In this paper, we address the challenging problem of optimal experimental design (OED) of constrained inverse problems. We consider two OED formulations that allow reducing the experimental costs by minimizing the number of measurements. The first formulation assumes a fine discretization of the design parameter space and uses sparsity promoting regularization to obtain an efficient design. The second formulation parameterizes the design and seeks optimal placement for these measurements by solving a small-dimensional optimization problem. We consider both problems in a Bayes risk as well as an empirical Bayes risk minimization framework. For the unconstrained inverse state problem, we exploit the closed form solution for the inner problem to efficiently compute derivatives for the outer OED problem. The empirical formulation does not require an explicit solution of the inverse problem and therefore allows to integrate constraints efficiently. A key contribution is an efficient optimization method for solving the resulting, typically high-dimensional, bilevel optimization problem using derivative-based methods. To overcome the lack of non-differentiability in active set methods for inequality constraints problems, we use a relaxed interior point method. To address the growing computational complexity of empirical Bayes OED, we parallelize the computation over the training models. Numerical examples and illustrations from tomographic reconstruction, for various data sets and under different constraints, demonstrate the impact of constraints on the optimal design and highlight the importance of OED for constrained problems.
In this paper we the formulation of inverse problems as constrained minimization problems and their iterative solution by gradient or Newton type. We carry out a convergence analysis in the sense of regularization methods and discuss applicability to the problem of identifying the spatially varying diffusivity in an elliptic PDE from different sets of observations. Among these is a novel hybrid imaging techology known as impedance acoustic tomography, for which we provide numerical experiments.
We propose a novel approach to model viscoelasticity materials using neural networks, which capture rate-dependent and nonlinear constitutive relations. However, inputs and outputs of the neural networks are not directly observable, and therefore common training techniques with input-output pairs for the neural networks are inapplicable. To that end, we develop a novel computational approach to both calibrate parametric and learn neural-network-based constitutive relations of viscoelasticity materials from indirect displacement data in the context of multi-physics interactions. We show that li…
This paper develops meshless methods for probabilistically describing discretisation error in the numerical solution of partial differential equations. This construction enables the solution of Bayesian inverse problems while accounting for the impact of the discretisation of the forward problem. In particular, this drives statistical inferences to be more conservative in the presence of significant solver error. Theoretical results are presented describing rates of convergence for the posteriors in both the forward and inverse problems. This method is tested on a challenging inverse problem w…
Inverse source approaches have shown their relevance for several applications in the past years. They rely on the solution of an ill-posed problem where near-field/current data is reconstructed starting from far-field (or less informative field) information. Standard strategies, including the physically constrained ones using Love conditions, result in linear systems to be pseudoinverted which are still ill-conditioned due to the lack of information from the evanescent fields. In this work we present a generalized pseudoinverse for those problems that allows the inclusion of extra constraints …
The stochastic inverse eigenvalue problem aims to reconstruct a stochastic matrix from its spectrum. While there exists a large literature on the existence of solutions for special settings, there are only few numerical solution methods available so far. Recently, Zhao et al. (2016) proposed a constrained optimization model on the manifold of so-called isospectral matrices and adapted a modified Polak-Ribière-Polyak conjugate gradient method to the geometry of this manifold. However, not every stochastic matrix is an isospectral one and the model from Zhao et al. is based on the assumption tha…
Physics-informed neural networks (PINNs) have been proposed to learn the solution of partial differential equations (PDE). In PINNs, the residual form of the PDE of interest and its boundary conditions are lumped into a composite objective function as soft penalties. Here, we show that this specific way of formulating the objective function is the source of severe limitations in the PINN approach when applied to different kinds of PDEs. To address these limitations, we propose a versatile framework based on a constrained optimization problem formulation, where we use the augmented Lagrangian m…
Inverse problems constrained by partial differential equations (PDEs) play a critical role in model development and calibration. In many applications, there are multiple uncertain parameters in a model that must be estimated. However, high dimensionality of the parameters and computational complexity of the PDE solves make such problems challenging. A common approach is to reduce the dimension by fixing some parameters (which we will call auxiliary parameters) to a best estimate and use techniques from PDE-constrained optimization to estimate the other parameters. In this article, hyper-differ…
Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that measures the discrepancy between predictions and observations in some chosen norm. This loss function often includes the PDE constraints as a penalty term when only sparse observations are available. As a result, the PDE is only satisfied approximately by the solution. However, the penalty term typically slows down the convergence of the optimizer for stiff…
Optimal mass transport, also known as the earth mover's problem, is an optimization problem with important applications in various disciplines, including economics, probability theory, fluid dynamics, cosmology and geophysics to cite a few. Optimal transport has also found successful applications in image registration, content-based image retrieval, and more generally in pattern recognition and machine learning as a way to measure dissimilarity among data. This paper introduces the problem of constrained optimal transport. The time-dependent formulation, more precisely, the fluid dynamics appr…
In this paper, we extend the correspondence between Bayesian estimation and optimal smoothing in a Reproducing Kernel Hilbert Space (RKHS) adding a convexe constraints on the solution. Through a sequence of approximating Hilbertian spaces and a discretized model, we prove that the Maximum A Posteriori (MAP) of the posterior distribution is exactly the optimal constrained smoothing function in the RKHS. This paper can be read as a generalization of the paper [7] of Kimeldorf-Wahba where it is proved that the optimal smoothing solution is the mean of the posterior distribution.
Standard regularization methods that are used to compute solutions to ill-posed inverse problems require knowledge of the forward model. In many real-life applications, the forward model is not known, but training data is readily available. In this paper, we develop a new framework that uses training data, as a substitute for knowledge of the forward model, to compute an optimal low-rank regularized inverse matrix directly, allowing for very fast computation of a regularized solution. We consider a statistical framework based on Bayes and empirical Bayes risk minimization to analyze theoretica…
Mathematical modeling and simulation of complex physical systems based on partial differential equations (PDEs) have been widely used in engineering and industrial applications. To enable reliable predictions, it is crucial yet challenging to calibrate the model by inferring unknown parameters/fields (e.g., boundary conditions, mechanical properties, and operating parameters) from sparse and noisy measurements, which is known as a PDE-constrained inverse problem. In this work, we develop a novel bi-fidelity (BF) ensemble Kalman inversion method to tackle this challenge, leveraging the accuracy…
We consider optimal design of PDE-based Bayesian linear inverse problems with infinite-dimensional parameters. We focus on the A-optimal design criterion, defined as the average posterior variance and quantified by the trace of the posterior covariance operator. We propose using structure exploiting randomized methods to compute the A-optimal objective function and its gradient, and provide a detailed analysis of the error for the proposed estimators. To ensure sparse and binary design vectors, we develop a novel reweighted $\ell_1$-minimization algorithm. We also introduce a modified A-optima…
