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In the field of quantitative imaging, the image information at a pixel or voxel in an underlying domain entails crucial information about the imaged matter. This is particularly important in medical imaging applications, such as quantitative Magnetic Resonance Imaging (qMRI), where quantitative maps of biophysical parameters can characterize the imaged tissue and thus lead to more accurate diagnoses. Such quantitative values can also be useful in subsequent, automatized classification tasks in order to discriminate normal from abnormal tissue, for instance. The accurate reconstruction of these quantitative maps is typically achieved by solving two coupled inverse problems which involve a (forward) measurement operator, typically ill-posed, and a physical process that links the wanted quantitative parameters to the reconstructed qualitative image, given some underlying measurement data. In this review, by considering qMRI as a prototypical application, we provide a mathematically-oriented overview on how data-driven approaches can be employed in these inverse problems eventually improving the reconstruction of the associated quantitative maps.

Quasi-variational inequalities (QVIs) of obstacle type in many cases have multiple solutions that can be ordered. We study a multitude of properties of the operator mapping the source term to the minimal or maximal solution of such QVIs. We prove that the solution maps are locally Lipschitz continuous and directionally differentiable and show existence of optimal controls for problems that incorporate these maps as the control-to-state operator. We also consider a Moreau--Yosida-type penalisation for the QVI wherein we show that it is possible to approximate the minimal and maximal solutions by sequences of minimal and maximal solutions (respectively) of certain PDEs, which have a simpler structure and offer a convenient characterisation in particular for computation. For solution mappings of these penalised problems, we prove a number of properties including Lipschitz and differential stability. Making use of the penalised equations, we derive (in the limit) C-stationarity conditions for the control problem, in addition to the Bouligand stationarity we get from the differentiability result., Comment: 33 pages

In this work, we study physics-informed neural networks (PINNs) constrained by partial differential equations (PDEs) and their application in approximating PDEs with two characteristic scales. From a continuous perspective, our formulation corresponds to a non-standard PDE-constrained optimization problem with a PINN-type objective. From a discrete standpoint, the formulation represents a hybrid numerical solver that utilizes both neural networks and finite elements. For the problem analysis, we introduce a proper function space, and we develop a numerical solution algorithm. The latter combines an adjoint-based technique for the efficient gradient computation with automatic differentiation. This new multiscale method is then applied exemplarily to a heat transfer problem with oscillating coefficients. In this context, the neural network approximates a fine-scale problem, and a coarse-scale problem constrains the associated learning process. We demonstrate that incorporating coarse-scale information into the neural network training process via a weak convergence-based regularization term is beneficial. Indeed, while preserving upscaling consistency, this term encourages non-trivial PINN solutions and also acts as a preconditioner for the low-frequency component of the fine-scale PDE, resulting in improved convergence properties of the PINN method.

The analysis and boundary optimal control of the nonlinear transport of gas on a network of pipelines is considered. The evolution of the gas distribution on a given pipe is modeled by an isothermal semilinear compressible Euler system in one space dimension. On the network, solutions satisfying (at nodes) the so called Kirchhoff flux continuity conditions are shown to exist in a neighborhood of an equilibrium state. The associated nonlinear optimization problem then aims at steering such dynamics to a given target distribution by means of suitable (network) boundary controls while keeping the distribution within given (state) constraints. The existence of local optimal controls is established and a corresponding Karush-Kuhn-Tucker (KKT) stationarity system with an almost surely non-singular Lagrange multiplier is derived.

We propose and analyze a numerical algorithm for solving a class of optimal control problems for learning-informed semilinear partial differential equations. The latter is a class of PDEs with constituents that are in principle unknown and are approximated by nonsmooth ReLU neural networks. We first show that a direct smoothing of the ReLU network with the aim to make use of classical numerical solvers can have certain disadvantages, namely potentially introducing multiple solutions for the corresponding state equation. This motivates us to devise a numerical algorithm that treats directly the nonsmooth optimal control problem, by employing a descent algorithm inspired by a bundle-free method. Several numerical examples are provided and the efficiency of the algorithm is shown.

