Surrogate modeling and uncertainty quantification tasks for PDE systems are most often considered as supervised learning problems where input and output data pairs are used for training. The construction of such emulators is by definition a small data problem which poses challenges to deep learning approaches that have been developed to operate in the big data regime. Even in cases where such models have been shown to have good predictive capability in high dimensions, they fail to address constraints in the data implied by the PDE model. This paper provides a methodology that incorporates the governing equations of the physical model in the loss/likelihood functions. The resulting physics-constrained, deep learning models are trained without any labeled data (e.g. employing only input data) and provide comparable predictive responses with data-driven models while obeying the constraints of the problem at hand. This work employs a convolutional encoder-decoder neural network approach as well as a conditional flow-based generative model for the solution of PDEs, surrogate model construction, and uncertainty quantification tasks. The methodology is posed as a minimization problem of the reverse Kullback-Leibler (KL) divergence between the model predictive density and the reference conditional density, where the later is defined as the Boltzmann-Gibbs distribution at a given inverse temperature with the underlying potential relating to the PDE system of interest. The generalization capability of these models to out-of-distribution input is considered. Quantification and interpretation of the predictive uncertainty is provided for a number of problems.

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a b s t r a c tThis paper proposes a hierarchical, multi-resolution framework for the identification of model parameters and their spatially variability from noisy measurements of the response or output. Such parameters are frequently encountered in PDE-based models and correspond to quantities such as density or pressure fields, elasto-plastic moduli and internal variables in solid mechanics, conductivity fields in heat diffusion problems, permeability fields in fluid flow through porous media etc. The proposed model has all the advantages of traditional Bayesian formulations such as the ability to produce measures of confidence for the inferences made and providing not only predictive estimates but also quantitative measures of the predictive uncertainty. In contrast to existing approaches it utilizes a parsimonious, non-parametric formulation that favors sparse representations and whose complexity can be determined from the data. The proposed framework in non-intrusive and makes use of a sequence of forward solvers operating at various resolutions. As a result, inexpensive, coarse solvers are used to identify the most salient features of the unknown field(s) which are subsequently enriched by invoking solvers operating at finer resolutions. This leads to significant computational savings particularly in problems involving computationally demanding forward models but also improvements in accuracy. It is based on a novel, adaptive scheme based on Sequential Monte Carlo sampling which is embarrassingly parallelizable and circumvents issues with slow mixing encountered in Markov Chain Monte Carlo schemes. The capabilities of the proposed methodology are illustrated in problems from nonlinear solid mechanics with special attention to cases where the data is contaminated with random noise and the scale of variability of the unknown field is smaller than the scale of the grid where observations are collected.