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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

Uncertainty quantification for image data is dominated by complex deep learning methods, yet the field lacks an interpretable, mathematically grounded baseline. We propose Bayesian scattering to fill this gap, serving as a first-step…

Machine Learning · Computer Science 2026-03-24 Bernardo Fichera , Zarko Ivkovic , Kjell Jorner , Philipp Hennig , Viacheslav Borovitskiy

Aleatoric uncertainty captures the inherent randomness of the data, such as measurement noise. In Bayesian regression, we often use a Gaussian observation model, where we control the level of aleatoric uncertainty with a noise variance…

Machine Learning · Computer Science 2022-03-31 Sanyam Kapoor , Wesley J. Maddox , Pavel Izmailov , Andrew Gordon Wilson

We introduce a novel uncertainty estimation for classification tasks for Bayesian convolutional neural networks with variational inference. By normalizing the output of a Softplus function in the final layer, we estimate aleatoric and…

Machine Learning · Computer Science 2019-05-15 Kumar Shridhar , Felix Laumann , Marcus Liwicki

As Large Language Models (LLMs) are increasingly integrated in diverse applications, obtaining reliable measures of their predictive uncertainty has become critically important. A precise distinction between aleatoric uncertainty, arising…

The usual figure of merit characterizing the performance of neural networks applied to problems in the quantum domain is their accuracy, being the probability of a correct answer on a previously unseen input. Here we append this parameter…

Quantum Physics · Physics 2022-12-29 Jan Wasilewski , Tomasz Paterek , Karol Horodecki

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

Predictions made by deep learning models are prone to data perturbations, adversarial attacks, and out-of-distribution inputs. To build a trusted AI system, it is therefore critical to accurately quantify the prediction uncertainties. While…

Machine Learning · Computer Science 2023-04-12 Hanjing Wang , Dhiraj Joshi , Shiqiang Wang , Qiang Ji

Deep Learning models are vulnerable to adversarial examples, i.e.\ images obtained via deliberate imperceptible perturbations, such that the model misclassifies them with high confidence. However, class confidence by itself is an incomplete…

Machine Learning · Statistics 2017-11-23 Ambrish Rawat , Martin Wistuba , Maria-Irina Nicolae

Automatic classification of diabetic retinopathy from retinal images has been widely studied using deep neural networks with impressive results. However, there is a clinical need for estimation of the uncertainty in the classifications, a…

Computer Vision and Pattern Recognition · Computer Science 2022-02-03 Joel Jaskari , Jaakko Sahlsten , Theodoros Damoulas , Jeremias Knoblauch , Simo Särkkä , Leo Kärkkäinen , Kustaa Hietala , Kimmo Kaski

Supporting model interpretability for complex phenomena where annotators can legitimately disagree, such as emotion recognition, is a challenging machine learning task. In this work, we show that explicitly quantifying the uncertainty in…

Machine Learning · Computer Science 2019-10-08 Asma Ghandeharioun , Brian Eoff , Brendan Jou , Rosalind W. Picard

Deep neural networks have significantly contributed to the success in predictive accuracy for classification tasks. However, they tend to make over-confident predictions in real-world settings, where domain shifting and out-of-distribution…

Artificial Intelligence · Computer Science 2021-07-16 Yibo Hu , Latifur Khan

Automated medical image segmentation, specifically using deep learning, has shown outstanding performance in semantic segmentation tasks. However, these methods rarely quantify their uncertainty, which may lead to errors in downstream…

Computer Vision and Pattern Recognition · Computer Science 2018-06-25 Zach Eaton-Rosen , Felix Bragman , Sotirios Bisdas , Sebastien Ourselin , M. Jorge Cardoso

In this paper we propose a novel method which leverages the uncertainty measures provided by Bayesian deep networks through curriculum learning so that the uncertainty estimates are fed back to the system to resample the training data more…

Computer Vision and Pattern Recognition · Computer Science 2021-08-27 Sora Iwamoto , Bisser Raytchev , Toru Tamaki , Kazufumi Kaneda

Attention mechanism is effective in both focusing the deep learning models on relevant features and interpreting them. However, attentions may be unreliable since the networks that generate them are often trained in a weakly-supervised…

Machine Learning · Statistics 2020-06-11 Jay Heo , Hae Beom Lee , Saehoon Kim , Juho Lee , Kwang Joon Kim , Eunho Yang , Sung Ju Hwang

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…

Modern neural networks have found to be miscalibrated in terms of confidence calibration, i.e., their predicted confidence scores do not reflect the observed accuracy or precision. Recent work has introduced methods for post-hoc confidence…

Computer Vision and Pattern Recognition · Computer Science 2021-09-22 Fabian Küppers , Jan Kronenberger , Jonas Schneider , Anselm Haselhoff

Accurate estimation of uncertainty in deep learning is critical for deploying models in high-stakes domains such as medical diagnosis and autonomous decision-making, where overconfident predictions can lead to harmful outcomes. In practice,…

Machine Learning · Computer Science 2026-03-12 Xinran Xu , Xiuyi Fan

Typical active learning strategies are designed for tasks, such as classification, with the assumption that the output space is mutually exclusive. The assumption that these tasks always have exactly one correct answer has resulted in the…

Computer Vision and Pattern Recognition · Computer Science 2019-12-10 Khaled Jedoui , Ranjay Krishna , Michael Bernstein , Li Fei-Fei

This book chapter introduces the principles and practical applications of uncertainty quantification in machine learning. It explains how to identify and distinguish between different types of uncertainty and presents methods for…

Machine Learning · Computer Science 2025-10-08 Hans Weytjens , Wouter Verbeke
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