To Örebro University

In this paper, we establish an initial theory regarding the second-order asymptotical regularization (SOAR) method for the stable approximate solution of ill-posed linear operator equations in Hilbert spaces, which are models for linear inverse problems with applications in the natural sciences, imaging and engineering. We show the regularizing properties of the new method, as well as the corresponding convergence rates. We prove that, under the appropriate source conditions and by using Morozov's conventional discrepancy principle, SOAR exhibits the same power-type convergence rate as the classical version of asymptotical regularization (Showalter's method). Moreover, we propose a new total energy discrepancy principle for choosing the terminating time of the dynamical solution from SOAR, which corresponds to the unique root of a monotonically non-increasing function and allows us to also show an order optimal convergence rate for SOAR. A damped symplectic iterative regularizing algorithm is developed for the realization of SOAR. Several numerical examples are given to show the accuracy and the acceleration effect of the proposed method. A comparison with other state-of-the-art methods are provided as well.

In this paper, we consider an inverse source problem for elliptic partial differential equations with both Dirichlet and Neumann boundary conditions. The unknown source term is to be determined by additional boundary data. This problem is ill-posed since the dimensionality of the boundary is lower than the dimensionality of the inner domain. To overcome the ill-posed nature, using the a priori information (sourcewise representation), and based on the coupled complex boundary method, we propose a coupled complex boundary expanding compacts method (CCBECM). A finite element method is used for the discretization of CCBECM. The regularization properties of CCBECM for both the continuous and discrete versions are proved. Moreover, an a posteriori error estimate of the obtained finite element approximate solution is given and calculated by a projected gradient algorithm. Finally, numerical results show that the proposed method is stable and effective.

We present an approach for solving optimization problems with or without constrains which we call Dynamical Functional Particle Method (DFMP). The method consists of formulating the optimization problem as a second order damped dynamical system and then applying symplectic method to solve it numerically. In the first part of the chapter, we give an overview of the method and provide necessary mathematical background. We show that DFPM is a stable, efficient, and given the optimal choice of parameters, competitive method. Optimal parameters are derived for linear systems of equations, linear least squares, and linear eigenvalue problems. A framework for solving nonlinear problems is developed and numerically tested. In the second part, we adopt the method to several important applications such as image analysis, inverse problems for partial differential equations, and quantum physics.  At the end, we present open problems and share some ideas of future work on generalized (nonlinear) eigenvalue problems, handling constraints with reflection, global optimization, and nonlinear ill-posed problems.

In this paper, we introduce a new image denoising model: the damped flow (DF), which is a second order nonlinear evolution equation associated with a class of energy functionals of an image. The existence, uniqueness and regularization property of DF are proven. For the numerical implementation, based on the Störmer–Verlet method, a discrete DF, SV-DDF, is developed. The convergence of SV-DDF is studied as well. Several numerical experiments, as well as a comparison with other methods, are provided to demonstrate the efficiency of SV-DDF.

The means to obtain the rate constants of a chemical reaction is a fundamental open problem in both science and the industry. Traditional techniques for finding rate constants require either chemical modifications of the reac-tants or indirect measurements. The rate constant map method is a modern technique to study binding equilibrium and kinetics in chemical reactions. Finding a rate constant map from biosensor data is an ill-posed inverse problem that is usually solved by regularization. In this work, rather than finding a deterministic regularized rate constant map that does not provide uncertainty quantification of the solution, we develop an adaptive variational Bayesian approach to estimate the distribution of the rate constant map, from which some intrinsic properties of a chemical reaction can be explored, including information about rate constants. Our new approach is more realistic than the existing approaches used for biosensors and allows us to estimate the dynamics of the interactions, which are usually hidden in a deterministic approximate solution. We verify the performance of the new proposed method by numerical simulations, and compare it with the Markov chain Monte Carlo algorithm. The results illustrate that the variational method can reliably capture the posterior distribution in a computationally efficient way. Finally, the developed method is also tested on the real biosensor data (parathyroid hor-mone), where we provide two novel analysis tools—the thresholding contour map and the high order moment map—to estimate the number of interactions as well as their rate constants.

