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Dirk A. Lorenz

Publications and source records attributed to Dirk A. Lorenz.

At least 19 recordsLinked to original sources

Computing adjoint mismatch of linear maps

This paper considers the problem of detecting adjoint mismatch for two linear maps. To clarify, this means that we aim to calculate the operator norm for the difference of two linear maps, where for one we only have a black-box implementation for the evaluation of the map, and for the other we only have a black-box for the evaluation of the adjoint map. We give a stochastic algorithm for which we prove the almost sure convergence to the operator norm. The algorithm is a random search method for a generalization of the Rayleigh quotient and uses optimal step sizes. Additionally, a convergence analysis is done for the corresponding singular vector and the respective eigenvalue equation.

math.NA↗

Matrix-free stochastic calculation of operator norms without using adjoints

This paper considers the problem of computing the operator norm of a linear map between finite dimensional Hilbert spaces when only evaluations of the linear map are available and under restrictive storage assumptions. We propose a stochastic method of random search type to maximize the Rayleigh quotient and employ an exact line search in the random search directions. Moreover, we show that the proposed algorithm converges to the global maximum (the operator norm) almost surely and a sublinear convergence behavior for the corresponding eigenvector and eigenvalue equation. Finally, we illustrate the performance of the method with numerical experiments.

math.NA↗

A general framework for inexact splitting algorithms with relative errors and applications to Chambolle-Pock and Davis-Yin methods

In this work we apply the recently introduced framework of degenerate preconditioned proximal point algorithms to the hybrid proximal extragradient (HPE) method for maximal monotone inclusions. The latter is a method that allows inexact proximal (or resolvent) steps where the error is controlled by a relative-error criterion. Recently the HPE framework has been extended to the Douglas-Rachford method by Eckstein and Yao. In this paper we further extend the applicability of the HPE framework to splitting methods. To this end we use the framework of degenerate preconditioners that allows to write a large class of splitting methods as preconditioned proximal point algorithms. In this way, we modify many splitting methods such that one or more of the resolvents can be computed inexactly with an error that is controlled by an adaptive criterion. Further, we illustrate the algorithmic framework in the case of Chambolle-Pock's primal dual hybrid gradient method and the Davis-Yin's forward Douglas-Rachford method. In both cases, the inexact computation of the resolvent shows clear advantages in computing time and accuracy.

math.OC↗

An accelerated randomized Bregman-Kaczmarz method for strongly convex linearly constraint optimization

In this paper, we propose a randomized accelerated method for the minimization of a strongly convex function under linear constraints. The method is of Kaczmarz-type, i.e. it only uses a single linear equation in each iteration. To obtain acceleration we build on the fact that the Kaczmarz method is dual to a coordinate descent method. We use a recently proposed acceleration method for the randomized coordinate descent and transfer it to the primal space. This method inherits many of the attractive features of the accelerated coordinate descent method, including its worst-case convergence rates. A theoretical analysis of the convergence of the proposed method is given. Numerical experiments show that the proposed method is more efficient and faster than the existing methods for solving the same problem.

math.OC↗

On inertial Levenberg-Marquardt type methods for solving nonlinear ill-posed operator equations

In these notes we propose and analyze an inertial type method for obtaining stable approximate solutions to nonlinear ill-posed operator equations. The method is based on the Levenberg-Marquardt (LM) iteration. The main obtained results are: monotonicity and convergence for exact data, stability and semi-convergence for noisy data. Regarding numerical experiments we consider: i) a parameter identification problem in elliptic PDEs, ii) a parameter identification problem in machine learning; the computational efficiency of the proposed method is compared with canonical implementations of the LM method.

math.NA↗

Adaptive Bregman-Kaczmarz: An Approach to Solve Linear Inverse Problems with Independent Noise Exactly

