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We present Korali, an open-source framework for large-scale Bayesian uncertainty quantification and stochastic optimization. The framework relies on non-intrusive sampling of complex multiphysics models and enables their exploitation for…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-01-26 Sergio M. Martin , Daniel Wälchli , Georgios Arampatzis , Athena E. Economides , Petr Karnakov , Petros Koumoutsakos

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

Machine Learning · Computer Science 2023-02-08 Apostolos F Psaros , Xuhui Meng , Zongren Zou , Ling Guo , George Em Karniadakis

To more flexibly balance between exploration and exploitation, a new meta-heuristic method based on Uncertainty Principle concepts is proposed in this paper. UP is is proved effective in multiple branches of science. In the branch of…

Neural and Evolutionary Computing · Computer Science 2020-06-18 Mojtaba Moattari , Mohammad Hassan Moradi , Emad Roshandel

This paper surveys uncertainty-aware explainable artificial intelligence (UAXAI), examining how uncertainty is incorporated into explanatory pipelines and how such methods are evaluated. Across the literature, three recurring approaches to…

Artificial Intelligence · Computer Science 2026-03-31 Helena Löfström , Tuwe Löfström , Anders Hjort , Fatima Rabia Yapicioglu

Current research provides methods to communicate uncertainty and adapts classical algorithms of the visualization pipeline to take the uncertainty into account. Various existing visualization frameworks include methods to present uncertain…

Human-Computer Interaction · Computer Science 2024-09-17 Patrick Paetzold , David Hägele , Marina Evers , Daniel Weiskopf , Oliver Deussen

The needs to assess robust performances for complex systems and to answer tighter regulatory processes (security, safety, environmental control, and health impacts, etc.) have led to the emergence of a new industrial simulation challenge:…

Computation · Statistics 2023-12-05 Michaël Baudin , Anne Dutfoy , Bertrand Iooss , Anne-Laure Popelin

Energy infrastructure planning under uncertainty has become increasingly complex as electrification, interdependence between energy carriers, decarbonization, and extreme weather events reshape long-term investment decisions. This paper…

Systems and Control · Electrical Eng. & Systems 2026-04-14 Rahman Khorramfar , Aron Brenner , Lara Booth , Ana Rivera , Ruaridh Macdonald , Priya Donti , Saurabh Amin

The Best Estimate plus Uncertainty (BEPU) approach for nuclear systems modeling and simulation requires that the prediction uncertainty must be quantified in order to prove that the investigated design stays within acceptance criteria. A…

Computation · Statistics 2023-03-24 Ziyu Xie , Farah Alsafadi , Xu Wu

An uncertainty quantification framework is developed for Eulerian-Lagrangian models of particle-laden flows, where the fluid is modeled through a system of partial differential equations in the Eulerian frame and inertial particles are…

Computational Physics · Physics 2018-11-01 Vasileios Fountoulakis , H. S. Udaykumar , Gustaaf B. Jacobs

With increasing deployment of machine learning systems in various real-world tasks, there is a greater need for accurate quantification of predictive uncertainty. While the common goal in uncertainty quantification (UQ) in machine learning…

Machine Learning · Computer Science 2021-09-22 Youngseog Chung , Ian Char , Han Guo , Jeff Schneider , Willie Neiswanger

Geothermal field modeling is often associated with uncertainties related to the subsurface static properties and the dynamics of fluid flow and heat transfer. Uncertainty quantification using simulations is a useful tool to design optimum…

Geophysics · Physics 2021-12-13 Hussein Hoteit , Xupeng He , Bicheng Yan , Volker Vahrenkam

Fair predictive algorithms hinge on both equality and trust, yet inherent uncertainty in real-world data challenges our ability to make consistent, fair, and calibrated decisions. While fairly managing predictive error has been extensively…

Machine Learning · Computer Science 2024-10-04 Lucas Rosenblatt , R. Teal Witter

In this paper, we describe an open source Python toolkit named Uncertainty Quantification 360 (UQ360) for the uncertainty quantification of AI models. The goal of this toolkit is twofold: first, to provide a broad range of capabilities to…

Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…

Optimization models have been broadly used within side the energy industry as useful decision-making systems for scheduling and dispatching electric powered energy resources; this is applied in a system called unit commitment (UC). Unit…

Optimization and Control · Mathematics 2022-04-01 Angel Zambrano

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

We propose a rigorous framework for Uncertainty Quantification (UQ) in which the UQ objectives and the assumptions/information set are brought to the forefront. This framework, which we call \emph{Optimal Uncertainty Quantification} (OUQ),…

Probability · Mathematics 2016-05-20 Houman Owhadi , Clint Scovel , Timothy John Sullivan , Mike McKerns , Michael Ortiz

The growing uncertainty from renewable power and electricity demand brings significant challenges to unit commitment (UC). While various advanced forecasting and optimization methods have been developed to predict better and address this…

Optimization and Control · Mathematics 2025-09-30 Rui Xie , Yue Chen , Pierre Pinson

An understanding of how input parameter uncertainty in the numerical simulation of physical models leads to simulation output uncertainty is a challenging task. Common methods for quantifying output uncertainty, such as performing a grid or…

Materials Science · Physics 2023-09-25 Samuel G. McCallum , James E. Lerpiniére , Kjeld O. Jensen , Alison B. Walker

High-quality estimates of uncertainty and robustness are crucial for numerous real-world applications, especially for deep learning which underlies many deployed ML systems. The ability to compare techniques for improving these estimates is…

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