan , Irene Kim , Rushil Anirudh , Peer-Timo Bremer

Deep learning is gaining increasing popularity for spatiotemporal forecasting. However, prior works have mostly focused on point estimates without quantifying the uncertainty of the predictions. In high stakes domains, being able to…

Artificial Intelligence · Computer Science 2021-06-15 Dongxia Wu , Liyao Gao , Xinyue Xiong , Matteo Chinazzi , Alessandro Vespignani , Yi-An Ma , Rose Yu

Deep neural networks (DNNs) are often coupled with physics-based models or data-driven surrogate models to perform fault detection and health monitoring of systems in the low data regime. These models serve as digital twins to generate…

Machine Learning · Computer Science 2023-03-21 Laya Das , Blazhe Gjorgiev , Giovanni Sansavini

Uncertainty quantification (UQ) in deep learning regression is of wide interest, as it supports critical applications including sequential decision making and risk-sensitive tasks. In heteroskedastic regression, where the uncertainty of the…

Machine Learning · Computer Science 2026-03-03 Mikkel Jordahn , Jonas Vestergaard Jensen , James Harrison , Michael Riis Andersen , Mikkel N. Schmidt

Uncertainty Quantification (UQ) is crucial for ensuring the reliability of machine learning models deployed in real-world autonomous systems. However, existing approaches typically quantify task-level output prediction uncertainty without…

Computer Vision and Pattern Recognition · Computer Science 2025-03-27 Luke Chen , Junyao Wang , Trier Mortlock , Pramod Khargonekar , Mohammad Abdullah Al Faruque

Clinical decision requires reasoning in the presence of imperfect data. DTs are a well-known decision support tool, owing to their interpretability, fundamental in safety-critical contexts such as medical diagnosis. However, learning DTs…

Generating high quality uncertainty estimates for sequential regression, particularly deep recurrent networks, remains a challenging and open problem. Existing approaches often make restrictive assumptions (such as stationarity) yet still…

Machine Learning · Computer Science 2021-07-26 Jiri Navratil , Matthew Arnold , Benjamin Elder

Aligning structured data is a fundamental problem in computer vision and machine learning, underlying tasks such as time series analysis, human action recognition, and visual representation learning. Existing alignment methods, including…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Lei Wang , Syuan-Hao Li , Yongsheng Gao , Piotr Koniusz

We present a new method for uncertainty estimation and out-of-distribution detection in neural networks with softmax output. We extend softmax layer with an additional constant input. The corresponding additional output is able to represent…

Machine Learning · Computer Science 2019-04-09 Marcin Możejko , Mateusz Susik , Rafał Karczewski

Recently Shah et al., 2020 pointed out the pitfalls of the simplicity bias - the tendency of gradient-based algorithms to learn simple models - which include the model's high sensitivity to small input perturbations, as well as sub-optimal…

Machine Learning · Computer Science 2022-03-02 Matteo Pagliardini , Gilberto Manunza , Martin Jaggi , Michael I. Jordan , Tatjana Chavdarova

In this paper, we approach the problem of uncertainty quantification in deep learning through a predictive framework, which captures uncertainty in model parameters by specifying our assumptions about the predictive distribution of unseen…

Machine Learning · Statistics 2024-03-20 Luhuan Wu , Sinead Williamson

Reliable uncertainty estimates are crucial in modern machine learning. Deep Gaussian Processes (DGPs) and Deep Sigma Point Processes (DSPPs) extend GPs hierarchically, offering promising methods for uncertainty quantification grounded in…

Machine Learning · Statistics 2025-04-25 Matthijs van der Lende , Jeremias Lino Ferrao , Niclas Müller-Hof

The inputs of deep neural network (DNN) from real-world data usually come with uncertainties. Yet, it is challenging to propagate the uncertainty in the input features to the DNN predictions at a low computational cost. This work employs a…

Machine Learning · Statistics 2020-01-14 Weiqi Ji , Zhuyin Ren , Chung K. Law

Deep-learning-based data-driven forecasting methods have produced impressive results for traffic forecasting. A major limitation of these methods, however, is that they provide forecasts without estimates of uncertainty, which are critical…

Machine Learning · Computer Science 2022-04-07 Tanwi Mallick , Prasanna Balaprakash , Jane Macfarlane

Graph Neural Networks (GNNs) have emerged as a prominent class of data-driven methods for molecular property prediction. However, a key limitation of typical GNN models is their inability to quantify uncertainties in the predictions. This…

Machine Learning · Computer Science 2024-07-02 Shengli Jiang , Shiyi Qin , Reid C. Van Lehn , Prasanna Balaprakash , Victor M. Zavala

Uncertainty estimation is a crucial aspect of deploying dependable deep learning models in safety-critical systems. In this study, we introduce a novel and efficient method for deterministic uncertainty estimation called Discriminant…

Machine Learning · Computer Science 2024-02-21 Jiaxin Zhang , Kamalika Das , Sricharan Kumar

Dynamic feature selection (DFS) addresses budget constraints in decision-making by sequentially acquiring features for each instance, making it appealing for resource-limited scenarios. However, existing DFS methods require models…

Machine Learning · Computer Science 2026-02-19 Javier Fumanal-Idocin , Raquel Fernandez-Peralta , Javier Andreu-Perez

Test Input Prioritizers (TIP) for Deep Neural Networks (DNN) are an important technique to handle the typically very large test datasets efficiently, saving computation and labeling costs. This is particularly true for large-scale, deployed…

Machine Learning · Computer Science 2022-05-25 Michael Weiss , Paolo Tonella

Deep neural networks (DNN) are versatile parametric models utilised successfully in a diverse number of tasks and domains. However, they have limitations---particularly from their lack of robustness and over-sensitivity to out of…

Machine Learning · Statistics 2020-01-01 John Mitros , Brian Mac Namee
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