We consider the block Bregman-Kaczmarz method for finite dimensional linear inverse problems. The block Bregman-Kaczmarz method uses blocks of the linear system and performs iterative steps with these blocks only. We assume a noise model that we call independent noise, i.e. each time the method performs a step for some block, one obtains a noisy sample of the respective part of the right-hand side which is contaminated with new noise that is independent of all previous steps of the method. One can view these noise models as making a fresh noisy measurement of the respective block each time it is used. In this framework, we are able to show that a well-chosen adaptive stepsize of the block Bergman-Kaczmarz method is able to converge to the exact solution of the linear inverse problem. The plain form of this adaptive stepsize relies on unknown quantities (like the Bregman distance to the solution), but we show a way how these quantities can be estimated purely from given data. We illustrate the finding in numerical experiments and confirm that these heuristic estimates lead to effective stepsizes.

math.NA↗

Acceleration and restart for the randomized Bregman-Kaczmarz method

Optimizing strongly convex functions subject to linear constraints is a fundamental problem with numerous applications. In this work, we propose a block (accelerated) randomized Bregman-Kaczmarz method that only uses a block of constraints in each iteration to tackle this problem. We consider a dual formulation of this problem in order to deal in an efficient way with the linear constraints. Using convex tools, we show that the corresponding dual function satisfies the Polyak-Lojasiewicz (PL) property, provided that the primal objective function is strongly convex and verifies additionally some other mild assumptions. However, adapting the existing theory on coordinate descent methods to our dual formulation can only give us sublinear convergence results in the dual space. In order to obtain convergence results in some criterion corresponding to the primal (original) problem, we transfer our algorithm to the primal space, which combined with the PL property allows us to get linear convergence rates. More specifically, we provide a theoretical analysis of the convergence of our proposed method under different assumptions on the objective and demonstrate in the numerical experiments its superior efficiency and speed up compared to existing methods for the same problem.

math.NA↗

A Bregman-Kaczmarz method for nonlinear systems of equations

We propose a new randomized method for solving systems of nonlinear equations, which can find sparse solutions or solutions under certain simple constraints. The scheme only takes gradients of component functions and uses Bregman projections onto the solution space of a Newton equation. In the special case of euclidean projections, the method is known as nonlinear Kaczmarz method. Furthermore, if the component functions are nonnegative, we are in the setting of optimization under the interpolation assumption and the method reduces to SGD with the recently proposed stochastic Polyak step size. For general Bregman projections, our method is a stochastic mirror descent with a novel adaptive step size. We prove that in the convex setting each iteration of our method results in a smaller Bregman distance to exact solutions as compared to the standard Polyak step. Our generalization to Bregman projections comes with the price that a convex one-dimensional optimization problem needs to be solved in each iteration. This can typically be done with globalized Newton iterations. Convergence is proved in two classical settings of nonlinearity: for convex nonnegative functions and locally for functions which fulfill the tangential cone condition. Finally, we show examples in which the proposed method outperforms similar methods with the same memory requirements.

math.OC↗

Linearly convergent adjoint free solution of least squares problems by random descent

We consider the problem of solving linear least squares problems in a framework where only evaluations of the linear map are possible. We derive randomized methods that do not need any other matrix operations than forward evaluations, especially no evaluation of the adjoint map is needed. Our method is motivated by the simple observation that one can get an unbiased estimate of the application of the adjoint. We show convergence of the method and then derive a more efficient method that uses an exact linesearch. This method, called random descent, resembles known methods in other context and has the randomized coordinate descent method as special case. We provide convergence analysis of the random descent method emphasizing the dependence on the underlying distribution of the random vectors. Furthermore we investigate the applicability of the method in the context of ill-posed inverse problems and show that the method can have beneficial properties when the unknown solution is rough. We illustrate the theoretical findings in numerical examples. One particular result is that the random descent method actually outperforms established transposed-free methods (TFQMR and CGS) in examples.

