Transient computational fluid dynamics (CFD) simulations are essential for many industrial applications, but a significant portion of their computational cost stems from the time needed to reach statistical steadiness from initial conditions. We present a novel machine learning-based initialization method that reduces the cost of this subsequent transient solve substantially, achieving a 50% reduction in time-to-convergence compared to traditional uniform and potential flow-based initializations. Through a case study in automotive aerodynamics using a 16.7M-cell unsteady RANS simulation, we evaluate three ML-based initialization strategies. Two of these strategies are recommended for general use: (1) a physics-informed hybrid method combining ML predictions with potential flow solutions, and (2) a more versatile approach integrating ML predictions with uniform flow. Both strategies enable CFD solvers to achieve convergence times comparable to computationally expensive steady RANS initializations, while requiring only seconds of computation. We develop a robust statistical convergence metric based on windowed time-averaging for performance comparison between initialization strategies. Notably, these improvements are achieved using an ML model trained on a different dataset of automotive geometries, demonstrating strong generalization capabilities. The proposed methods integrate seamlessly with existing CFD workflows without requiring modifications to the underlying flow solver, providing a practical approach to accelerating industrial CFD simulations through improved ML-based initialization strategies.

Numerical simulations play a critical role in design and development of engineering products and processes. Traditional computational methods, such as CFD, can provide accurate predictions but are computationally expensive, particularly for complex geometries. Several machine learning (ML) models have been proposed in the literature to significantly reduce computation time while maintaining acceptable accuracy. However, ML models often face limitations in terms of accuracy and scalability and depend on significant mesh downsampling, which can negatively affect prediction accuracy and generalization. In this work, we propose a novel ML model architecture, DoMINO (Decomposable Multi-scale Iterative Neural Operator) developed in NVIDIA Modulus to address the various challenges of machine learning based surrogate modeling of engineering simulations. DoMINO is a point cloudbased ML model that uses local geometric information to predict flow fields on discrete points. The DoMINO model is validated for the automotive aerodynamics use case using the DrivAerML dataset. Through our experiments we demonstrate the scalability, performance, accuracy and generalization of our model to both in-distribution and out-of-distribution testing samples. Moreover, the results are analyzed using a range of engineering specific metrics important for validating numerical simulations.

Graph Neural Networks (GNNs) have gained significant traction for simulating complex physical systems, with models like MeshGraphNet demonstrating strong performance on unstructured simulation meshes. However, these models face several limitations, including scalability issues, requirement for meshing at inference, and challenges in handling long-range interactions. In this work, we introduce X-MeshGraphNet, a scalable, multi-scale extension of MeshGraphNet designed to address these challenges. X-MeshGraphNet overcomes the scalability bottleneck by partitioning large graphs and incorporating halo regions that enable seamless message passing across partitions. This, combined with gradient aggregation, ensures that training across partitions is equivalent to processing the entire graph at once. To remove the dependency on simulation meshes, X-MeshGraphNet constructs custom graphs directly from tessellated geometry files (e.g., STLs) by generating point clouds on the surface or volume of the object and connecting k-nearest neighbors. Additionally, our model builds multi-scale graphs by iteratively combining coarse and fine-resolution point clouds, where each level refines the previous, allowing for efficient long-range interactions. Our experiments demonstrate that X-MeshGraphNet maintains the predictive accuracy of full-graph GNNs while significantly improving scalability and flexibility. This approach eliminates the need for time-consuming mesh generation at inference, offering a practical solution for real-time simulation across a wide range of applications. The code for reproducing the results presented in this paper is available through NVIDIA Modulus.