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In nuclear reactor system design and safety analysis, the Best Estimate plus Uncertainty (BEPU) methodology requires that computer model output uncertainties must be quantified in order to prove that the investigated design stays within…

Computation · Statistics 2018-06-22 Xu Wu , Tomasz Kozlowski , Hadi Meidani , Koroush Shirvan

Methods for reasoning under uncertainty are a key building block of accurate and reliable machine learning systems. Bayesian methods provide a general framework to quantify uncertainty. However, because of model misspecification and the use…

Machine Learning · Computer Science 2018-07-03 Volodymyr Kuleshov , Nathan Fenner , Stefano Ermon

The interpretation of seismic images faces challenges due to the presence of several uncertainty sources. Uncertainties exist in data measurements, source positioning, and subsurface geophysical properties. Understanding uncertainties' role…

Recent advancements in machine learning-based methods have demonstrated great potential for improved property prediction in material science. However, reliable estimation of the confidence intervals for the predicted values remains a…

Machine Learning · Computer Science 2025-01-28 Jiang Chang , Deekshith Basvoju , Aleksandar Vakanski , Indrajit Charit , Min Xian

An understanding of the hydrodynamics of multiphase processes is essential for their design and operation. Multiphase computational fluid dynamics (CFD) simulations enable researchers to gain insight which is inaccessible experimentally.…

Numerical Analysis · Mathematics 2021-01-18 Tanyakarn Treeratanaphitak , Nasser Mohieddin Abukhdeir

Quantifying uncertainty and updating reliability are essential for ensuring the safety and performance of engineering systems. This study develops a hierarchical Bayesian modeling (HBM) framework to quantify uncertainty and update…

Methodology · Statistics 2024-12-31 Xinyu Jia , Weinan Hou , Costas Papadimitriou

In many problems of data-driven modeling for dynamical systems, the governing equations are not known a priori and must be selected phenomenologically from a large set of candidate interactions and basis functions. In such situations, point…

Applications · Statistics 2026-04-14 Shuhei Kashiwamura , Yusuke Kato , Hiroshi Kori , Masato Okada

Atomistic simulations often rely on interatomic potentials to access greater time- and length- scales than those accessible to first principles methods such as density functional theory (DFT). However, since a parameterised potential…

Materials Science · Physics 2024-10-08 I. R. Best , T. J. Sullivan , J. R. Kermode

Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better…

Nuclear Theory · Physics 2015-12-23 N. Schunck , J. D. McDonnell , D. Higdon , J. Sarich , S. M. Wild

This paper addresses the problem of quantification and propagation of uncertainties associated with dependence modeling when data for characterizing probability models are limited. Practically, the system inputs are often assumed to be…

Computation · Statistics 2020-04-14 Jiaxin Zhang , Michael D. Shields

Accurate uncertainty estimates are important in sequential model-based decision-making tasks such as Bayesian optimization. However, these estimates can be imperfect if the data violates assumptions made by the model (e.g., Gaussianity).…

Machine Learning · Computer Science 2024-06-27 Shachi Deshpande , Charles Marx , Volodymyr Kuleshov

First-principles statistical mechanics enables the prediction of thermodynamic and kinetic properties of materials, but is computationally expensive. Many approaches require surrogate models to calculate energies within Monte Carlo or…

Statistical Mechanics · Physics 2025-09-10 Derick E. Ober , Sesha Sai Behara , Anton Van der Ven

A covariant energy density functional is calibrated using a principled Bayesian statistical framework informed by experimental binding energies and charge radii of several magic and semi-magic nuclei. The Bayesian sampling required for the…

Nuclear Theory · Physics 2022-09-28 Pablo Giuliani , Kyle Godbey , Edgard Bonilla , Frederi Viens , Jorge Piekarewicz

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

Turbulent flows play an important role in many scientific and technological design problems. Both Sub-Grid Scale (SGS) models in Large Eddy Simulations (LES) and Reynolds Averaged Navier Stokes (RANS) based modeling will require turbulence…

Fluid Dynamics · Physics 2024-07-16 Minghan Chu

With new advancements in technology, it is now possible to collect data for a variety of different metrics describing tumor growth, including tumor volume, composition, and vascularity, among others. For any proposed model of tumor growth…

Quantitative Methods · Quantitative Biology 2020-09-08 Heyrim Cho , Allison L. Lewis , Kathleen M. Storey

Any experiment with climate models relies on a potentially large set of spatio-temporal boundary conditions. These can represent both the initial state of the system and/or forcings driving the model output throughout the experiment. Whilst…

Applications · Statistics 2023-12-22 Lachlan Astfalck , Daniel Williamson , Niall Gandy , Lauren Gregoire , Ruza Ivanovic

This study presents a Bayesian framework for (inverse) uncertainty quantification and parameter estimation in a two-step Chemical Vapor Deposition coating process using production data. We develop an XGBoost surrogate model that maps…

Calibrating mathematical models of biological processes is essential for achieving predictive accuracy and gaining mechanistic insight. However, this task remains challenging due to limited and noisy data, significant biological…

Quantitative Methods · Quantitative Biology 2025-12-04 Piotr Gwiazda , Alexey Kazarnikov , Anna Marciniak-Czochra , Zuzanna Szymańska

Simulation techniques are providing with each passing day a deeper insight into the structure and properties of materials. Two main obstacles appear for the cooperation of simulation and experiment: on the one hand, the frequent lack of a…

Materials Science · Physics 2018-06-29 Francesca Peccati , Rubén Laplaza , Julia Contreras-García
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