Title: Mixture of neural operator experts for learning boundary conditions and model selection
Primary area: applications to physical sciences (physics, chemistry, biology, etc.)
Keywords: neural operators, variational inference, fluid mechanics

Abstract: While Fourier-based neural operators are best suited to learning mappings between functions on periodic domains, several works have introduced techniques for incorporating non trivial boundary conditions. However, all previously introduced methods have restrictions that limit their applicability. In this work, we introduce an alternative approach to imposing boundary conditions inspired by volume penalization from numerical methods and Mixture of Experts (MoE) from machine learning. By introducing competing experts, the approach additionally allows for model selection. To demonstrate the method, we combine a spatially conditioned MoE with the Fourier based, Modal Operator Regression for Physics (MOR-Physics) neural operator and recover a nonlinear operator on a disk and quarter disk. Next, we extract a large eddy simulation (LES) model from direct numerical simulation of channel flow and show the domain decomposition provided by our approach. Finally, we train our LES model with Bayesian variational inference and obtain posterior predictive samples of flow far past the DNS simulation time horizon.