Graph Neural Network Based Surrogate Model of Physics Simulations for Geometry Design

Computational Intelligence (CI) techniques have shown great potential as a surrogate model of expensive physics simulation, with demonstrated ability to make fast predictions, albeit at the expense of accuracy in some cases. For many scientific and engineering problems involving geometrical design, it is desirable for the surrogate models to precisely describe the change in geometry and predict the consequences. In that context, we develop graph neural networks (GNNs) as fast surrogate models for physics simulation, which allow us to directly train the models on 2/3D geometry designs that are represented by an unstructured mesh or point cloud, without the need for any explicit or hand-crafted parameterization. We utilize an encoder-processor-decoder-type architecture which can flexibly make prediction at both node level and graph level. The performance of our proposed GNN-based surrogate model is demonstrated on 2 example applications: feature designs in the domain of additive engineering and airfoil design in the domain of aerodynamics. The models show good accuracy in their predictions on a separate set of test geometries after training, with almost instant prediction speeds, as compared to O(hour) for the high-fidelity simulations required otherwise.

An iterative multi-fidelity approach for model order reduction of multi-dimensional input parametric PDE systems

We propose a parametric sampling strategy for the reduction of large-scale PDE systems with multidimensional input parametric spaces by leveraging models of different fidelity. The design of this methodology allows a user to adaptively sample points ad hoc from a discrete training set with no prior requirement of error estimators. It is achieved by exploiting low-fidelity models throughout the parametric space to sample points using an efficient sampling strategy, and at the sampled parametric points, high-fidelity models are evaluated to recover the reduced basis functions. The low-fidelity models are then adapted with the reduced order models ( ROMs) built by projection onto the subspace spanned by the recovered basis functions. The process continues until the low-fidelity model can represent the high-fidelity model adequately for all the parameters in the parametric space. Since the proposed methodology leverages the use of low-fidelity models to assimilate the solution database, it significantly reduces the computational cost in the offline stage. The highlight of this article is to present the construction of the initial low-fidelity model, and a sampling strategy based on the discrete empirical interpolation method (DEIM). We test this approach on a 2D steady-state heat conduction problem for two different input parameters and make a qualitative comparison with the classical greedy reduced basis method (RBM), and further test on a 9-dimensional parametric non-coercive elliptic problem and analyze the computational performance based on different tuning of greedy selection of points.