math.NA↗

Learning Variational Models with Unrolling and Bilevel Optimization

In this paper we consider the problem of learning variational models in the context of supervised learning via risk minimization. Our goal is to provide a deeper understanding of the two approaches of learning of variational models via bilevel optimization and via algorithm unrolling. The former considers the variational model as a lower level optimization problem below the risk minimization problem, while the latter replaces the lower level optimization problem by an algorithm that solves said problem approximately. Both approaches are used in practice, but unrolling is much simpler from a computational point of view. To analyze and compare the two approaches, we consider a simple toy model, and compute all risks and the respective estimators explicitly. We show that unrolling can be better than the bilevel optimization approach, but also that the performance of unrolling can depend significantly on further parameters, sometimes in unexpected ways: While the stepsize of the unrolled algorithm matters a lot (and learning the stepsize gives a significant improvement), the number of unrolled iterations plays a minor role.

stat.ML↗

Minimal error momentum Bregman-Kaczmarz

The Bregman-Kaczmarz method is an iterative method which can solve strongly convex problems with linear constraints and uses only one or a selected number of rows of the system matrix in each iteration, thereby making it amenable for large-scale systems. To speed up convergence, we investigate acceleration by heavy ball momentum in the so-called dual update. Heavy ball acceleration of the Kaczmarz method with constant parameters has turned out to be difficult to analyze, in particular no accelerated convergence for the L2-error of the iterates has been proven to the best of our knowledge. Here we propose a way to adaptively choose the momentum parameter by a minimal-error principle similar to a recently proposed method for the standard randomized Kaczmarz method. The momentum parameter can be chosen to exactly minimize the error in the next iterate or to minimize a relaxed version of the minimal error principle. The former choice leads to a theoretically optimal step while the latter is cheaper to compute. We prove improved convergence results compared to the non-accelerated method. Numerical experiments show that the proposed methods can accelerate convergence in practice, also for matrices which arise from applications such as computational tomography.

math.OC↗

On the Interplay of Subset Selection and Informed Graph Neural Networks

Machine learning techniques paired with the availability of massive datasets dramatically enhance our ability to explore the chemical compound space by providing fast and accurate predictions of molecular properties. However, learning on large datasets is strongly limited by the availability of computational resources and can be infeasible in some scenarios. Moreover, the instances in the datasets may not yet be labelled and generating the labels can be costly, as in the case of quantum chemistry computations. Thus, there is a need to select small training subsets from large pools of unlabelled data points and to develop reliable ML methods that can effectively learn from small training sets. This work focuses on predicting the molecules atomization energy in the QM9 dataset. We investigate the advantages of employing domain knowledge-based data sampling methods for an efficient training set selection combined with informed ML techniques. In particular, we show how maximizing molecular diversity in the training set selection process increases the robustness of linear and nonlinear regression techniques such as kernel methods and graph neural networks. We also check the reliability of the predictions made by the graph neural network with a model-agnostic explainer based on the rate distortion explanation framework.

physics.chem-ph↗

Damage Identification in Fiber Metal Laminates using Bayesian Analysis with Model Order Reduction

Fiber metal laminates (FML) are composite structures consisting of metals and fiber reinforced plastics (FRP) which have experienced an increasing interest as the choice of materials in aerospace and automobile industries. Due to a sophisticated built up of the material, not only the design and production of such structures is challenging but also its damage detection. This research work focuses on damage identification in FML with guided ultrasonic waves (GUW) through an inverse approach based on the Bayesian paradigm. As the Bayesian inference approach involves multiple queries of the underlying system, a parameterized reduced-order model (ROM) is used to closely approximate the solution with considerably less computational cost. The signals measured by the embedded sensors and the ROM forecasts are employed for the localization and characterization of damage in FML. In this paper, a Markov Chain Monte-Carlo (MCMC) based Metropolis-Hastings (MH) algorithm and an Ensemble Kalman filtering (EnKF) technique are deployed to identify the damage. Numerical tests illustrate the approaches and the results are compared in regard to accuracy and efficiency. It is found that both methods are successful in multivariate characterization of the damage with a high accuracy and were also able to quantify their associated uncertainties. The EnKF distinguishes itself with the MCMC-MH algorithm in the matter of computational efficiency. In this application of identifying the damage, the EnKF is approximately thrice faster than the MCMC-MH.

stat.AP↗

The Degenerate Variable Metric Proximal Point Algorithm and Adaptive Stepsizes for Primal-Dual Douglas-Rachford

