Variational inference in neural functional prior using normalizing flows: Application to differential equation and operator learning problems

TL;DR

This paper introduces a variational inference approach using normalizing flows to improve uncertainty quantification in physics-informed neural networks and deep operator networks, enabling efficient mini-batch training for large datasets.

Contribution

It proposes replacing Hamiltonian Monte Carlo with normalizing flows for posterior estimation in GAN-based physics-informed models, supporting mini-batch training.

Findings

Normalizing flows achieve similar accuracy to HMC in experiments.

Mini-batch training with NF is effective for large-scale problems.

Method improves uncertainty quantification in physics-informed deep learning.

Abstract

Physics-informed deep learning have recently emerged as an effective tool for leveraging both observational data and available physical laws. Physics-informed neural networks (PINNs) and deep operator networks (DeepONets) are two such models. The former encodes the physical laws via the automatic differentiation, while the latter learns the hidden physics from data. Generally, the noisy and limited observational data as well as the overparameterization in neural networks (NNs) result in uncertainty in predictions from deep learning models. In [1], a Bayesian framework based on the {{Generative Adversarial Networks}} (GAN) has been proposed as a unified model to quantify uncertainties in predictions of PINNs as well as DeepONets. Specifically, the proposed approach in [1] has two stages: (1) prior learning, and (2) posterior estimation. At the first stage, the GANs are employed to learn a functional prior either from a prescribed function distribution, e.g., Gaussian process, or from historical data and available physics. At the second stage, the Hamiltonian Monte Carlo (HMC) method is utilized to estimate the posterior in the latent space of GANs. However, the vanilla HMC does not support the mini-batch training, which limits its applications in problems with big data. In the present work, we propose to use the normalizing flow (NF) models in the context of variational inference, which naturally enables the minibatch training, as the alternative to HMC for posterior estimation in the latent space of GANs. A series of numerical experiments, including a nonlinear differential equation problem and a 100-dimensional Darcy problem, are conducted to demonstrate that NF with full-/mini-batch training are able to achieve similar accuracy as the ``gold rule'' HMC.