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Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material…

Machine Learning · Computer Science 2024-08-27 Joseph Musielewicz , Janice Lan , Matt Uyttendaele , John R. Kitchin

We propose two bounded comparison metrics that may be implemented to arbitrary dimensions in regression tasks. One quantifies the structure of uncertainty and the other quantifies the distribution of uncertainty. The structure metric…

Machine Learning · Computer Science 2022-03-10 Ethan Pickering , Themistoklis P. Sapsis

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

Many techniques have been developed, such as model compression, to make Deep Neural Networks (DNNs) inference more efficiently. Nevertheless, DNNs still lack excellent run-time dynamic inference capability to enable users trade-off accuracy…

Computer Vision and Pattern Recognition · Computer Science 2020-09-15 Li Yang , Zhezhi He , Yu Cao , Deliang Fan

Traditional deep neural nets (NNs) have shown the state-of-the-art performance in the task of classification in various applications. However, NNs have not considered any types of uncertainty associated with the class probabilities to…

Machine Learning · Computer Science 2019-10-16 Xujiang Zhao , Yuzhe Ou , Lance Kaplan , Feng Chen , Jin-Hee Cho

Deep Learning is becoming an increasingly important way to produce accurate hydrological predictions across a wide range of spatial and temporal scales. Uncertainty estimations are critical for actionable hydrological forecasting, and while…

Estimating and disentangling epistemic uncertainty, uncertainty that is reducible with more training data, and aleatoric uncertainty, uncertainty that is inherent to the task at hand, is critically important when applying machine learning…

Machine Learning · Computer Science 2024-11-08 Matthew A. Chan , Maria J. Molina , Christopher A. Metzler

As deep learning-based computer vision algorithms continue to advance the state of the art, their robustness to real-world data continues to be an issue, making it difficult to bring an algorithm from the lab to the real world.…

Computer Vision and Pattern Recognition · Computer Science 2024-09-10 Michael Smith , Frank Ferrie

Weather forecasting is usually solved through numerical weather prediction (NWP), which can sometimes lead to unsatisfactory performance due to inappropriate setting of the initial states. In this paper, we design a data-driven method…

Machine Learning · Computer Science 2019-02-05 Bin Wang , Jie Lu , Zheng Yan , Huaishao Luo , Tianrui Li , Yu Zheng , Guangquan Zhang

Bayesian neural networks and deep ensembles represent two modern paradigms of uncertainty quantification in deep learning. Yet these approaches struggle to scale mainly due to memory inefficiency issues, since they require parameter storage…

Machine Learning · Statistics 2021-11-24 Hippolyt Ritter , Martin Kukla , Cheng Zhang , Yingzhen Li

The estimation of 6D object poses is a fundamental task in many computer vision applications. Particularly, in high risk scenarios such as human-robot interaction, industrial inspection, and automation, reliable pose estimates are crucial.…

Computer Vision and Pattern Recognition · Computer Science 2024-05-03 Kira Wursthorn , Markus Hillemann , Markus Ulrich

We tackle the problem of unsupervised visual descriptors compression, which is a key ingredient of large-scale image retrieval systems. While the deep learning machinery has benefited literally all computer vision pipelines, the existing…

Machine Learning · Computer Science 2019-08-13 Stanislav Morozov , Artem Babenko

Estimating the uncertainty in deep neural network predictions is crucial for many real-world applications. A common approach to model uncertainty is to choose a parametric distribution and fit the data to it using maximum likelihood…

Machine Learning · Computer Science 2022-11-28 Ali Harakeh , Jordan Hu , Naiqing Guan , Steven L. Waslander , Liam Paull

Robust quantification of predictive uncertainty is critical for understanding factors that drive weather and climate outcomes. Ensembles provide predictive uncertainty estimates and can be decomposed physically, but both physics and machine…

Bayesian Neural Networks (BNNs) offer a principled and natural framework for proper uncertainty quantification in the context of deep learning. They address the typical challenges associated with conventional deep learning methods, such as…

Computation · Statistics 2024-11-13 Zahra Moslemi , Yang Meng , Shiwei Lan , Babak Shahbaba

Existing methods for estimating uncertainty in deep learning tend to require multiple forward passes, making them unsuitable for applications where computational resources are limited. To solve this, we perform probabilistic reasoning over…

Machine Learning · Statistics 2020-12-08 Javier Antorán , James Urquhart Allingham , José Miguel Hernández-Lobato

In this study, we explore in depth a few under-studied topics at the intersection of uncertainty estimation and segmentation. Prior work has shown that the quality of uncertainty estimates can be very sensitive to a range of variables. As…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Michael Smith , Frank P. Ferrie

Objective: Convolutional neural networks (CNNs) have demonstrated promise in automated cardiac magnetic resonance image segmentation. However, when using CNNs in a large real-world dataset, it is important to quantify segmentation…

Image and Video Processing · Electrical Eng. & Systems 2023-01-02 Matthew Ng , Fumin Guo , Labonny Biswas , Steffen E. Petersen , Stefan K. Piechnik , Stefan Neubauer , Graham Wright

Traditional deep learning (DL) models are powerful classifiers, but many approaches do not provide uncertainties for their estimates. Uncertainty quantification (UQ) methods for DL models have received increased attention in the literature…

Machine Learning · Computer Science 2023-08-14 Daniel Ries , Joshua Michalenko , Tyler Ganter , Rashad Imad-Fayez Baiyasi , Jason Adams

Deep unrolling is an emerging deep learning-based image reconstruction methodology that bridges the gap between model-based and purely deep learning-based image reconstruction methods. Although deep unrolling methods achieve…

Image and Video Processing · Electrical Eng. & Systems 2022-12-21 Canberk Ekmekci , Mujdat Cetin