In this paper the degenerate preconditioned proximal point algorithm will be combined with the idea of varying preconditioners leading to the degenerate variable metric proximal point algorithm. The weak convergence of the resulting iteration will be proven. From the perspective of the degenerate variable metric proximal point algorithm, a version of the primal-dual Douglas-Rachford method with varying preconditioners will be derived and a proof of its weak convergence which is based on the previous results for the proximal point algorithm, is provided, too. After that, we derive a heuristic on how to choose those varying preconditioners in order to increase the convergence speed of the method.

math.OC↗

Chambolle-Pock's Primal-Dual Method with Mismatched Adjoint

The primal-dual method of Chambolle and Pock is a widely used algorithm to solve various optimization problems written as convex-concave saddle point problems. Each update step involves the application of both the forward linear operator and its adjoint. However, in practical applications like computerized tomography, it is often computationally favourable to replace the adjoint operator by a computationally more efficient approximation. This leads to an adjoint mismatch in the algorithm. In this paper, we analyze the convergence of Chambolle-Pock's primal-dual method under the presence of a mismatched adjoint in the strongly convex setting. We present an upper bound on the error of the primal solution and derive stepsizes and mild conditions under which convergence to a fixed point is still guaranteed. Furthermore we show linear convergence similar to the result of Chambolle-Pock's primal-dual method without the adjoint mismatch. Moreover, we illustrate our results both for an academic and a real-world inspired application.

math.OC↗

Nonconvex flexible sparsity regularization: theory and monotone numerical schemes

Flexible sparsity regularization means stably approximating sparse solutions of operator equations by using coefficient-dependent penalizations. We propose and analyse a general nonconvex approach in this respect, from both theoretical and numerical perspectives. Namely, we show convergence of the regularization method and establish convergence properties of a couple of majorization approaches for the associated nonconvex problems. We also test a monotone algorithm for an academic example where the operator is an $M$ matrix, and on a time-dependent optimal control problem, pointing out the advantages of employing variable penalties over a fixed penalty.

math.OC↗

Degenerate Preconditioned Proximal Point algorithms

In this paper we describe a systematic procedure to analyze the convergence of degenerate preconditioned proximal point algorithms. We establish weak convergence results under mild assumptions that can be easily employed in the context of splitting methods for monotone inclusion and convex minimization problems. Moreover, we show that the degeneracy of the preconditioner allows for a reduction of the variables involved in the iteration updates. We show the strength of the proposed framework in the context of splitting algorithms, providing new simplified proofs of convergence and highlighting the link between existing schemes, such as Chambolle-Pock, Forward Douglas-Rachford and Peaceman-Rachford, that we study from a preconditioned proximal point perspective. The proposed framework allows to devise new flexible schemes and provides new ways to generalize existing splitting schemes to the case of the sum of many terms. As an example, we present a new sequential generalization of Forward Douglas-Rachford along with numerical experiments that demonstrate its interest in the context of nonsmooth convex optimization.

math.OC↗

Entropic regularization of continuous optimal transport problems

We analyze continuous optimal transport problems in the so-called Kantorovich form, where we seek a transport plan between two marginals that are probability measures on compact subsets of Euclidean space. We consider the case of regularization with the negative entropy with respect to the Lebesgue measure, which has attracted attention because it can be solved by the very simple Sinkhorn algorithm. We first analyze the regularized problem in the context of classical Fenchel duality and derive a strong duality result for a predual problem in the space of continuous functions. However, this problem may not admit a minimizer, which prevents obtaining primal-dual optimality conditions. We then show that the primal problem is naturally analyzed in the Orlicz space of functions with finite entropy in the sense that the entropically regularized problem admits a minimizer if and only if the marginals have finite entropy. We then derive a dual problem in the corresponding dual space, for which existence can be shown by purely variational arguments and primal-dual optimality conditions can be derived. For marginals that do not have finite entropy, we finally show Gamma-convergence of the regularized problem with smoothed marginals to the original Kantorovich problem.

math.OC↗