Askold Vilkha

Tomasz Służalec, Marcin Łoś, Askold Vilkha et al.

We explore the possibility of solving Partial Differential Equations (PDEs) using discrete weak formulations. We propose a programming environment for defining a discrete computational domain, introducing discrete functions defined over a set of points, constructing discrete inner products, and introducing discrete weak formulations employing Kronecker delta test functions. Building on this setup, we propose a discrete neural network representation, training the solution function defined over a discrete set of points and employing discrete finite difference derivatives in the automatic differentiation procedures. As a challenging computational model example, we focus on Stokes equations in two-dimensions, defined over a discrete set of points. We train the solution using the discrete weak residual and the Adamax algorithm with discrete automatic differentiation of the discrete gradients. Despite introducing the python environment, we also provide a rigorous mathematical formulation based on discrete weak formulations, proving the well-posedness and robustness of the loss function. The solution of the discrete weak formulations is based on neural network training employing a robust loss function that is related to the true error. In this way, we have a robust control of the numerical error during the training of the neural networks. Besides the Stokes formulation, we also explain the functionality of the proposed library using the Laplace problem formulation.

Askold Vilkha, Tomasz Służalec, Marcin Łoś et al.

This paper presents the hybrid solver for a $CO_2$ sequestration problem. The solver uses the IGA-ADS (IsoGeometric Analysis Alternating Directions solver) to compute the saturation scalar field update using the explicit method, and CRVPINN (Collocation-based Robust Variational Physics Informed Neural Networks solver) to compute the pressure scalar field. The study focuses on simulating the physical behavior of $CO_2$ in porous structures, excluding chemical reactions. The mathematical model is based on Darcy's Law. The CRVPINN is pretrained on the initial pressure configuration, and the time step pressure updates require only 100 iterations of the Adam method per time step. We compare our hybrid IGA-ADS solver, coupled with the CRVPINN method, with a baseline of the IGA-ADS solver coupled with the MUMPS direct solver. Our hybrid solver is over 3 times faster on a single computational node from the ARES cluster of ACK CYFRONET. Future work includes extensive testing, inverse problem solving, and potential application to $H_2$ storage problems.

Marcin Łoś, Tomasz Służalec, Paweł Maczuga et al.

Physics-Informed Neural Networks (PINNs) have been successfully applied to solve Partial Differential Equations (PDEs). Their loss function is founded on a strong residual minimization scheme. Variational Physics-Informed Neural Networks (VPINNs) are their natural extension to weak variational settings. In this context, the recent work of Robust Variational Physics-Informed Neural Networks (RVPINNs) highlights the importance of conveniently translating the norms of the underlying continuum-level spaces to the discrete level. Otherwise, VPINNs might become unrobust, implying that residual minimization might be highly uncorrelated with a desired minimization of the error in the energy norm. However, applying this robustness to VPINNs typically entails dealing with the inverse of a Gram matrix, usually producing slow convergence speeds during training. In this work, we accelerate the implementation of RVPINN, establishing a LU factorization of sparse Gram matrix in a kind of point-collocation scheme with the same spirit as original PINNs. We call out method the Collocation-based Robust Variational Physics Informed Neural Networks (CRVPINN). We test our efficient CRVPINN algorithm on Laplace, advection-diffusion, and Stokes problems in two spatial dimensions.