CFD acceleration for virtual nuclear reactors or digital twin technology is a primary goal in the nuclear industry. This study compares advanced convolutional neural network (CNN) architectures for accelerating unsteady computational fluid dynamics (CFD) simulations using small datasets based on a challenging natural convection flow dataset. The advanced architectures such as autoencoders, UNet, and ConvLSTM-UNet, were evaluated under identical conditions to determine their predictive accuracy and robustness in autoregressive time-series predictions. ConvLSTM-UNet consistently outperformed other models, particularly in difference value calculation, achieving lower maximum errors and stable residuals. However, error accumulation remains a challenge, limiting reliable predictions to approximately 10 timesteps. This highlights the need for enhanced strategies to improve long-term prediction stability. The novelty of this work lies in its fair comparison of state-of-the-art CNN models within the RePIT framework, demonstrating their potential for accelerating CFD simulations while identifying limitations under small data conditions. Future research will focus on exploring alternative models, such as graph neural networks and implicit neural representations. These efforts aim to develop a robust hybrid approach for long-term unsteady CFD acceleration, contributing to practical applications in virtual nuclear reactor.

Intracranial aneurysm (IA) is a common cerebrovascular disease that is usually asymptomatic but may cause severe subarachnoid hemorrhage (SAH) if ruptured. Although clinical practice is usually based on individual factors and morphological features of the aneurysm, its pathophysiology and hemodynamic mechanisms remain controversial. To address the limitations of current research, this study constructed a comprehensive hemodynamic dataset of intracranial aneurysms. The dataset is based on 466 real aneurysm models, and 10,000 synthetic models were generated by resection and deformation operations, including 466 aneurysm-free models and 9,534 deformed aneurysm models. The dataset also provides medical image-like segmentation mask files to support insightful analysis. In addition, the dataset contains hemodynamic data measured at eight steady-state flow rates (0.001 to 0.004 kg/s), including critical parameters such as flow velocity, pressure, and wall shear stress, providing a valuable resource for investigating aneurysm pathogenesis and clinical prediction. This dataset will help advance the understanding of the pathologic features and hemodynamic mechanisms of intracranial aneurysms and support in-depth research in related fields. Dataset hosted at https://github.com/Xigui-Li/Aneumo.

The complexity of the cardiovascular system needs to be accurately reproduced in order to promptly acknowledge health conditions; to this aim, advanced multifidelity and multiphysics numerical models are crucial. On one side, Full Order Models (FOMs) deliver accurate hemodynamic assessments, but their high computational demands hinder their real-time clinical application. In contrast, ROMs provide more efficient yet accurate solutions, essential for personalized healthcare and timely clinical decision-making. In this work, we explore the application of computational fluid dynamics (CFD) in cardiovascular medicine by integrating FOMs with ROMs for predicting the risk of aortic aneurysm growth and rupture. Wall Shear Stress (WSS) and the Oscillatory Shear Index (OSI), sampled at different growth stages of the abdominal aortic aneurysm, are predicted by means of Graph Neural Networks (GNNs). GNNs exploit the natural graph structure of the mesh obtained by the Finite Volume (FV) discretization, taking into account the spatial local information, regardless of the dimension of the input graph. Our experimental validation framework yields promising results, confirming our method as a valid alternative that overcomes the curse of dimensionality.

This paper explores the recent advancements in enhancing Computational Fluid Dynamics (CFD) tasks through Machine Learning (ML) techniques. We begin by introducing fundamental concepts, traditional methods, and benchmark datasets, then examine the various roles ML plays in improving CFD. The literature systematically reviews papers in recent five years and introduces a novel classification for forward modeling: Data-driven Surrogates, Physics-Informed Surrogates, and ML-assisted Numerical Solutions. Furthermore, we also review the latest ML methods in inverse design and control, offering a novel classification and providing an in-depth discussion. Then we highlight real-world applications of ML for CFD in critical scientific and engineering disciplines, including aerodynamics, combustion, atmosphere & ocean science, biology fluid, plasma, symbolic regression, and reduced order modeling. Besides, we identify key challenges and advocate for future research directions to address these challenges, such as multi-scale representation, physical knowledge encoding, scientific foundation model and automatic scientific discovery. This review serves as a guide for the rapidly expanding ML for CFD community, aiming to inspire insights for future advancements. We draw the conclusion that ML is poised to significantly transform CFD research by enhancing simulation accuracy, reducing computational time, and enabling more complex analyses of fluid dynamics. The paper resources can be viewed at https://github.com/WillDreamer/Awesome-AI4CFD.

The integration of machine learning (ML) techniques for addressing intricate physics problems is increasingly recognized as a promising avenue for expediting simulations. However, assessing ML-derived physical models poses a significant challenge for their adoption within industrial contexts. This competition is designed to promote the development of innovative ML approaches for tackling physical challenges, leveraging our recently introduced unified evaluation framework known as Learning Industrial Physical Simulations (LIPS). Building upon the preliminary edition held from November 2023 to March 2024, this iteration centers on a task fundamental to a well-established physical application: airfoil design simulation, utilizing our proposed AirfRANS dataset. The competition evaluates solutions based on various criteria encompassing ML accuracy, computational efficiency, Out-Of-Distribution performance, and adherence to physical principles. Notably, this competition represents a pioneering effort in exploring ML-driven surrogate methods aimed at optimizing the trade-off between computational efficiency and accuracy in physical simulations. Hosted on the Codabench platform, the competition offers online training and evaluation for all participating solutions.