We consider a risk-averse optimal control problem governed by an elliptic variational inequality (VI) subject to random inputs. By deriving KKT-type optimality conditions for a penalised and smoothed problem and studying convergence of the stationary points with respect to the penalisation parameter, we obtain two forms of stationarity conditions. The lack of regularity with respect to the uncertain parameters and complexities induced by the presence of the risk measure give rise to new challenges unique to the stochastic setting. We also propose a path-following stochastic approximation algorithm using variance reduction techniques and demonstrate the algorithm on a modified benchmark problem., Comment: 31 pages

In this paper we study the optimal control of a class of semilinear elliptic partial differential equations which have nonlinear constituents that are only accessible by data and are approximated by nonsmooth ReLU neural networks. The optimal control problem is studied in detail. In particular, the existence and uniqueness of the state equation are shown, and continuity as well as directional differentiability properties of the corresponding control-to-state map are established. Based on approximation capabilities of the pertinent networks, we address fundamental questions regarding approximating properties of the learning-informed control-to-state map and the solution of the corresponding optimal control problem. Finally, several stationarity conditions are derived based on different notions of generalized differentiability., Comment: 24 pages, 1 figure

In this paper we consider a fluid-structure interaction problem given by the steady Navier Stokes equations coupled with linear elasticity taken from [Lasiecka, Szulc, and Zochoswki, Nonl. Anal.: Real World Appl., 44, 2018]. An elastic body surrounded by a liquid in a rectangular domain is deformed by the flow which can be controlled by the Dirichlet boundary condition at the inlet. On the walls along the channel homogeneous Dirichlet boundary conditions and on the outflow boundary do-nothing conditions are prescribed. We recall existence results for the nonlinear system from that reference and analyze the control to state mapping generalizing the results of [Wollner and Wick, J. Math. Fluid Mech., 21, 2019] to the setting of the nonlinear Navier-Stokes equation for the fluid and the situation of mixed boundary conditions in a domain with corners.

We analyze a potentially risk-averse convex stochastic optimization problem, where the control is deterministic and the state is a Banach-valued essentially bounded random variable. We obtain strong forms of necessary and sufficient optimality conditions for problems subject to equality and conical constraints. We propose a Moreau--Yosida regularization for the conical constraint and show consistency of the optimality conditions for the regularized problem as the regularization parameter is taken to infinity.

In this note, we prove that the minimal and maximal solution maps associated to elliptic quasi-variational inequalities of obstacle type are directionally differentiable with respect to the forcing term and for directions that are signed. Along the way, we show that the minimal and maximal solutions can be seen as monotone limits of solutions of certain variational inequalities and that the aforementioned directional derivatives can also be characterised as the monotone limits of sequences of directional derivatives associated to variational inequalities. We conclude the paper with some examples and an application to thermoforming., Comment: 13 pages

We focus on elliptic quasi-variational inequalities (QVIs) of obstacle type and prove a number of results on the existence of solutions, directional differentiability and optimal control of such QVIs. We give three existence theorems based on an order approach, an iteration scheme and a sequential regularisation through partial differential equations. We show that the solution map taking the source term into the set of solutions of the QVI is directionally differentiable for general data and locally Hadamard differentiable obstacle mappings, thereby extending in particular the results of our previous work which provided the first differentiability result for QVIs in infinite dimensions. Optimal control problems with QVI constraints are also considered and we derive various forms of stationarity conditions for control problems, thus supplying among the first such results in this area., Comment: 37 pages

Inspired by applications in optimal control of semilinear elliptic partial differential equations and physics-integrated imaging, differential equation constrained optimization problems with constituents that are only accessible through data-driven techniques are studied. A particular focus is on the analysis and on numerical methods for problems with machine-learned components. For a rather general context, an error analysis is provided, and particular properties resulting from artificial neural network based approximations are addressed. Moreover, for each of the two inspiring applications analytical details are presented and numerical results are provided.

Total Generalized Variation (TGV) regularization in image reconstruction relies on an infimal convolution type combination of generalized first- and second-order derivatives. This helps to avoid the staircasing effect of Total Variation (TV) regularization, while still preserving sharp contrasts in images. The associated regularization effect crucially hinges on two parameters whose proper adjustment represents a challenging task. In this work, a bilevel optimization framework with a suitable statistics-based upper level objective is proposed in order to automatically select these parameters. The framework allows for spatially varying parameters, thus enabling better recovery in high-detail image areas. A rigorous dualization framework is established, and for the numerical solution, two Newton type methods for the solution of the lower level problem, i.e. the image reconstruction problem, and two bilevel TGV algorithms are introduced, respectively. Denoising tests confirm that automatically selected distributed regularization parameters lead in general to improved reconstructions when compared to results for scalar parameters.

