Kumar Saurabh

Biswajit Khara, Ethan Herron, Zhanhong Jiang et al.

Neural network-based approaches for solving partial differential equations (PDEs) have recently received special attention. However, the large majority of neural PDE solvers only apply to rectilinear domains, and do not systematically address the imposition of Dirichlet/Neumann boundary conditions over irregular domain boundaries. In this paper, we present a framework to neurally solve partial differential equations over domains with irregularly shaped (non-rectilinear) geometric boundaries. Our network takes in the shape of the domain as an input (represented using an unstructured point cloud, or any other parametric representation such as Non-Uniform Rational B-Splines) and is able to generalize to novel (unseen) irregular domains; the key technical ingredient to realizing this model is a novel approach for identifying the interior and exterior of the computational grid in a differentiable manner. We also perform a careful error analysis which reveals theoretical insights into several sources of error incurred in the model-building process. Finally, we showcase a wide variety of applications, along with favorable comparisons with ground truth solutions.

Philipp A. Witte, Russell J. Hewett, Kumar Saurabh et al.

Solving partial differential equations with deep learning makes it possible to reduce simulation times by multiple orders of magnitude and unlock scientific methods that typically rely on large numbers of sequential simulations, such as optimization and uncertainty quantification. Two of the largest challenges of adopting scientific AI for industrial problem settings is that training datasets must be simulated in advance and that neural networks for solving large-scale PDEs exceed the memory capabilities of current GPUs. We introduce a distributed programming API in the Julia language for simulating training data in parallel on the cloud and without requiring users to manage the underlying HPC infrastructure. In addition, we show that model-parallel deep learning based on domain decomposition allows us to scale neural networks for solving PDEs to commercial-scale problem settings and achieve above 90% parallel efficiency. Combining our cloud API for training data generation and model-parallel deep learning, we train large-scale neural networks for solving the 3D Navier-Stokes equation and simulating 3D CO2 flow in porous media. For the CO2 example, we simulate a training dataset based on a commercial carbon capture and storage (CCS) project and train a neural network for CO2 flow simulation on a 3D grid with over 2 million cells that is 5 orders of magnitudes faster than a conventional numerical simulator and 3,200 times cheaper.