Fluid data completion is a research problem with high potential benefit for both experimental and computational fluid dynamics. An effective fluid data completion method reduces the required number of sensors in a fluid dynamics experiment, and allows a coarser and more adaptive mesh for a Computational Fluid Dynamics (CFD) simulation. However, the ill-posed nature of the fluid data completion problem makes it prohibitively difficult to obtain a theoretical solution and presents high numerical uncertainty and instability for a data-driven approach (e.g., a neural network model). To address these challenges, we leverage recent advancements in computer vision, employing the vector quantization technique to map both complete and incomplete fluid data spaces onto discrete-valued lower-dimensional representations via a two-stage learning procedure. We demonstrated the effectiveness of our approach on Kolmogorov flow data (Reynolds number: 1000) occluded by masks of different size and arrangement. Experimental results show that our proposed model consistently outperforms benchmark models under different occlusion settings in terms of point-wise reconstruction accuracy as well as turbulent energy spectrum and vorticity distribution.

The rise of neural network-based machine learning ushered in high-level libraries, including TensorFlow and PyTorch, to support their functionality. Computational fluid dynamics (CFD) researchers have benefited from this trend and produced powerful neural networks that promise shorter simulation times. For example, multilayer perceptrons (MLPs) and Long Short Term Memory (LSTM) recurrent-based (RNN) architectures can represent sub-grid physical effects, like turbulence. Implementing neural networks in CFD solvers is challenging because the programming languages used for machine learning and CFD are mostly non-overlapping, We present the roseNNa library, which bridges the gap between neural network inference and CFD. RoseNNa is a non-invasive, lightweight (1000 lines), and performant tool for neural network inference, with focus on the smaller networks used to augment PDE solvers, like those of CFD, which are typically written in C/C++ or Fortran. RoseNNa accomplishes this by automatically converting trained models from typical neural network training packages into a high-performance Fortran library with C and Fortran APIs. This reduces the effort needed to access trained neural networks and maintains performance in the PDE solvers that CFD researchers build and rely upon. Results show that RoseNNa reliably outperforms PyTorch (Python) and libtorch (C++) on MLPs and LSTM RNNs with less than 100 hidden layers and 100 neurons per layer, even after removing the overhead cost of API calls. Speedups range from a factor of about 10 and 2 faster than these established libraries for the smaller and larger ends of the neural network size ranges tested.

Turbulent flow simulation plays a crucial role in various applications, including aircraft and ship design, industrial process optimization, and weather prediction. In this paper, we propose an advanced data-driven method for simulating turbulent flow, representing a significant improvement over existing approaches. Our methodology combines the strengths of Video Prediction Transformer (VPTR) (Ye & Bilodeau, 2022) and Multigrid Architecture (MgConv, MgResnet) (Ke et al., 2017). VPTR excels in capturing complex spatiotemporal dependencies and handling large input data, making it a promising choice for turbulent flow prediction. Meanwhile, Multigrid Architecture utilizes multiple grids with different resolutions to capture the multiscale nature of turbulent flows, resulting in more accurate and efficient simulations. Through our experiments, we demonstrate the effectiveness of our proposed approach, named MGxTransformer, in accurately predicting velocity, temperature, and turbulence intensity for incompressible turbulent flows across various geometries and flow conditions. Our results exhibit superior accuracy compared to other baselines, while maintaining computational efficiency. Our implementation in PyTorch is available publicly at https://github.com/Combi2k2/MG-Turbulent-Flow

Machine learning (ML) is a rapidly developing field of research that has transformed the state-of-the-art capabilities for many traditional tasks in computer science, such as image classification and captioning, natural language processing, and recommender systems. The numerous success stories of ML have led to widespread adoption in the scientific and engineering communities as well, fueled by a growing wealth of data, computing resources, and advanced optimization algorithms. This is especially true in the field of fluid mechanics, where emerging technologies complement existing computational and experimental methods, providing a unified approach to building models from data [5]. Despite these advancements, there remains a gap in understanding how ML can be best integrated with computational fluid dynamics (CFD). This paper aims to explore the synergies between ML and CFD, showcasing the potential benefits and challenges in combining these fields. ML can advance CFD in areas such as turbulence modeling, development of inflow boundary conditions, subgrid-scale models for large-eddy simulations (LES), closures for Reynolds-averaged Navier-Stokes (RANS) equations, development of reduced-order models (ROMs), and flow control [29]. Our approach is to first examine established techniques, such as proper-orthogonal decomposition (POD) and dynamic-mode decomposition (DMD), alongside deep-learning techniques with autoencoders. Next, we delve into emerging opportunities where ML and CFD can be further integrated, highlighting ongoing challenges and potential solutions. We conclude by summarizing the insights gained and potential future directions for this interdisciplinary research.

Machine learning is rapidly becoming a core technology for scientific computing, with numerous opportunities to advance the field of computational fluid dynamics. Here we highlight some of the areas of highest potential impact, including to accelerate direct numerical simulations, to improve turbulence closure modeling and to develop enhanced reduced-order models. We also discuss emerging areas of machine learning that are promising for computational fluid dynamics, as well as some potential limitations that should be taken into account. Machine learning has been used to accelerate the simulation of fluid dynamics. However, despite the recent developments in this field, there are still challenges to be addressed by the community, a fact that creates research opportunities.