Constructing Physics-Informed Neural Networks with Architecture Based on Analytical Modification of Numerical Methods by Solving the Problem of Modelling Processes in a Chemical Reactor

Abstract

A novel type of neural network with an architecture based on physics is proposed. The network structure builds on a body of analytical modifications of classical numerical methods. A feature of the constructed neural networks is defining parameters of the governing equations as trainable parameters. Constructing the network is carried out in three stages. In the first step, a neural network solution to an equation corresponding to a numerical scheme is constructed. It allows for forming an initial low-fidelity neural network solution to the original problem. At the second stage, the network with physics-based architecture (PBA) is further trained to solve the differential equation by minimising the loss function, as is typical in works devoted to physics-informed neural networks (PINNs). In the third stage, the physics-informed neural network with architecture based on physics (PBA-PINN) is trained on high-fidelity sensor data, parameters are identified, or another task of interest is solved. This approach makes it possible to solve insufficiently studied PINN problems: selecting neural network architecture and successfully initialising network weights corresponding to the problem being solved that ensure rapid convergence to the loss function minimum. It is advisable to use the devised PBA-PINNs in the problems of surrogate modelling and modelling real objects with multi-fidelity data. The effectiveness of the approach proposed is demonstrated using the problem of modelling processes in a chemical reactor. Experiments show that subsequent retraining of the initial low-fidelity PBA model based on a few high-accuracy data leads to the achievement of relatively high accuracy.

Keywords

• PINN
• numerical method
• analytical modification
• shooting method
• data-driven modelling
• chemical reactor