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We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using…

材料科学 · 物理学 2013-02-25 Albert P. Bartok , Michael J. Gillan , Frederick R. Manby , Gabor Csanyi

Calculation of phase diagrams is one of the fundamental tools in alloy design---more specifically under the framework of Integrated Computational Materials Engineering. Uncertainty quantification of phase diagrams is the first step required…

Simulations of complex turbulent flow are part and parcel of the engineering design process. Eddy viscosity based turbulence models represent the workhorse for these simulations. The underlying simplifications in eddy viscosity models make…

流体动力学 · 物理学 2024-05-15 Minghan Chu , Weicheng Qian

Computational Fluid Dynamics (CFD) simulations using turbulence models are commonly used in engineering design. Of the different turbulence modeling approaches that are available, eddy viscosity based models are the most common for their…

流体动力学 · 物理学 2023-10-24 Minghan Chu , Weicheng Qian

Numerical simulation of fluids plays an essential role in modeling many physical phenomena, such as weather, climate, aerodynamics and plasma physics. Fluids are well described by the Navier-Stokes equations, but solving these equations at…

流体动力学 · 物理学 2022-04-27 Dmitrii Kochkov , Jamie A. Smith , Ayya Alieva , Qing Wang , Michael P. Brenner , Stephan Hoyer

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…

机器学习 · 计算机科学 2025-10-16 Peter Van Katwyk , Karianne J. Bergen

We investigate uncertainty estimation and multimodality via the non-deterministic predictions of Bayesian neural networks (BNNs) in fluid simulations. To this end, we deploy BNNs in three challenging experimental test-cases of increasing…

流体动力学 · 物理学 2022-05-04 Maximilian Mueller , Robin Greif , Frank Jenko , Nils Thuerey

Turbulent flow has been extensively studied using computational fluid dynamics (CFD) simulations since turbulent flow regime is so frequently encountered in both academic and engineering applications. The high-fidelity simulation of the…

流体动力学 · 物理学 2024-05-21 Minghan Chu

Bayesian uncertainty quantification (UQ) is of interest to industry and academia as it provides a framework for quantifying and reducing the uncertainty in computational models by incorporating available data. For systems with very high…

计算物理 · 物理学 2020-04-14 Xinlei Zhang , Heng Xiao , Thomas Gomez , Olivier Coutier-Delgosha

Quantifying uncertainty in deep regression models is important both for understanding the confidence of the model and for safe decision-making in high-risk domains. Existing approaches that yield prediction intervals overlook distributional…

机器学习 · 计算机科学 2025-12-02 Adriel Sosa Marco , John Daniel Kirwan , Alexia Toumpa , Simos Gerasimou

Slurry transportation via pipelines is essential for global industries, offering efficiency and environmental benefits. Specifically, the precise calibration of physical parameters for transporting raw phosphate material to fertilizer…

流体动力学 · 物理学 2024-06-13 Marwane Elkarii , Radouan Boukharfane , Nabil El Moçayd

Data-driven techniques have improved the accuracy of Reynolds-averaged Navier-Stokes (RANS) models in fluid dynamics. However, modeling separated flows remains challenging due to their complex physics and sensitivity to local conditions.…

流体动力学 · 物理学 2025-11-19 Ali Eidi , Tyler Buchanan , Letian Jiang , Richard P. Dwight

Explicit quantification of uncertainty in engineering simulations is being increasingly used to inform robust and reliable design practices. In the aerospace industry, computationally-feasible analyses for design optimization purposes often…

流体动力学 · 物理学 2019-11-13 Jayant Mukhopadhaya , Brian T. Whitehead , John F. Quindlen , Juan J. Alonso

White paper: The aim of this work is to apply and analyze machine learning methods for uncertainty quantification of turbulence models. In this work we investigate the classical and data-driven variants of the eigenspace perturbation…

流体动力学 · 物理学 2022-11-04 Marcel Matha , Karsten Kucharczyk

Reliable prediction of turbulent flows is an important necessity across different fields of science and engineering. In Computational Fluid Dynamics (CFD) simulations, the most common type of models are eddy viscosity models that are…

流体动力学 · 物理学 2023-07-25 Minghan Chu , Weicheng Qian

A key factor in ensuring the accuracy of computer simulations that model physical systems is the proper calibration of their parameters based on real-world observations or experimental data. Inevitably, uncertainties arise, and Bayesian…

计算工程、金融与科学 · 计算机科学 2026-02-25 Daniel Andrés Arcones , Martin Weiser , Phaedon-Stelios Koutsourelakis , Jörg F. Unger

The design of microfluidic devices is a cumbersome and tedious process that can be significantly improved by simulation. Methods based on Computational Fluid Dynamics (CFD) are considered state-of-the-art, but require extensive compute time…

计算工程、金融与科学 · 计算机科学 2024-01-17 Michel Takken , Robert Wille

Multiphase flow phenomena have been widely observed in the industrial applications, yet it remains a challenging unsolved problem. Three-dimensional computational fluid dynamics (CFD) approaches resolve of the flow fields on finer spatial…

流体动力学 · 物理学 2020-05-11 Han Bao , Jinyong Feng , Nam Dinh , Hongbin Zhang

Model uncertainty quantification involves measuring and evaluating the uncertainty linked to a model's predictions, helping assess their reliability and confidence. Noise injection is a technique used to enhance the robustness of neural…

机器学习 · 统计学 2025-04-25 Xueqiong Yuan , Jipeng Li , Ercan Engin Kuruoglu

Image-based computational fluid dynamics (CFD) modeling enables derivation of hemodynamic information, which has become a paradigm in cardiovascular research and healthcare. Nonetheless, the predictive accuracy largely depends on precisely…

流体动力学 · 物理学 2021-07-20 Han Gao , Xueyu Zhu , Jian-Xun Wang