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A machine learning method to predict steady external fluid flows using elliptic input features is introduced. Using data from as few as one high-fidelity simulation, the proposed method produces models generalizable under changes to…

Sampling the free energy surface, namely, the distribution of collective variables (CVs), is a crucial problem in statistical physics, as it underpins a better understanding of chemical reactions and conformational transitions. Traditional…

Machine Learning · Computer Science 2026-05-04 Zichen Liu , Tiejun Li

Computational fluid dynamics (CFD) is a valuable tool for personalised, non-invasive evaluation of hemodynamics in arteries, but its complexity and time-consuming nature prohibit large-scale use in practice. Recently, the use of deep…

Machine Learning · Computer Science 2022-01-21 Julian Suk , Pim de Haan , Phillip Lippe , Christoph Brune , Jelmer M. Wolterink

We introduce a novel masked pre-training technique for graph neural networks (GNNs) applied to computational fluid dynamics (CFD) problems. By randomly masking up to 40\% of input mesh nodes during pre-training, we force the model to learn…

Machine Learning · Computer Science 2025-08-27 Paul Garnier , Vincent Lannelongue , Jonathan Viquerat , Elie Hachem

Neural surrogate models for computational fluid dynamics (CFD) are typically trained as forward operators that map explicit problem specifications, such as geometry and boundary conditions, to solution fields. This ties the model to the…

Machine Learning · Computer Science 2026-05-29 Jonas Weidner , Yeray Martin-Ruisanchez , Daniel Rueckert , Benedikt Wiestler , Julian Suk

Automotive engineering development increasingly relies on heterogeneous 3D data, including finite element (FE) models, body-in-white (BiW) representations, CAD geometry, and CFD meshes. At the same time, engineering teams face growing…

The design of flow control systems remains a challenge due to the nonlinear nature of the equations that govern fluid flow. However, recent advances in computational fluid dynamics (CFD) have enabled the simulation of complex fluid flows…

Computational Engineering, Finance, and Science · Computer Science 2018-11-13 Jeremy Morton , Freddie D. Witherden , Antony Jameson , Mykel J. Kochenderfer

Computational Fluid Dynamics (CFD) is a hugely important subject with applications in almost every engineering field, however, fluid simulations are extremely computationally and memory demanding. Towards this end, we present Lat-Net, a…

Machine Learning · Statistics 2017-05-26 Oliver Hennigh

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

Graphical models can represent a multivariate distribution in a convenient and accessible form as a graph. Causal models can be viewed as a special class of graphical models that not only represent the distribution of the observed system…

Methodology · Statistics 2017-06-29 Christina Heinze-Deml , Marloes H. Maathuis , Nicolai Meinshausen

Obtaining system parameters and reconstructing the full flow state from limited velocity observations using conventional fluid dynamics solvers can be prohibitively expensive. Here we employ machine learning algorithms to overcome the…

Fluid Dynamics · Physics 2024-10-17 Vladimir Parfenyev , Mark Blumenau , Ilia Nikitin

In missions constrained by finite resources, efficient data collection is critical. Informative path planning, driven by automated decision-making, optimizes exploration by reducing the costs associated with accurate characterization of a…

Robotics · Computer Science 2024-11-04 Sapphira Akins , Hans Mertens , Frances Zhu

Computational fluid dynamics (CFD) provides high-fidelity simulations of fluid flows but remains computationally expensive for many-query applications. In recent years deep learning (DL) has been used to construct data-driven fluid-dynamic…

Machine Learning · Computer Science 2026-04-13 David Ramos , Lucas Lacasa , Fermín Gutiérrez , Eusebio Valero , Gonzalo Rubio

Computational fluid dynamics (CFD)-driven machine learning frameworks based on symbolic regression offer a promising pathway for turbulence model discovery, but are often hindered by numerical instability, residual stagnation, and…

Fluid Dynamics · Physics 2026-05-13 Talib Ansari , Priyank H. Mehta , Harshal D. Akolekar

Semi-Lagrangian (SL) schemes are known as a major numerical tool for solving transport equations with many advantages and have been widely deployed in the fields of computational fluid dynamics, plasma physics modeling, numerical weather…

Numerical Analysis · Mathematics 2023-08-09 Yongsheng Chen , Wei Guo , Xinghui Zhong

Computational Fluid Dynamics (CFD) is crucial for automotive design, requiring the analysis of large 3D point clouds to study how vehicle geometry affects pressure fields and drag forces. However, existing deep learning approaches for CFD…

Computer Vision and Pattern Recognition · Computer Science 2025-02-07 Chris Choy , Alexey Kamenev , Jean Kossaifi , Max Rietmann , Jan Kautz , Kamyar Azizzadenesheli

Modeling real-world systems requires accounting for noise - whether it arises from unpredictable fluctuations in financial markets, irregular rhythms in biological systems, or environmental variability in ecosystems. While the behavior of…

Machine Learning · Computer Science 2026-04-08 Matteo Bosso , Giovanni Franzese , Kushal Swamy , Maarten Theulings , Alejandro M. Aragón , Farbod Alijani

We present a hybrid continuum-atomistic scheme which combines molecular dynamics (MD) simulations with on-the-fly machine learning techniques for the accurate and efficient prediction of multiscale fluidic systems. By using a Gaussian…

Fluid Dynamics · Physics 2016-03-16 David Stephenson , James R Kermode , Duncan A Lockerby

Simulation systems have become an essential component in the development and validation of autonomous driving technologies. The prevailing state-of-the-art approach for simulation is to use game engines or high-fidelity computer graphics…

Computer Vision and Pattern Recognition · Computer Science 2020-10-30 Wei Li , Chengwei Pan , Rong Zhang , Jiaping Ren , Yuexin Ma , Jin Fang , Feilong Yan , Qichuan Geng , Xinyu Huang , Huajun Gong , Weiwei Xu , Guoping Wang , Dinesh Manocha , Ruigang Yang

The assessment of highly-risky situations at road intersections have been recently revealed as an important research topic within the context of the automotive industry. In this paper we shall introduce a novel approach to compute risk…

Neural and Evolutionary Computing · Computer Science 2007-05-23 Alejandro Chinea Manrique De Lara , Michel Parent
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