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In order to achieve a virtual certification process and robust designs for turbomachinery, the uncertainty bounds for Computational Fluid Dynamics have to be known. The formulation of turbulence closure models implies a major source of the…

Computational Engineering, Finance, and Science · Computer Science 2023-04-03 Marcel Matha , Karsten Kucharczyk , Christian Morsbach

The application machine learning (ML) algorithms to turbulence modeling has shown promise over the last few years, but their application has been restricted to eddy viscosity based closure approaches. In this article we discuss rationale…

Fluid Dynamics · Physics 2021-05-31 J. P. Panda , H. V. Warrior

In recent years, large language models (LLMs) have become increasingly prevalent, offering remarkable text generation capabilities. However, a pressing challenge is their tendency to make confidently wrong predictions, highlighting the…

Computation and Language · Computer Science 2024-03-06 Xiang Gao , Jiaxin Zhang , Lalla Mouatadid , Kamalika Das

This paper presents a machine learning methodology to improve the predictions of traditional RANS turbulence models in channel flows subject to strong variations in their thermophysical properties. The developed formulation contains several…

Fluid Dynamics · Physics 2022-10-28 Rafael Diez Sanhueza , Stephan Smit , Jurriaan Peeters , Rene Pecnik

Large Language Models (LLMs) are increasingly assisting users in the real world, yet their reliability remains a concern. Uncertainty quantification (UQ) has been heralded as a tool to enhance human-LLM collaboration by enabling users to…

Computation and Language · Computer Science 2025-06-10 Siddartha Devic , Tejas Srinivasan , Jesse Thomason , Willie Neiswanger , Vatsal Sharan

Uncertainty quantification is crucial to assess prediction quality of a machine learning model. In the case of Extreme Learning Machines (ELM), most methods proposed in the literature make strong assumptions on the data, ignore the…

Machine Learning · Statistics 2020-11-04 Fabian Guignard , Federico Amato , Mikhail Kanevski

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

This study investigates uncertainty quantification (UQ) using quantum-classical hybrid machine learning (ML) models for applications in complex and dynamic fields, such as attaining resiliency in supply chain digital twins and financial…

Uncertainty quantification is critical for ensuring robustness in high-stakes machine learning applications. We introduce HybridFlow, a modular hybrid architecture that unifies the modeling of aleatoric and epistemic uncertainty by…

Machine Learning · Computer Science 2025-10-16 Peter Van Katwyk , Karianne J. Bergen

Uncertainty Quantification (UQ) is essential for creating trustworthy machine learning models. Recent years have seen a steep rise in UQ methods that can flag suspicious examples, however, it is often unclear what exactly these methods…

Machine Learning · Computer Science 2023-10-31 Hao Sun , Boris van Breugel , Jonathan Crabbe , Nabeel Seedat , Mihaela van der Schaar

The practice of uncertainty quantification (UQ) validation, notably in machine learning for the physico-chemical sciences, rests on several graphical methods (scattering plots, calibration curves, reliability diagrams and confidence curves)…

Chemical Physics · Physics 2023-03-31 Pascal Pernot

Quantifying uncertainty is important for actionable predictions in real-world applications. A crucial part of predictive uncertainty quantification is the estimation of epistemic uncertainty, which is defined as an integral of the product…

Machine Learning · Computer Science 2023-10-25 Kajetan Schweighofer , Lukas Aichberger , Mykyta Ielanskyi , Günter Klambauer , Sepp Hochreiter

Model extrapolation to unseen flow is one of the biggest challenges facing data-driven turbulence modeling, especially for models with high dimensional inputs that involve many flow features. In this study we review previous efforts on…

Fluid Dynamics · Physics 2020-01-16 Shirui Luo , Jiahuan Cui , Madhu Vellakal , Jian Liu , Enyi Jiang , Seid Koric , Volodymyr Kindratenko

A central challenge in scientific machine learning (ML) is the correct representation of physical systems governed by multi-regime behaviours. In these scenarios, standard data analysis techniques often fail to capture the nature of the…

Machine Learning · Computer Science 2026-02-26 Michele Cazzola , Alberto Ghione , Lucia Sargentini , Julien Nespoulous , Riccardo Finotello

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

This paper questions the effectiveness of a modern predictive uncertainty quantification approach, called \emph{evidential deep learning} (EDL), in which a single neural network model is trained to learn a meta distribution over the…

Machine Learning · Computer Science 2024-11-04 Maohao Shen , J. Jon Ryu , Soumya Ghosh , Yuheng Bu , Prasanna Sattigeri , Subhro Das , Gregory W. Wornell

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

Accurate prediction of pressure and velocity fluctuations in turbulent flows is essential for understanding flow-induced vibration and structural fatigue. This study investigates the role of turbulence model parameter uncertainty in such…

Fluid Dynamics · Physics 2025-11-19 Ali Eidi , Richard P. Dwight

The calibration of rheological parameters in the modeling of complex flows of non-Newtonian fluids can be a daunting task. In this paper we demonstrate how the framework of Uncertainty Quantification (UQ) can be used to improve the…

Fluid Dynamics · Physics 2023-07-11 Aricia Rinkens , Clemens V. Verhoosel , Nick O. Jaensson

Integration of machine learning (ML) models of unresolved dynamics into numerical simulations of fluid dynamics has been demonstrated to improve the accuracy of coarse resolution simulations. However, when trained in a purely offline mode,…

Fluid Dynamics · Physics 2023-07-26 Christian Pedersen , Laure Zanna , Joan Bruna , Pavel Perezhogin
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