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Goodness-of-fit tests based on the Euclidean distance often outperform chi-square and other classical tests (including the standard exact tests) by at least an order of magnitude when the model being tested for goodness-of-fit is a discrete…

Methodology · Statistics 2024-04-09 William Perkins , Mark Tygert , Rachel Ward

Knowing when a classifier's prediction can be trusted is useful in many applications and critical for safely using AI. While the bulk of the effort in machine learning research has been towards improving classifier performance,…

Machine Learning · Statistics 2018-10-30 Heinrich Jiang , Been Kim , Melody Y. Guan , Maya Gupta

Machine learning models deployed in real-world applications are often evaluated with precision-based metrics such as F1-score or AUC-PR (Area Under the Curve of Precision Recall). Heavily dependent on the class prior, such metrics make it…

Machine Learning · Computer Science 2020-04-29 Wissam Siblini , Jordan Fréry , Liyun He-Guelton , Frédéric Oblé , Yi-Qing Wang

In the context of Monte Carlo (MC) simulation of particle transport Uncertainty Quantification (UQ) addresses the issue of predicting non statistical errors affecting the physical results, i.e. errors deriving mainly from uncertainties in…

Computational Physics · Physics 2015-06-18 Paolo Saracco , Maria Grazia Pia

Uncertainty quantification (UQ) plays a pivotal role in reduction of uncertainties during both optimization and decision making processes. It can be applied to solve a variety of real-world applications in science and engineering. Bayesian…

Uncertainty quantification (UQ) in computational chemistry (CC) is still in its infancy. Very few CC methods are designed to provide a confidence level on their predictions, and most users still rely improperly on the mean absolute error as…

Chemical Physics · Physics 2022-03-21 Pascal Pernot

A lot of effort is currently invested in safeguarding autonomous driving systems, which heavily rely on deep neural networks for computer vision. We investigate the coupling of different neural network calibration measures with a special…

Computer Vision and Pattern Recognition · Computer Science 2024-07-22 Dominik Werner Wolf , Prasannavenkatesh Balaji , Alexander Braun , Markus Ulrich

Despite the increasing demand for safer machine learning practices, the use of Uncertainty Quantification (UQ) methods in production remains limited. This limitation is exacerbated by the challenge of validating UQ methods in absence of UQ…

Machine Learning · Computer Science 2025-03-03 Arthur Pignet , Chiara Regniez , John Klein

Reliable uncertainty estimation is critical for deploying neural networks (NNs) in real-world applications. While existing calibration techniques often rely on post-hoc adjustments or coarse-grained binning methods, they remain limited in…

Machine Learning · Computer Science 2025-05-30 Pedro Mendes , Paolo Romano , David Garlan

Virtual experiments (VEs), a modern tool in metrology, can be used to help perform an uncertainty evaluation for the measurand. Current guidelines in metrology do not cover the many possibilities to incorporate VEs into an uncertainty…

Applications · Statistics 2024-04-18 Finn Hughes , Manuel Marschall , Gerd Wübbeler , Gertjan Kok , Marcel van Dijk , Clemens Elster

Profile likelihood provides a general framework to infer on a scalar parameter of a statistical model. A confidence interval is obtained by numerically finding the two abscissas where the profile log-likelihood curve intersects an…

Computation · Statistics 2024-04-04 Yves Deville

A probability forecast or probabilistic classifier is reliable or calibrated if the predicted probabilities are matched by ex post observed frequencies, as examined visually in reliability diagrams. The classical binning and counting…

Methodology · Statistics 2021-08-26 Timo Dimitriadis , Tilmann Gneiting , Alexander I. Jordan

In a Bayesian setting, inverse problems and uncertainty quantification (UQ) - the propagation of uncertainty through a computational (forward) model - are strongly connected. In the form of conditional expectation the Bayesian update…

Numerical Analysis · Mathematics 2014-04-09 Alexander Litvinenko , Hermann G. Matthies

Uncertainty quantification (UQ) is a critical aspect of artificial intelligence (AI) systems, particularly in high-risk domains such as healthcare, autonomous systems, and financial technology, where decision-making processes must account…

We aim to quantitatively measure the practical usability of medical image segmentation models: to what extent, how often, and on which samples a model's predictions can be used/trusted. We first propose a measure, Correctness-Confidence…

Image and Video Processing · Electrical Eng. & Systems 2022-07-04 Yizhe Zhang , Suraj Mishra , Peixian Liang , Hao Zheng , Danny Z. Chen

Assessing the quality of aleatoric uncertainty estimates from uncertainty quantification (UQ) deep learning methods is important in scientific contexts, where uncertainty is physically meaningful and important to characterize and interpret…

Machine Learning · Computer Science 2024-11-14 Rebecca Nevin , Aleksandra Ćiprijanović , Brian D. Nord

Probability predictions from binary regressions or machine learning methods ought to be calibrated: If an event is predicted to occur with probability $x$, it should materialize with approximately that frequency, which means that the…

Statistics Theory · Mathematics 2023-01-11 Timo Dimitriadis , Lutz Duembgen , Alexander Henzi , Marius Puke , Johanna Ziegel

To build robust, fair, and safe AI systems, we would like our classifiers to say ``I don't know'' when facing test examples that are difficult or fall outside of the training classes.The ubiquitous strategy to predict under uncertainty is…

Machine Learning · Statistics 2024-01-22 Kamalika Chaudhuri , David Lopez-Paz

Deployed language models must decide not only what to answer but also when not to answer. We present UniCR, a unified framework that turns heterogeneous uncertainty evidence including sequence likelihoods, self-consistency dispersion,…

Computation and Language · Computer Science 2025-12-30 Markus Oehri , Giulia Conti , Kaviraj Pather , Alexandre Rossi , Laia Serra , Adrian Parody , Rogvi Johannesen , Aviaja Petersen , Arben Krasniqi

We evaluate uncertainty quantification (UQ) methods for deep learning applied to liquid argon time projection chamber (LArTPC) physics analysis tasks. As deep learning applications enter widespread usage among physics data analysis, neural…

High Energy Physics - Experiment · Physics 2023-11-02 Dae Heun Koh , Aashwin Mishra , Kazuhiro Terao