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We show that ensembles of deep neural networks, called deep ensembles, can be used to perform quantum parameter estimation while also providing a means for quantifying uncertainty in parameter estimates, which is a key advantage of using…

Quantum Physics · Physics 2026-03-09 Amanuel Anteneh

Deep neural networks are revolutionizing the way complex systems are developed. However, these automatically-generated networks are opaque to humans, making it difficult to reason about them and guarantee their correctness. Here, we propose…

Artificial Intelligence · Computer Science 2020-08-11 Yuval Jacoby , Clark Barrett , Guy Katz

Being uncertain when facing the unknown is key to intelligent decision making. However, machine learning algorithms lack reliable estimates about their predictive uncertainty. This leads to wrong and overly-confident decisions when…

Machine Learning · Computer Science 2021-07-14 Mohamed Ishmael Belghazi , David Lopez-Paz

Deep learning (DL) techniques have achieved great success in predictive accuracy in a variety of tasks, but deep neural networks (DNNs) are shown to produce highly overconfident scores for even abnormal samples. Well-defined uncertainty…

Machine Learning · Computer Science 2021-07-26 Yufei Li , Simin Chen , Wei Yang

The inaccuracy of neural network models on inputs that do not stem from the training data distribution is both problematic and at times unrecognized. Model uncertainty estimation can address this issue, where uncertainty estimates are often…

Machine Learning · Computer Science 2020-02-14 Siddhartha Jain , Ge Liu , Jonas Mueller , David Gifford

Neural networks are used for many real world applications, but often they have problems estimating their own confidence. This is particularly problematic for computer vision applications aimed at making high stakes decisions with humans and…

Computer Vision and Pattern Recognition · Computer Science 2021-04-19 Matias Valdenegro-Toro

Uncertainty quantification is at the core of the reliability and robustness of machine learning. In this paper, we provide a theoretical framework to dissect the uncertainty, especially the \textit{epistemic} component, in deep learning…

Machine Learning · Computer Science 2023-06-21 Ziyi Huang , Henry Lam , Haofeng Zhang

The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather…

Machine Learning · Computer Science 2023-11-09 Vardhan Dongre , Gurpreet Singh Hora

Reliable predictive uncertainty estimation plays an important role in enabling the deployment of neural networks to safety-critical settings. A popular approach for estimating the predictive uncertainty of neural networks is to define a…

Machine Learning · Statistics 2023-12-29 Tim G. J. Rudner , Zonghao Chen , Yee Whye Teh , Yarin Gal

Recent efforts on solving inverse problems in imaging via deep neural networks use architectures inspired by a fixed number of iterations of an optimization method. The number of iterations is typically quite small due to difficulties in…

Image and Video Processing · Electrical Eng. & Systems 2021-06-04 Davis Gilton , Gregory Ongie , Rebecca Willett

Instance segmentation with neural networks is an essential task in environment perception. In many works, it has been observed that neural networks can predict false positive instances with high confidence values and true positives with low…

Computer Vision and Pattern Recognition · Computer Science 2026-01-13 Kira Maag , Matthias Rottmann , Serin Varghese , Fabian Hueger , Peter Schlicht , Hanno Gottschalk

Inverse problems aim to determine model parameters of a mathematical problem from given observational data. Neural networks can provide an efficient tool to solve these problems. In the context of Bayesian inverse problems, Uncertainty…

Numerical Analysis · Mathematics 2025-09-16 Andrea Tonini , Tan Bui-Thanh , Francesco Regazzoni , Luca Dede' , Alfio Quarteroni

Statistical learning algorithms provide a generally-applicable framework to sidestep time-consuming experiments, or accurate physics-based modeling, but they introduce a further source of error on top of the intrinsic limitations of the…

Chemical Physics · Physics 2024-05-17 Matthias Kellner , Michele Ceriotti

In recent years, machine learning has witnessed extensive adoption across various sectors, yet its application in medical image-based disease detection and diagnosis remains challenging due to distribution shifts in real-world data. In…

Machine Learning · Computer Science 2024-02-13 Masoumeh Javanbakhat , Md Tasnimul Hasan , Cristoph Lippert

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

We propose a new method that uses deep learning techniques to solve the inverse problems. The inverse problem is cast in the form of learning an end-to-end mapping from observed data to the ground-truth. Inspired by the splitting strategy…

Computer Vision and Pattern Recognition · Computer Science 2017-12-04 Kai Fan , Qi Wei , Wenlin Wang , Amit Chakraborty , Katherine Heller

While generative models have become increasingly prevalent across various domains, fundamental concerns regarding their reliability persist. A crucial yet understudied aspect of these models is the uncertainty quantification surrounding…

Machine Learning · Computer Science 2025-11-17 Giorgio Morales , Frederic Jurie , Jalal Fadili

Research in neural networks in the field of computer vision has achieved remarkable accuracy for point estimation. However, the uncertainty in the estimation is rarely addressed. Uncertainty quantification accompanied by point estimation…

Computer Vision and Pattern Recognition · Computer Science 2020-04-23 Min-hwan Oh , Peder A. Olsen , Karthikeyan Natesan Ramamurthy

In this paper, we leverage predictive uncertainty of deep neural networks to answer challenging questions material scientists usually encounter in machine learning based materials applications workflows. First, we show that by leveraging…

Materials Science · Physics 2021-04-26 Jize Zhang , Bhavya Kailkhura , T. Yong-Jin Han

We proposed a framework for solving inverse problems in differential equations based on neural networks and automatic differentiation. Neural networks are used to approximate hidden fields. We analyze the source of errors in the framework…

Numerical Analysis · Mathematics 2024-12-20 Kailai Xu , Eric Darve
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