Non-negatively constrained least squares and parameter choice by the residual periodogram for the inversion of electrochemical impedance spectroscopy data

DOI10.1016/J.CAM.2014.09.017zbMATH Open1304.65268arXiv1309.4498OpenAlexW2051110944MaRDI QIDQ475643FDOQ475643

Jarom D. Hogue, Jakob K. Hansen, Grant K. Sander, Sudeep C. Popat, R. A. Renaut

Publication date: 27 November 2014

Published in: Journal of Computational and Applied Mathematics (Search for Journal in Brave)

Abstract: The inverse problem associated with electrochemical impedance spectroscopy requiring the solution of a Fredholm integral equation of the first kind is considered. If the underlying physical model is not clearly determined, the inverse problem needs to be solved using a regularized linear least squares problem that is obtained from the discretization of the integral equation. For this system, it is shown that the model error can be made negligible by a change of variables and by extending the effective range of quadrature. This change of variables serves as a right preconditioner that significantly improves the condition of the system. Still, to obtain feasible solutions the additional constraint of non-negativity is required. Simulations with artificial, but realistic, data demonstrate that the use of non-negatively constrained least squares with a smoothing norm provides higher quality solutions than those obtained without the non-negative constraint. Using higher-order smoothing norms also reduces the error in the solutions. The L-curve and residual periodogram parameter choice criteria, which are used for parameter choice with regularized linear least squares, are successfully adapted to be used for the non-negatively constrained Tikhonov least squares problem. Although these results have been verified within the context of the analysis of electrochemical impedance spectroscopy, there is no reason to suppose that they would not be relevant within the broader framework of solving Fredholm integral equations for other applications.

Full work available at URL: https://arxiv.org/abs/1309.4498

zbMATH Keywords

regularizationinverse problempreconditionerill-posedFredholm integral equation of the first kindparameter choiceL-curvenonnegative least squareselectrochemical impedance spectroscopyresidual periodogram

Mathematics Subject Classification ID

Preconditioners for iterative methods (65F08) Numerical methods for integral equations (65R20) Linear integral equations (45A05) Numerical methods for inverse problems for integral equations (65R32) Fredholm integral equations (45B05) Electrochemistry (78A57)

Cites Work

• Title not available (Why is that?)
• Title not available (Why is that?)
• Title not available (Why is that?)
• Title not available (Why is that?)
• Regularization tools version \(4.0\) for matlab \(7.3\)
• Rank-Deficient and Discrete Ill-Posed Problems
• Graph Implementations for Nonsmooth Convex Programs
• Computational Methods for Inverse Problems
• Non-negative least squares for high-dimensional linear models: consistency and sparse recovery without regularization
• Exploiting residual information in the parameter choice for discrete ill-posed problems
• Residual periodograms for choosing regularization parameters for ill-posed problems
• Discrete Inverse Problems
• An interior point Newton-like method for non-negative least-squares problems with degenerate solution
• A Newton root-finding algorithm for estimating the regularization parameter for solving ill-conditioned least squares problems
• Stability and error analysis of the polarization estimation inverse problem for microbial fuel cells
• A non-monotonic method for large-scale non-negative least squares
• Non-negatively constrained least squares and parameter choice by the residual periodogram for the inversion of electrochemical impedance spectroscopy data

Cited In (3)

• Regularized collocation in distribution of diffusion times applied to electrochemical impedance spectroscopy
• Unbiased predictive risk estimation of the Tikhonov regularization parameter: convergence with increasing rank approximations of the singular value decomposition
• Non-negatively constrained least squares and parameter choice by the residual periodogram for the inversion of electrochemical impedance spectroscopy data

Uses Software

• Regularization tools
• CVX
• UTV

This page was built for publication: Non-negatively constrained least squares and parameter choice by the residual periodogram for the inversion of electrochemical impedance spectroscopy data

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q475643)