Machine Learning-based models in particle-in-cell codes for advanced physics extensions

Abstract

In this paper we propose a methodology for the efficient implementation of Machine Learning (ML)-based methods in particle-in-cell (PIC) codes, with a focus on Monte-Carlo or statistical extensions to the PIC algorithm. The presented approach allows for neural networks to be developed in a Python environment, where advanced ML tools are readily available to proficiently train and test them. Those models are then efficiently deployed within highly-scalable and fully parallelized PIC simulations during runtime. We demonstrate this methodology with a proof-of-concept implementation within the PIC code OSIRIS, where a fully-connected neural network is used to replace a section of a Compton scattering module. We demonstrate that the ML-based method reproduces the results obtained with the conventional method and achieves better computational performance. These results offer a promising avenue for future applications of ML-based methods in PIC, particularly for physics extensions where an ML-based approach can provide a higher performance increase.