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The ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is driven by numerous factors. An uncertainty-aware metric that…

Machine Learning · Computer Science 2023-08-28 Line Pouchard , Kristofer G. Reyes , Francis J. Alexander , Byung-Jun Yoon

The vast majority of stochastic simulation models are imperfect in that they fail to exactly emulate real system dynamics. The inexactness of the simulation model, or model discrepancy, can impact the predictive accuracy and usefulness of…

Methodology · Statistics 2017-07-21 Matthew Plumlee , Henry Lam

Geophysical methods provide a cost-effective way to characterize the subsurface for hydrogeological projects, but they rely on solving an inverse problem. Traditionally, deterministic approaches are used, which face challenges due to…

Geophysics · Physics 2025-12-05 Arsalan Ahmed , Thomas Hermans , David Dudal , Wouter Deleersnyder

The importance of uncertainty quantification is increasingly recognized in the diverse field of machine learning. Accurately assessing model prediction uncertainty can help provide deeper understanding and confidence for researchers and…

Machine Learning · Computer Science 2024-12-03 Tianyi Chen , Yingzhou Lu , Nan Hao , Yuanyuan Zhang , Capucine Van Rechem , Jintai Chen , Tianfan Fu

Accurate representations of unknown and sub-grid physical processes through parameterizations (or closure) in numerical simulations with quantified uncertainty are critical for resolving the coarse-grained partial differential equations…

Machine Learning · Computer Science 2024-05-08 Yongquan Qu , Mohamed Aziz Bhouri , Pierre Gentine

Uncertainty-quantification methods are applied to estimate the confidence of deep-neural-networks classifiers over their predictions. However, most widely used methods are known to be overconfident. We address this problem by developing an…

Machine Learning · Computer Science 2023-05-19 Luigi Sbailò , Luca M. Ghiringhelli

Uncertainty is a key feature of any machine learning model and is particularly important in neural networks, which tend to be overconfident. This overconfidence is worrying under distribution shifts, where the model performance silently…

Machine Learning · Computer Science 2024-03-18 Arthur Thuy , Dries F. Benoit

Large language models (LLMs) have transformed natural language processing, but their reliable deployment requires effective uncertainty quantification (UQ). Existing UQ methods are often heuristic and lack a probabilistic interpretation.…

Computation and Language · Computer Science 2025-11-06 Haoyi Song , Ruihan Ji , Naichen Shi , Fan Lai , Raed Al Kontar

Index tuning is crucial for optimizing database performance by selecting optimal indexes based on workload. The key to this process lies in an accurate and efficient benefit estimator. Traditional methods relying on what-if tools often…

Databases · Computer Science 2025-09-03 Tao Yu , Zhaonian Zou , Hao Xiong

Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…

Machine Learning · Computer Science 2022-06-07 Valentin Arkov

In this paper we argue that, to its detriment, transparency research overlooks many foundational concepts of artificial intelligence. As an illustrating example we focus on uncertainty quantification in the context of counterfactual…

Machine Learning · Computer Science 2026-05-19 Kacper Sokol , Santo M. A. R. Thies , Eyke Hüllermeier

ML models have errors when used for predictions. The errors are unknown but can be quantified by model uncertainty. When multiple ML models are trained using the same training points, their model uncertainties may be statistically…

Machine Learning · Statistics 2025-09-23 Xiaoping Du

Uncertainty quantification is a critical aspect of machine learning models, providing important insights into the reliability of predictions and aiding the decision-making process in real-world applications. This paper proposes a novel way…

Machine Learning · Computer Science 2024-01-02 Yusuf Sale , Paul Hofman , Lisa Wimmer , Eyke Hüllermeier , Thomas Nagler

This paper addresses the challenge of model uncertainty in quantitative finance, where decisions in portfolio allocation, derivative pricing, and risk management rely on estimating stochastic models from limited data. In practice, the…

Computational Finance · Quantitative Finance 2025-06-10 Hans Buehler , Blanka Horvath , Yannick Limmer , Thorsten Schmidt

Estimating physical parameters from data is a crucial application of machine learning (ML) in the physical sciences. However, systematic uncertainties, such as detector miscalibration, induce data distribution distortions that can erode…

Data Analysis, Statistics and Probability · Physics 2025-05-14 Ibrahim Elsharkawy , Yonatan Kahn

Explanation methods help understand the reasons for a model's prediction. These methods are increasingly involved in model debugging, performance optimization, and gaining insights into the workings of a model. With such critical…

Machine Learning · Computer Science 2025-04-16 Mihir Mulye , Matias Valdenegro-Toro

Due to the non-stationarity of time series, the distribution shift problem largely hinders the performance of time series forecasting. Existing solutions either rely on using certain statistics to specify the shift, or developing specific…

Machine Learning · Computer Science 2025-02-10 Wei Fan , Shun Zheng , Pengyang Wang , Rui Xie , Kun Yi , Qi Zhang , Jiang Bian , Yanjie Fu

Understanding the uncertainty of a neural network's (NN) predictions is essential for many purposes. The Bayesian framework provides a principled approach to this, however applying it to NNs is challenging due to large numbers of parameters…

Machine Learning · Statistics 2020-02-27 Tim Pearce , Felix Leibfried , Alexandra Brintrup , Mohamed Zaki , Andy Neely

Streamflow prediction is one of the key challenges in the field of hydrology due to the complex interplay between multiple non-linear physical mechanisms behind streamflow generation. While physics based models are rooted in rich…

Atmospheric and Oceanic Physics · Physics 2025-11-12 Ankush Khandelwal , Shaoming Xu , Xiang Li , Xiaowei Jia , Michael Stienbach , Christopher Duffy , John Nieber , Vipin Kumar

We develop a new quantifier for forward time uncertainty for trajectories that are solutions of models generated from data sets. Our uncertainty quantifier is defined on the phase space in which the trajectories evolve and we show that it…

Dynamical Systems · Mathematics 2021-11-24 Guillermo García-Sánchez , Ana M. Mancho , Stephen Wiggins
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