In this paper, we study a fractional-order variant of the asymptotical regularization method, called Fractional Asymptotical Regularization (FAR), for solving linear ill-posed operator equations in a Hilbert space setting. We assign the method to the general linear regularization schema and prove that under certain smoothness assumptions, FAR with fractional order in the range (1, 2) yields an acceleration with respect to comparable order optimal regularization methods. Based on the one-step Adams-Moulton method, a novel iterative regularization scheme is developed for the numerical realization of FAR. Two numerical examples are given to show the accuracy and the acceleration effect of FAR.

This study considers the inverse source problem for elliptic partial differential equations with both Dirichlet and Neumann boundary data. The unknown source term is to be determined by additional boundary conditions. Unlike the existing methods found in the literature, which usually employ the first-order in time gradient-like system (such as the steepest descent methods) for numerically solving the regularized optimization problem with a fixed regularization parameter, we propose a novel method with a second-order in time dissipative gradient-like system and a dynamical selected regularization parameter. A damped symplectic scheme is proposed for the numerical solution. Theoretical analysis is given for both the continuous model and the numerical algorithm. Several numerical examples are provided to show the robustness of the proposed algorithm.

Adsorption isotherms are the most important parameters in rigorous models of chromatographic processes. In this paper, in order to recover adsorption isotherms, we consider a coupled complex boundary method (CCBM), which was previously proposed for solving an inverse source problem [2]. With CCBM, the original boundary fitting problem is transferred to a domain fitting problem. Thus, this method has advantages regarding robustness and computation in reconstruction. In contrast to the traditional CCBM, for the sake of the reduction of computational complexity and computational cost, the recovered adsorption isotherm only corresponds to the real part of the solution of a forward complex initial boundary value problem. Furthermore, we take into account the position of the profiles and apply the momentum criterion to improve the optimization progress. Using Tikhonov regularization, the well-posedness, convergence properties and regularization parameter selection methods are studied. Based on an adjoint technique, we derive the exact Jacobian of the objective function and give an algorithm to reconstruct the adsorption isotherm. Finally, numerical simulations are given to show the feasibility and efficiency of the proposed regularization method.

In this work, based on the collage theorem, we develop a new numerical approach to reconstruct the locations of discontinuity of the conduction coefficient in elliptic partial differential equations (PDEs) with inaccurate measurement data and coefficient value. For a given conductivity coefficient, one can construct a contraction mapping such that its fixed point is just the gradient of a solution to the elliptic system. Therefore, the problem of reconstructing a conductivity coefficient in PDEs can be considered as an approximation of the observation data by the fixed point of a contraction mapping. By collage theorem, we translate it to seek a contraction mapping that keeps the observation data as close as possible to itself, which avoids solving adjoint problems when applying the gradient descent method to the corresponding optimization problem. Moreover, the total variation regularizing strategy is applied to tackle the ill-posedness and the parametric level set technique is adopted to represent the discontinuity of the conductivity coefficient. Various numerical simulations are given to show the efficiency of the proposed method.

Competitive adsorption isotherms must be estimated in order to simulate and optimize modern continuous modes of chromatography in situations where experimental trial-and-error approaches are too complex and expensive. The inverse method is a numeric approach for the fast estimation of adsorption isotherms directly from overloaded elution profiles. However, this identification process is usually ill-posed. Moreover, traditional model-based inverse methods are restricted by the need to choose an appropriate adsorption isotherm model prior to estimate, which might be very hard for complicated adsorption behavior. In this study, we develop a Kohn–Vogelius formulation for the model-free adsorption isotherm estimation problem. The solvability and convergence for the proposed inverse method are studied. In particular, using a problem-adapted adjoint, we obtain a convergence rate under substantially weaker and more realistic conditions than are required by the general theory. Based on the adjoint technique, a numerical algorithm for solving the proposed optimization problem is developed. Numerical tests for both synthetic and real-world problems are given to show the efficiency of the proposed regularization method.