We consider a mollifying operator with variable step that, in contrast to the standard mollification, is able to preserve the boundary values of functions. We prove boundedness of the operator in all basic Lebesgue, Sobolev and BV spaces as well as corresponding approximation results. The results are then applied to extend recently developed theory concerning the density of convex intersections., Comment: 28 pages

We are concerned with the simulation and control of a two phase flow model governed by a coupled Cahn-Hilliard Navier-Stokes system involving a nonsmooth energy potential. We establish the existence of optimal solutions and present two distinct approaches to derive suitable stationarity conditions for the bilevel problem, namely C- and strong stationarity. Moreover, we demonstrate the numerical realization of these concepts at the hands of two adaptive solution algorithms relying on a specifically developed goal-oriented error estimator. In addition, we present a model order reduction approach using proper orthogonal decomposition (POD-MOR) in order to replace high-fidelity models by low order surrogates. In particular, we combine POD with space-adapted snapshots and address the challenges which are the consideration of snapshots with different spatial resolutions and the conservation of a solenoidal property.

In this paper, we study damped second-order dynamics, which are quasilinear hyperbolic partial differential equations (PDEs). This is inspired by the recent development of second-order damping systems for accelerating energy decay of gradient flows. We concentrate on two equations: one is a damped second-order total variation flow, which is primarily motivated by the application of image denoising; the other is a damped second-order mean curvature flow for level sets of scalar functions, which is related to a non-convex variational model capable of correcting displacement errors in image data (e.g. dejittering). For the former equation, we prove the existence and uniqueness of the solution. For the latter, we draw a connection between the equation and some second-order geometric PDEs evolving the hypersurfaces which are described by level sets of scalar functions, and show the existence and uniqueness of the solution for a regularized version of the equation. The latter is used in our algorithmic development. A general algorithm for numerical discretization of the two nonlinear PDEs is proposed and analyzed. Its efficiency is demonstrated by various numerical examples, where simulations on the behavior of solutions of the new equations and comparisons with first-order flows are also documented.

We study parabolic quasi-variational inequalities (QVIs) of obstacle type. Under appropriate assumptions on the obstacle mapping, we prove the existence of solutions of such QVIs by two methods: one by time discretisation through elliptic QVIs and the second by iteration through parabolic variational inequalities (VIs). Using these results, we show the directional differentiability (in a certain sense) of the solution map which takes the source term of a parabolic QVI into the set of solutions, and we relate this result to the contingent derivative of the aforementioned map. We finish with an example where the obstacle mapping is given by the inverse of a parabolic differential operator., Comment: 41 pages

For a class of quasi-variational inequalities (QVIs) of obstacle-type the stability of its solution set and associated optimal control problems are considered. These optimal control problems are non-standard in the sense that they involve an objective with set-valued arguments. The approach to study the solution stability is based on perturbations of minimal and maximal elements of the solution set of the QVI with respect to {monotone} perturbations of the forcing term. It is shown that different assumptions are required for studying decreasing and increasing perturbations and that the optimization problem of interest is well-posed., Comment: 29 pages

Quantitative magnetic resonance imaging (qMRI) is concerned with estimating (in physical units) values of magnetic and tissue parameters e.g., relaxation times $T_1$, $T_2$, or proton density $\rho$. Recently in [Ma et al., Nature, 2013], Magnetic Resonance Fingerprinting (MRF) was introduced as a technique being capable of simultaneously recovering such quantitative parameters by using a two step procedure: (i) given a probe, a series of magnetization maps are computed and then (ii) matched to (quantitative) parameters with the help of a pre-computed dictionary which is related to the Bloch manifold. In this paper, we first put MRF and its variants into a perspective with optimization and inverse problems to gain mathematical insights concerning identifiability of parameters under noise and interpretation in terms of optimizers. Motivated by the fact that the Bloch manifold is non-convex and that the accuracy of the MRF-type algorithms is limited by the "discretization size" of the dictionary, a novel physics-based method for qMRI is proposed. In contrast to the conventional two step method, our model is dictionary-free and is rather governed by a single non-linear equation, which is studied analytically. This non-linear equation is efficiently solved via robustified Newton-type methods. The effectiveness of the new method for noisy and undersampled data is shown both analytically and via extensive numerical examples for which also improvement over MRF and its variants is documented.

The directional differentiability of the solution map of obstacle type quasi-variational inequalities (QVIs) with respect to perturbations on the forcing term is studied. The classical result of Mignot is then extended to the quasi-variational case under assumptions that allow multiple solutions of the QVI. The proof involves selection procedures for the solution set and represents the directional derivative as the limit of a monotonic sequence of directional derivatives associated to specific variational inequalities. Additionally, estimates on the coincidence set and several simplifications under higher regularity are studied. The theory is illustrated by a detailed study of an application to thermoforming comprising of modelling, analysis and some numerical experiments., Comment: This version has a revised assumption (A5) which is less restrictive than before

