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Deep Gaussian Processes (DGPs) are powerful surrogate models known for their flexibility and ability to capture complex functions. However, extending them to multi-output settings remains challenging due to the need for efficient dependency…

Machine Learning · Statistics 2025-08-25 Chun-Yi Chang , Chih-Li Sung

Optimization and uncertainty quantification have been playing an increasingly important role in computational hemodynamics. However, existing methods based on principled modeling and classic numerical techniques have faced significant…

Medical Physics · Physics 2022-09-07 Pan Du , Xiaozhi Zhu , Jian-Xun Wang

Recent advances in combustion science have led to the generation of large volumes of data from high-fidelity simulations, detailed chemical-kinetic calculations and engine-relevant measurements and create new opportunities for data-driven…

Chemical Physics · Physics 2026-04-29 Amirali Shateri , Zhiyin Yang , Yuying Yan , Manosh C. Paul , Jianfei Xie

Purpose: Computational Fluid Dynamics (CFD) simulations are performed to investigate the impact of adding a grid to a two-inlet dry powder inhaler (DPI). The purpose of the paper is to show the importance of the correct choice of closure…

Computational Engineering, Finance, and Science · Computer Science 2021-01-27 David F Fletcher , Vishal Chaugule , Larissa Gomes dos Reis , Paul M Young , Daniela Traini , Julio Soria

Thanks to computing power increase, the certification and the conception of complex systems relies more and more on simulation. To this end, predictive codes are needed, which have generally to be evaluated in a huge number of input points.…

Methodology · Statistics 2017-12-06 Sophie Marque-Pucheu , Guillaume Perrin , Josselin Garnier

The trade-off between model fidelity and computational cost remains a central challenge in the computational modeling of extrusion-based 3D printing, particularly for real time optimization and control. Although high fidelity simulations…

Fluid Dynamics · Physics 2026-04-14 Mandana Mohammadi Looey , Marissa Loraine Scalise , Amrita Basak , Satadru Dey

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

QubitSolve is working on a quantum solution for computational fluid dynamics (CFD). We have created a variational quantum CFD (VQCFD) algorithm and a 2D Software Prototype based on it. By testing the Software Prototype on a quantum…

Quantum Physics · Physics 2024-07-03 Madhava Syamlal , Carter Copen , Masashi Takahashi , Benjamin Hall

Mechanistic dynamic process models may be too computationally expensive to be usable as part of a real-time capable predictive controller. We present a method for end-to-end learning of Koopman surrogate models for optimal performance in a…

Machine Learning · Computer Science 2025-03-06 Daniel Mayfrank , Na Young Ahn , Alexander Mitsos , Manuel Dahmen

Reducing energy consumption and carbon emissions in data centers by enabling real-time temperature prediction is critical for sustainability and operational efficiency. Achieving this requires accurate modeling of the 3D temperature field…

Traditional computational fluid dynamics calculates the physical information of the flow field by solving partial differential equations, which takes a long time to calculate and consumes a lot of computational resources. We build a fluid…

Fluid Dynamics · Physics 2022-02-28 Qiang Liu , Wei Zhu , Xiyu Jia , Feng Ma , Yu Gao

Performance variability management is an active research area in high-performance computing (HPC). We focus on input/output (I/O) variability. To study the performance variability, computer scientists often use grid-based designs (GBDs) to…

Applications · Statistics 2022-01-25 Yueyao Wang , Li Xu , Yili Hong , Rong Pan , Tyler Chang , Thomas Lux , Jon Bernard , Layne Watson , Kirk Cameron

The assessment of safety performance plays a pivotal role in the development and deployment of connected and automated vehicles (CAVs). A common approach involves designing testing scenarios based on prior knowledge of CAVs (e.g., surrogate…

Systems and Control · Electrical Eng. & Systems 2024-03-01 Jingxuan Yang , Ruoxuan Bai , Haoyuan Ji , Yi Zhang , Jianming Hu , Shuo Feng

Optimization and control of complex unsteady flows remains an important challenge due to the large cost of performing a function evaluation, i.e. a full computational fluid dynamics (CFD) simulation. Reducing the number of required function…

Fluid Dynamics · Physics 2023-01-31 A. Quirós Rodríguez , M. Fosas de Pando , T. Sayadi

Concurrent multiscale finite element analysis (FE2) is a powerful approach for high-fidelity modeling of materials for which a suitable macroscopic constitutive model is not available. However, the extreme computational effort associated…

Numerical Analysis · Mathematics 2020-07-16 I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

Estimating reaction rates and chemical stability is fundamental, yet efficient methods for large-scale simulations remain out of reach despite advances in modeling and exascale computing. Direct simulation is limited by short timescales;…

Chemical Physics · Physics 2025-12-15 Rohit Goswami

Surrogate models provide a quick-to-evaluate approximation to complex computational models and are essential for multi-query problems like design optimisation. The inputs of current deterministic computational models are usually…

Applications · Statistics 2024-10-15 Thomas A. Archbold , Ieva Kazlauskaite , Fehmi Cirak

Excessive loads near wounds produce pathological scarring and other complications. Presently, stress cannot easily be measured by surgeons in the operating room. Instead, surgeons rely on intuition and experience. Predictive computational…

Medical Physics · Physics 2020-10-07 Casey Stowers , Taeksang Lee , Ilias Bilionis , Arun Gosain , Adrian Buganza Tepole

Surrogate models have shown to be an extremely efficient aid in solving engineering problems that require repeated evaluations of an expensive computational model. They are built by sparsely evaluating the costly original model and have…

Machine Learning · Statistics 2022-12-01 M. Moustapha , B. Sudret

The design space for inertial confinement fusion (ICF) experiments is vast and experiments are extremely expensive. Researchers rely heavily on computer simulations to explore the design space in search of high-performing implosions.…

Machine Learning · Computer Science 2021-05-19 K. D. Humbird , J. L. Peterson , J. Salmonson , B. K. Spears