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Many problems arising in applications result in the need to probe a probability distribution for functions. Examples include Bayesian nonparametric statistics and conditioned diffusion processes. Standard MCMC algorithms typically become arbitrarily slow under the mesh refinement dictated by nonparametric description of the unknown function. We describe an approach to modifying a whole range of MCMC methods, applicable whenever the target measure has density with respect to a Gaussian process or Gaussian random field reference measure, which ensures that their speed of convergence is robust under mesh refinement. Gaussian processes or random fields are fields whose marginal distributions, when evaluated at any finite set of N points, are RN -valued Gaussians. The algorithmic approach that we describe is applicable not only when the desired probability measure has density with respect to a Gaussian process or Gaussian random field reference measure, but also to some useful non-Gaussian reference measures constructed through random truncation. In the applications of interest the data is often sparse and the prior specification is an essential part of the overall modelling strategy. These Gaussian-based reference measures are a very flexible modelling tool, finding wide-ranging application. Examples are shown in density estimation, data assimilation in fluid mechanics, subsurface geophysics and image registration. The key design principle is to formulate the MCMC method so that it is, in principle, applicable for functions; this may be achieved by use of proposals based on carefully chosen time-discretizations of stochastic dynamical systems which exactly preserve the Gaussian reference measure. Taking this approach leads to many new algorithms which can be implemented via minor modification of existing algorithms, yet which show enormous speed-up on a wide range of applied problems.

The proximal gradient and its variants is one of the most attractive first-order algorithm for minimizing the sum of two convex functions, with one being nonsmooth. However, it requires the differentiable part of the objective to have a Lipschitz continuous gradient, thus precluding its use in many applications. In this paper we introduce a framework which allows to circumvent the intricate question of Lipschitz continuity of gradients by using an elegant and easy to check convexity condition which captures the geometry of the constraints. This condition translates into a new descent lemma which in turn leads to a natural derivation of the proximal-gradient scheme with Bregman distances. We then identify a new notion of asymmetry measure for Bregman distances, which is central in determining the relevant step-size. These novelties allow to prove a global sublinear rate of convergence, and as a by-product, global pointwise convergence is obtained. This provides a new path to a broad spectrum of problems arising in key applications which were, until now, considered as out of reach via proximal gradient methods. We illustrate this potential by showing how our results can be applied to build new and simple schemes for Poisson inverse problems.

This paper describes a new MATLAB software package of iterative regularization methods and test problems for large-scale linear inverse problems. The software package, called IR TOOLS, serves two related purposes: we provide implementations of a range of iterative solvers, including several recently proposed methods that are not available elsewhere, and we provide a set of large-scale test problems in the form of discretizations of 2D linear inverse problems. The solvers include iterative regularization methods where the regularization is due to the semi-convergence of the iterations, Tikhonov-type formulations where the regularization is explicitly formulated in the form of a regularization term, and methods that can impose bound constraints on the computed solutions. All the iterative methods are implemented in a very flexible fashion that allows the problem’s coefficient matrix to be available as a (sparse) matrix, a function handle, or an object. The most basic call to all of the various iterative methods requires only this matrix and the right hand side vector; if the method uses any special stopping criteria, regularization parameters, etc., then default values are set automatically by the code. Moreover, through the use of an optional input structure, the user can also have full control of any of the algorithm parameters. The test problems represent realistic large-scale problems found in image reconstruction and several other applications. Numerical examples illustrate the various algorithms and test problems available in this package.

We present a computational framework for estimating the uncertainty in the numerical solution of linearized infinite-dimensional statistical inverse problems. We adopt the Bayesian inference formulation: given observational data and their uncertainty, the governing forward problem and its uncertainty, and a prior probability distribution describing uncertainty in the parameter field, find the posterior probability distribution over the parameter field. The prior must be chosen appropriately in order to guarantee well-posedness of the infinite-dimensional inverse problem and facilitate computation of the posterior. Furthermore, straightforward discretizations may not lead to convergent approximations of the infinite-dimensional problem. And finally, solution of the discretized inverse problem via explicit construction of the covariance matrix is prohibitive due to the need to solve the forward problem as many times as there are parameters. Our computational framework builds on the infinite-dimensional formulation proposed by Stuart [Acta Numer., 19 (2010), pp. 451--559] and incorporates a number of components aimed at ensuring a convergent discretization of the underlying infinite-dimensional inverse problem. The framework additionally incorporates algorithms for manipulating the prior, constructing a low rank approximation of the data-informed component of the posterior covariance operator, and exploring the posterior that together ensure scalability of the entire framework to very high parameter dimensions. We demonstrate this computational framework on the Bayesian solution of an inverse problem in three-dimensional global seismic wave propagation with hundreds of thousands of parameters. [PUBLICATION ABSTRACT]

In this paper we investigate a variety of deep learning strategies for solving inverse problems. We classify existing deep learning solutions for inverse problems into three categories of Direct Mapping, Data Consistency Optimizer, and Deep Regularizer. We choose a sample of each inverse problem type, so as to compare the robustness of the three categories, and report a statistical analysis of their differences. We perform extensive experiments on the classic problem of linear regression and three well-known inverse problems in computer vision, namely image denoising, 3D human face inverse rendering, and object tracking, in presence of noise and outliers, are selected as representative prototypes for each class of inverse problems. The overall results and the statistical analyses show that the solution categories have a robustness behaviour dependent on the type of inverse problem domain, and specifically dependent on whether or not the problem includes measurement outliers. Based on our experimental results, we conclude by proposing the most robust solution category for each inverse problem class.

