Uncertainty quantification for DeepONets with ensemble Kalman inversion

Andrew Pensoneault; Xueyu Zhu

doi:10.1016/j.jcp.2024.113670

In recent years, operator learning, particularly the DeepONet, has received much attention for efficiently learning complex mappings between input and output functions across diverse fields. However, in practical scenarios with limited and noisy data, accessing the uncertainty in DeepONet predictions becomes essential, especially in mission-critical or safety-critical applications. Existing methods, either computationally intensive or yielding unsatisfactory uncertainty quantification, leave room for developing efficient and informative uncertainty quantification (UQ) techniques tailored for DeepONets. In this work, we proposed a novel inference approach for efficient UQ for operator learning by harnessing the power of the Ensemble Kalman Inversion (EKI) approach. EKI, known for its derivative-free, noise-robust, and highly parallelizable feature, has demonstrated its advantages for UQ for physics-informed neural networks [30]. Our innovative application of EKI enables us to efficiently train ensembles of DeepONets while obtaining informative uncertainty estimates for the output of interest. We deploy a minibatch variant of EKI to accommodate larger datasets, mitigating the computational demand due to large datasets during the training stage. Furthermore, we introduce a heuristic method to estimate the artificial dynamics covariance, thereby improving our uncertainty estimates. Finally, we demonstrate the effectiveness and versatility of our proposed methodology across various benchmark problems, showcasing its potential to address the pressing challenges of uncertainty quantification in DeepONets, especially for practical applications with limited and noisy data. •We introduced a new uncertainty quantification (UQ) algorithm for DeepONets by leveraging ensemble Kalman inversion.•We recast the setting of DeepONets as a traditional inverse problem so that EKI can be applied.•We introduced a heuristic method to estimate the artificial dynamics covariance in EKI to improve the uncertainty estimates.•We showcase the efficacy of our method in providing informative uncertainty estimate for the predictions by DeepONets.

Uncertainty quantification for DeepONets with ensemble Kalman inversion

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