In this work, we introduce a function space setting for a wide class of structural/weighted total variation (TV) regularization methods motivated by their applications in inverse problems. In particular, we consider a regularizer that is the appropriate lower semi-continuous envelope (relaxation) of a suitable total variation type functional initially defined for sufficiently smooth functions. We study examples where this relaxation can be expressed explicitly, and we also provide refinements for weighted total variation for a wide range of weights. Since an integral characterization of the relaxation in function space is, in general, not always available, we show that, for a rather general linear inverse problems setting, instead of the classical Tikhonov regularization problem, one can equivalently solve a saddle-point problem where no a priori knowledge of an explicit formulation of the structural TV functional is needed. In particular, motivated by concrete applications, we deduce corresponding results for linear inverse problems with norm and Poisson log-likelihood data discrepancy terms. Finally, we provide proof-of-concept numerical examples where we solve the saddle-point problem for weighted TV denoising as well as for MR guided PET image reconstruction.

In this paper we study the structure of solutions of the one dimensional weighted total variation regularisation problem, motivated by its application in signal recovery tasks. We study in depth the relationship between the weight function and the creation of new discontinuities in the solution. A partial semigroup property relating the weight function and the solution is shown and analytic solutions for simply data functions are computed. We prove that the weighted total variation minimisation problem is well-posed even in the case of vanishing weight function, despite the lack of coercivity. This is based on the fact that the total variation of the solution is bounded by the total variation of the data, a result that it also shown here. Finally the relationship to the corresponding weighted fidelity problem is explored, showing that the two problems can produce completely different solutions even for very simple data functions., Comment: 43 pages

This paper is concerned with the distributed optimal control of a time-discrete Cahn--Hilliard/Navier--Stokes system with variable densities. It focuses on the double-obstacle potential which yields an optimal control problem for a family of coupled systems in each time instance of a variational inequality of fourth order and the Navier--Stokes equation. By proposing a suitable time-discretization, energy estimates are proved and the existence of solutions to the primal system and of optimal controls is established for the original problem as well as for a family of regularized problems. The latter correspond to Moreau--Yosida type approximations of the double-obstacle potential. The consistency of these approximations is shown and first order optimality conditions for the regularized problems are derived. Through a limit process, a stationarity system for the original problem is established which is related to a function space version of C-stationarity.

Recently, non-convex regularisation models have been introduced in order to provide a better prior for gradient distributions in real images. They are based on using concave energies $\phi$ in the total variation type functional ${TV}^\phi(u) := \int \phi(|\nabla u(x)|) d x$. In this paper, it is demonstrated that for typical choices of $\phi$, functionals of this type pose several difficulties when extended to the entire space of functions of bounded variation, ${BV}(\Omega)$. In particular, if $\phi(t)=t^q$ for $q \in (0, 1)$ and ${TV}^\phi$ is defined directly for piecewise constant functions and extended via weak* lower semicontinuous envelopes to ${BV}(\Omega)$, then still ${TV}^\phi(u)=\infty$ for $u$ not piecewise constant. If, on the other hand, ${TV}^\phi$ is defined analogously via continuously differentiable functions, then ${TV}^\phi \equiv 0$, (!). We study a way to remedy the models through additional multiscale regularisation and area strict convergence, provided that the energy $\phi(t)=t^q$ is linearised for high values. The fact, that this kind of energies actually better matches reality and improves reconstructions, is demonstrated by statistics and numerical experiments.

Relying on the co-area formula, an exact relaxation framework for minimizing objectives involving the total variation of a binary valued function (of bounded variation) is presented. The underlying problem class covers many important applications ranging from binary image restoration, segmentation, minimal compliance topology optimization to the optimal design of composite membranes and many more. The relaxation approach turns the binary constraint into a box constraint. It is shown that thresholding a solution of the relaxed problem almost surely yields a solution of the original binary-valued problem. Furthermore, stability of solutions under data perturbations is studied, and, for applications such as structure optimization, the inclusion of volume constraints is considered. For the efficient numerical solution of the relaxed problem, a locally superlinearly convergent algorithm is proposed which is based on an exact penalization technique, Fenchel duality, and a semismooth Newton approach. The paper ends by a report on numerical results for several applications in particular in mathematical image processing.

A mathematical framework for optimal bilinear control of nonlinear Schr\"odinger equations of Gross-Pitaevskii type arising in the description of Bose-Einstein condensates is presented. The obtained results generalize earlier efforts found in the literature in several aspects. In particular, the cost induced by the physical work load over the control process is taken into account rather then often used $L^2$- or $H^1$-norms for the cost of the control action. Well-posedness of the problem and existence of an optimal control is proven. In addition, the first order optimality system is rigorously derived. Also a numerical solution method is proposed, which is based on a Newton type iteration, and used to solve several coherent quantum control problems., Comment: 30 pages, 14 figures