We address the numerical solution of infinite-dimensional inverse problems in the framework of Bayesian inference. In Part I of this paper [T. Bui-Thanh, O. Ghattas, J. Martin, and G. Stadler, SIAM J. Sci. Comput. , 35 (2013), pp. A2494--A2523] we considered the linearized infinite-dimensional inverse problem. In Part II, we relax the linearization assumption and consider the fully nonlinear infinite-dimensional inverse problem using a Markov chain Monte Carlo (MCMC) sampling method. To address the challenges of sampling high-dimensional probability density functions (pdfs) arising upon discretization of Bayesian inverse problems governed by PDEs, we build upon the stochastic Newton MCMC method. This method exploits problem structure by taking as a proposal density a local Gaussian approximation of the posterior pdf, whose covariance operator is given by the inverse of the local Hessian of the negative log posterior pdf. The construction of the covariance is made tractable by invoking a low-rank approximation of the data misfit component of the Hessian. Here we introduce an approximation of the stochastic Newton proposal in which we compute the low-rank-based Hessian at just the maximum a posteriori (MAP) point, and then reuse this Hessian at each MCMC step. We compare the performance of the proposed method to the original stochastic Newton MCMC method and to an independence sampler. The comparison of the three methods is conducted on a synthetic ice sheet inverse problem. For this problem, the stochastic Newton MCMC method with a MAP-based Hessian converges at least as rapidly as the original stochastic Newton MCMC method, but is far cheaper since it avoids recomputing the Hessian at each step. On the other hand, it is more expensive per sample than the independence sampler; however, its convergence is significantly more rapid, and thus overall it is much cheaper. Finally, we present extensive analysis and interpretation of the posterior distribution and classify directions in parameter space based on the extent to which they are informed by the prior or the observations.

Localizing leakages in large water distribution systems is an important and ever-present problem. Due to the complexity originating from water pipeline networks, too few sensors, and noisy measurements, this is a highly challenging problem to solve. In this work, we present a methodology based on generative deep learning and Bayesian inference for leak localization with uncertainty quantification. A generative model, utilizing deep neural networks, serves as a probabilistic surrogate model that replaces the full equations, while at the same time also incorporating the uncertainty inherent in such models. By embedding this surrogate model into a Bayesian inference scheme, leaks are located by combining sensor observations with a model output approximating the true posterior distribution for possible leak locations. We show that our methodology enables producing fast, accurate, and trustworthy results. It showed a convincing performance on three problems with increasing complexity. For a simple test case, the Hanoi network, the average topological distance (ATD) between the predicted and true leak location ranged from 0.3 to 3 with a varying number of sensors and level of measurement noise. For two more complex test cases, the ATD ranged from 0.75 to 4 and from 1.5 to 10, respectively. Furthermore, accuracies upwards of 83%, 72%, and 42% were achieved for the three test cases, respectively. The computation times ranged from 0.1 to 13 s, depending on the size of the neural network employed. This work serves as an example of a digital twin for a sophisticated application of advanced mathematical and deep learning techniques in the area of leak detection.

Neural Operators offer a powerful, data-driven tool for solving parametric PDEs as they can represent maps between infinite-dimensional function spaces. In this work, we employ physics-informed Neural Operators in the context of high-dimensional, Bayesian inverse problems. Traditional solution strategies necessitate an enormous, and frequently infeasible, number of forward model solves, as well as the computation of parametric derivatives. In order to enable efficient solutions, we extend Deep Operator Networks (DeepONets) by employing a RealNVP architecture which yields an invertible and differentiable map between the parametric input and the branch-net output. This allows us to construct accurate approximations of the full posterior, irrespective of the number of observations and the magnitude of the observation noise, without any need for additional forward solves nor for cumbersome, iterative sampling procedures. We demonstrate the efficacy and accuracy of the proposed methodology in the context of inverse problems for three benchmarks: an anti-derivative equation, reaction-diffusion dynamics and flow through porous media.

Deep convolutional networks have become a popular tool for image generation and restoration. Generally, their excellent performance is imputed to their ability to learn realistic image priors from a large number of example images. In this paper, we show that, on the contrary, the structure of a generator network is sufficient to capture a great deal of low-level image statistics prior to any learning. In order to do so, we show that a randomly-initialized neural network can be used as a handcrafted prior with excellent results in standard inverse problems such as denoising, super-resolution, and inpainting. Furthermore, the same prior can be used to invert deep neural representations to diagnose them, and to restore images based on flash-no flash input pairs. Apart from its diverse applications, our approach highlights the inductive bias captured by standard generator network architectures. It also bridges the gap between two very popular families of image restoration methods: learning-based methods using deep convolutional networks and learning-free methods based on handcrafted image priors such as self-similarity (Code and supplementary material are available at https://dmitryulyanov.github.io/deep_image_prior).