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Accurate estimation of predictive uncertainty (model calibration) is essential for the safe application of neural networks. Many instances of miscalibration in modern neural networks have been reported, suggesting a trend that newer, more…

Machine Learning · Computer Science 2021-10-27 Matthias Minderer , Josip Djolonga , Rob Romijnders , Frances Hubis , Xiaohua Zhai , Neil Houlsby , Dustin Tran , Mario Lucic

Classical problems in computational physics such as data-driven forecasting and signal reconstruction from sparse sensors have recently seen an explosion in deep neural network (DNN) based algorithmic approaches. However, most DNN models do…

Machine Learning · Computer Science 2023-02-21 Romit Maulik , Romain Egele , Krishnan Raghavan , Prasanna Balaprakash

The widespread adoption of machine learning surrogate models has significantly improved the scale and complexity of systems and processes that can be explored accurately and efficiently using atomistic modeling. However, the inherently…

Chemical Physics · Physics 2025-03-13 Federico Grasselli , Sanggyu Chong , Venkat Kapil , Silvia Bonfanti , Kevin Rossi

Whereas the ability of deep networks to produce useful predictions has been amply demonstrated, estimating the reliability of these predictions remains challenging. Sampling approaches such as MC-Dropout and Deep Ensembles have emerged as…

Machine Learning · Computer Science 2024-05-28 Nikita Durasov , Nik Dorndorf , Hieu Le , Pascal Fua

Prior Networks are a recently developed class of models which yield interpretable measures of uncertainty and have been shown to outperform state-of-the-art ensemble approaches on a range of tasks. They can also be used to distill an…

Machine Learning · Computer Science 2020-12-10 Andrey Malinin , Sergey Chervontsev , Ivan Provilkov , Mark Gales

Surrogate Neural Networks are nowadays routinely used in industry as substitutes for computationally demanding engineering simulations (e.g., in structural analysis). They allow to generate faster predictions and thus analyses in industrial…

Iterative imputation is a popular tool to accommodate missing data. While it is widely accepted that valid inferences can be obtained with this technique, these inferences all rely on algorithmic convergence. There is no consensus on how to…

Computation · Statistics 2021-10-25 Hanne Ida Oberman , Stef van Buuren , Gerko Vink

Real-Time Auction (RTA) Interception aims to filter out invalid or irrelevant traffic to enhance the integrity and reliability of downstream data. However, two key challenges remain: (i) the need for accurate estimation of traffic quality…

Machine Learning · Computer Science 2026-05-04 Gaoxiang Zhao , Ruinan Qiu , Pengpeng Zhao , Rongjin Wang , Xiaoting Wang , Zhangang Lin , Xiaoqiang Wang

We propose to use deep learning to estimate parameters in statistical models when standard likelihood estimation methods are computationally infeasible. We show how to estimate parameters from max-stable processes, where inference is…

Methodology · Statistics 2021-08-02 Amanda Lenzi , Julie Bessac , Johann Rudi , Michael L. Stein

Effective decision making requires understanding the uncertainty inherent in a prediction. In regression, this uncertainty can be estimated by a variety of methods; however, many of these methods are laborious to tune, generate…

Machine Learning · Statistics 2021-12-02 Tianhui Zhou , Yitong Li , Yuan Wu , David Carlson

As the use of Artificial Intelligence (AI) components in cyber-physical systems is becoming more common, the need for reliable system architectures arises. While data-driven models excel at perception tasks, model outcomes are usually not…

Machine Learning · Computer Science 2023-06-01 Janek Groß , Michael Kläs , Lisa Jöckel , Pascal Gerber

Learning a medical image segmentation model is an inherently ambiguous task, as uncertainties exist in both images (noise) and manual annotations (human errors and bias) used for model training. To build a trustworthy image segmentation…

Image and Video Processing · Electrical Eng. & Systems 2023-08-17 Xinyu Bai , Wenjia Bai

Inverse problems play a key role in modern image/signal processing methods. However, since they are generally ill-conditioned or ill-posed due to lack of observations, their solutions may have significant intrinsic uncertainty. Analysing…

Signal Processing · Electrical Eng. & Systems 2019-09-09 Xiaohao Cai , Marcelo Pereyra , Jason D. McEwen

Accurate quantification of model uncertainty has long been recognized as a fundamental requirement for trusted AI. In regression tasks, uncertainty is typically quantified using prediction intervals calibrated to an ad-hoc operating point,…

Machine Learning · Computer Science 2023-10-06 Jiri Navratil , Benjamin Elder , Matthew Arnold , Soumya Ghosh , Prasanna Sattigeri

As machine learning (ML) methods continue to be applied to a broad scope of problems in the physical sciences, uncertainty quantification is becoming correspondingly more important for their robust application. Uncertainty aware machine…

Predictive variability due to data ambiguities has typically been addressed via construction of dedicated models with built-in probabilistic capabilities that are trained to predict uncertainty estimates as variables of interest. These…

Machine Learning · Computer Science 2023-08-04 Katarína Tóthová , Ľubor Ladický , Daniel Thul , Marc Pollefeys , Ender Konukoglu

Recent advances in reconstruction methods for inverse problems leverage powerful data-driven models, e.g., deep neural networks. These techniques have demonstrated state-of-the-art performances for several imaging tasks, but they often do…

Computer Vision and Pattern Recognition · Computer Science 2020-10-20 Riccardo Barbano , Chen Zhang , Simon Arridge , Bangti Jin

Most efforts in interpretability in deep learning have focused on (1) extracting explanations of a specific downstream task in relation to the input features and (2) imposing constraints on the model, often at the expense of predictive…

Machine Learning · Computer Science 2022-02-22 Marco Bertolini , Djork-Arné Clevert , Floriane Montanari

Quantifying uncertainty in weather forecasts is critical, especially for predicting extreme weather events. This is typically accomplished with ensemble prediction systems, which consist of many perturbed numerical weather simulations, or…

Machine Learning · Computer Science 2021-03-17 Peter Grönquist , Chengyuan Yao , Tal Ben-Nun , Nikoli Dryden , Peter Dueben , Shigang Li , Torsten Hoefler

Deep neural networks can be roughly divided into deterministic neural networks and stochastic neural networks.The former is usually trained to achieve a mapping from input space to output space via maximum likelihood estimation for the…

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