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As large language models are increasingly deployed for clinical text, ensuring they can reliably signal their own uncertainty becomes critical. Most existing uncertainty quantification (UQ) methods are designed for open-domain generation…

Computation and Language · Computer Science 2026-05-28 Bushi Xiao , Sarvesh Soni , Daisy Zhe Wang

Techniques from artificial intelligence and machine learning are increasingly employed in nuclear theory, however, the uncertainties that arise from the complex parameter manifold encoded by the neural networks are often overlooked.…

Nuclear Theory · Physics 2025-10-29 Mengyao Huang , Kyle A. Wendt , Nicolas F. Schunck , Erika M. Holmbeck

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

Uncertainty quantification is critical for ensuring adequate predictive power of computational models used in biology. Focusing on two anaerobic digestion models, this article introduces a novel generalized Bayesian procedure, called…

Biomolecules · Quantitative Biology 2024-12-02 Antoine Picard-Weibel , Gabriel Capson-Tojo , Benjamin Guedj , Roman Moscoviz

The Intensive Care Unit (ICU) is a hospital department where machine learning has the potential to provide valuable assistance in clinical decision making. Classical machine learning models usually only provide point-estimates and no…

Machine Learning · Computer Science 2024-07-26 David Ruhe , Giovanni Cinà , Michele Tonutti , Daan de Bruin , Paul Elbers

Predicting the future frames of a video is a challenging task, in part due to the underlying stochastic real-world phenomena. Prior approaches to solve this task typically estimate a latent prior characterizing this stochasticity, however…

Computer Vision and Pattern Recognition · Computer Science 2021-10-08 Moitreya Chatterjee , Narendra Ahuja , Anoop Cherian

A framework is developed based on different uncertainty quantification (UQ) techniques in order to assess validation and verification (V&V) metrics in computational physics problems, in general, and computational fluid dynamics (CFD), in…

Computational Physics · Physics 2020-07-15 Saleh Rezaeiravesh , Ricardo Vinuesa , Philipp Schlatter

Machine learning methods for computational imaging require uncertainty estimation to be reliable in real settings. While Bayesian models offer a computationally tractable way of recovering uncertainty, they need large data volumes to be…

Machine Learning · Computer Science 2020-08-24 Francesco Tonolini , Jack Radford , Alex Turpin , Daniele Faccio , Roderick Murray-Smith

We address the problem of estimating the uncertainty in the solution of power grid inverse problems within the framework of Bayesian inference. We investigate two approaches, an adjoint-based method and a stochastic spectral method. These…

Optimization and Control · Mathematics 2016-02-15 Noemi Petra , Cosmin G. Petra , Zheng Zhang , Emil M. Constantinescu , Mihai Anitescu

Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models require uncertainty quantification (UQ) as drug discovery explores chemical space beyond the training…

Machine Learning · Computer Science 2022-11-01 Ya Ju Fan , Jonathan E. Allen , Kevin S. McLoughlin , Da Shi , Brian J. Bennion , Xiaohua Zhang , Felice C. Lightstone

In earthquake source inversions aimed at understanding diverse fault activities on earthquake faults using seismic observation data, uncertainties in velocity structure models are typically not considered. As a result, biases and…

Geophysics · Physics 2025-01-31 Ryoichiro Agata

We consider the problem of estimating rare event probabilities, focusing on systems whose evolution is governed by differential equations with uncertain input parameters. If the system dynamics is expensive to compute, standard sampling…

Computation · Statistics 2019-11-05 Siddhant Wahal , George Biros

Effective Uncertainty Quantification (UQ) represents a key aspect for reliable deployment of Large Language Models (LLMs) in automated decision-making and beyond. Yet, for LLM generation with multiple choice structure, the state-of-the-art…

Machine Learning · Computer Science 2025-11-18 Ramzi Dakhmouche , Adrien Letellier , Hossein Gorji

Bayesian probabilistic numerical methods are a set of tools providing posterior distributions on the output of numerical methods. The use of these methods is usually motivated by the fact that they can represent our uncertainty due to…

Computation · Statistics 2018-08-01 Xiaoyue Xi , François-Xavier Briol , Mark Girolami

We introduce a novel Multi-Order Monte Carlo approach for uncertainty quantification in the context of multiscale time-dependent partial differential equations. The new framework leverages Implicit-Explicit Runge-Kutta time integrators to…

Numerical Analysis · Mathematics 2026-04-08 Giulia Bertaglia , Walter Boscheri , Lorenzo Pareschi

The changesets (or patches) that fix open source software vulnerabilities form critical datasets for various machine learning security-enhancing applications, such as automated vulnerability patching and silent fix detection. These patch…

Software Engineering · Computer Science 2025-09-23 Hui Chen , Yunhua Zhao , Kostadin Damevski

Partial differential equations (PDEs) are fundamental for theoretically describing numerous physical processes that are based on some input fields in spatial configurations. Understanding the physical process, in general, requires…

Numerical Analysis · Mathematics 2020-10-16 Mahadevan Ganesh , Stuart C Hawkins , Alexandre Tartakovsky , Ramakrishna Tipireddy

The tilted-wave interferometer is a promising technique for the development of a reference measurement system for the highly accurate form measurement of aspheres and freeform surfaces. The technique combines interferometric measurements,…

Despite the rapid advancement of Large Language Models (LLMs), uncertainty quantification in LLM generation is a persistent challenge. Although recent approaches have achieved strong performance by restricting LLMs to produce short or…

Computation and Language · Computer Science 2026-04-21 Haozhi Fan , Jinhao Duan , Kaidi Xu

Modelling a complex system is almost invariably a challenging task. The incorporation of experimental observations can be used to improve the quality of a model, and thus to obtain better predictions about the behavior of the corresponding…

Computational Physics · Physics 2015-11-24 Massimiliano Bonomi , Carlo Camilloni , Andrea Cavalli , Michele Vendruscolo