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Bayesian inference promises a framework for principled uncertainty quantification of neural network predictions. Barriers to adoption include the difficulty of fully characterizing posterior distributions on network parameters and the…

Machine Learning · Statistics 2025-01-22 Katharine Fisher , Youssef Marzouk

Numerical models based on Reynolds-Averaged Navier-Stokes (RANS) equations are widely used in engineering turbulence modeling. However, the RANS predictions have large model-form uncertainties for many complex flows. Quantification of these…

Computational Physics · Physics 2017-01-25 Jian-Xun Wang , Rui Sun , Heng Xiao

This paper proposes a physics-guided machine learning approach that combines advanced machine learning models and physics-based models to improve the prediction of water flow and temperature in river networks. We first build a recurrent…

Due to their intuitive appeal, Bayesian methods of modeling and uncertainty quantification have become popular in modern machine and deep learning. When providing a prior distribution over the parameter space, it is straightforward to…

Machine Learning · Statistics 2025-06-05 Ivan Melev , Goeran Kauermann

Due to lack of scientific understanding, some mechanisms may be missing in mathematical modeling of complex phenomena in science and engineering. These mathematical models thus contain some uncertainties such as uncertain parameters. One…

Probability · Mathematics 2012-04-05 Jinqiao Duan , Ting Gao , Guowei He

Understanding the processes that influence groundwater levels is crucial for forecasting and responding to hazards such as groundwater droughts. Mixed models, which combine a fixed mean, expressed using independent predictors, with…

Methodology · Statistics 2025-12-25 Jakub J. Pypkowski , Adam M. Sykulski , James S. Martin , Ben P. Marchant

The expected growth in wind energy capacity requires efficient and accurate models for wind farm layout optimization, control, and annual energy predictions. Although analytical wake models are widely used for these applications, several…

Fluid Dynamics · Physics 2023-02-16 Frederik Aerts , Luca Lanzilao , Johan Meyers

Generating calibrated and sharp neural network predictive distributions for regression problems is essential for optimal decision-making in many real-world applications. To address the miscalibration issue of neural networks, various…

Machine Learning · Computer Science 2024-03-19 Victor Dheur , Souhaib Ben Taieb

Uncertainty quantification is crucial for building reliable and trustable machine learning systems. We propose to estimate uncertainty in recurrent neural networks (RNNs) via stochastic discrete state transitions over recurrent timesteps.…

Machine Learning · Computer Science 2020-11-25 Cheng Wang , Carolin Lawrence , Mathias Niepert

In this work we propose an Uncertainty Quantification methodology for sedimentary basins evolution under mechanical and geochemical compaction processes, which we model as a coupled, time-dependent, non-linear, monodimensional (depth-only)…

Numerical Analysis · Mathematics 2017-11-22 Ivo Colombo , Fabio Nobile , Giovanni Porta , Anna Scotti , Lorenzo Tamellini

Computer vision systems that are deployed in safety-critical applications need to quantify their output uncertainty. We study regression from images to parameter values and here it is common to detect uncertainty by predicting probability…

Machine Learning · Computer Science 2024-06-24 Ziliang Xiong , Arvi Jonnarth , Abdelrahman Eldesokey , Joakim Johnander , Bastian Wandt , Per-Erik Forssen

Existing approaches to model uncertainty typically either compare models using a quantitative model selection criterion or evaluate posterior model probabilities having set a prior. In this paper, we propose an alternative strategy which…

Methodology · Statistics 2025-03-26 Vik Shirvaikar , Stephen G. Walker , Chris Holmes

In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning chemical reactions. Despite the rapid increase in the use of…

Chemical Physics · Physics 2019-05-17 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

We propose a novel multi-task method for quantile forecasting with shared Linear layers. Our method is based on the Implicit quantile learning approach, where samples from the Uniform distribution $\mathcal{U}(0, 1)$ are reparameterized to…

Machine Learning · Computer Science 2022-12-07 Shayan Jawed , Lars Schmidt-Thieme

In machine learning, uncertainty quantification helps assess the reliability of model predictions, which is important in high-stakes scenarios. Traditional approaches often emphasize predictive accuracy, but there is a growing focus on…

Machine Learning · Statistics 2025-09-30 Jake S. Rhodes , Scott D. Brown , J. Riley Wilkinson

Reliably characterizing the full conditional distribution of a multivariate response variable given a set of covariates is crucial for trustworthy decision-making. However, misspecified or miscalibrated multivariate models may yield a poor…

Machine Learning · Computer Science 2025-10-27 Victor Dheur , Souhaib Ben Taieb

State estimation in water distribution networks (WDN), the problem of estimating all unknown network heads and flows given select measurements, is challenging due to the nonconvexity of hydraulic models and significant uncertainty from…

Optimization and Control · Mathematics 2021-03-12 Shen Wang , Ahmad F. Taha , Nikolaos Gatsis , Lina Sela , Marcio Giacomoni

Bayesian methods have been very successful in quantifying uncertainty in physics-based problems in parameter estimation and prediction. In these cases, physical measurements y are modeled as the best fit of a physics-based model…

Data Analysis, Statistics and Probability · Physics 2015-02-06 Dave Higdon , Jordan D. McDonnell , Nicolas Schunck , Jason Sarich , Stefan M. Wild

Uncertainty quantification is essential for scientific analysis, as it allows for the evaluation and interpretation of variability and reliability in complex systems and datasets. In their original form, multivariate statistical regression…

Streamflow forecasting is crucial for water resource management and risk mitigation. While deep learning models have achieved strong predictive performance, they often overlook underlying physical processes, limiting interpretability and…

Machine Learning · Computer Science 2025-12-19 Shu Wan , Reepal Shah , John Sabo , Huan Liu , K. Selçuk Candan
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