Cargando…
A Critical Evaluation and Modification of the Padé–Laplace Method for Deconvolution of Viscoelastic Spectra
This paper shows that using the Padé–Laplace (PL) method for deconvolution of multi-exponential functions (stress relaxation of polymers) can produce ill-conditioned systems of equations. Analysis of different sets of generated data points from known multi-exponential functions indicates that by inc...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8399929/ https://www.ncbi.nlm.nih.gov/pubmed/34443425 http://dx.doi.org/10.3390/molecules26164838 |
_version_ | 1783745192946302976 |
---|---|
author | Shams Es-haghi, Siamak Gardner, Douglas J. |
author_facet | Shams Es-haghi, Siamak Gardner, Douglas J. |
author_sort | Shams Es-haghi, Siamak |
collection | PubMed |
description | This paper shows that using the Padé–Laplace (PL) method for deconvolution of multi-exponential functions (stress relaxation of polymers) can produce ill-conditioned systems of equations. Analysis of different sets of generated data points from known multi-exponential functions indicates that by increasing the level of Padé approximants, the condition number of a matrix whose entries are coefficients of a Taylor series in the Laplace space grows rapidly. When higher levels of Padé approximants need to be computed to achieve stable modes for separation of exponentials, the problem of generating matrices with large condition numbers becomes more pronounced. The analysis in this paper discusses the origin of ill-posedness of the PL method and it was shown that ill-posedness may be regularized by reconstructing the system of equations and using singular value decomposition (SVD) for computation of the Padé table. Moreover, it is shown that after regularization, the PL method can deconvolute the exponential decays even when the input parameter of the method is out of its optimal range. |
format | Online Article Text |
id | pubmed-8399929 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-83999292021-08-29 A Critical Evaluation and Modification of the Padé–Laplace Method for Deconvolution of Viscoelastic Spectra Shams Es-haghi, Siamak Gardner, Douglas J. Molecules Article This paper shows that using the Padé–Laplace (PL) method for deconvolution of multi-exponential functions (stress relaxation of polymers) can produce ill-conditioned systems of equations. Analysis of different sets of generated data points from known multi-exponential functions indicates that by increasing the level of Padé approximants, the condition number of a matrix whose entries are coefficients of a Taylor series in the Laplace space grows rapidly. When higher levels of Padé approximants need to be computed to achieve stable modes for separation of exponentials, the problem of generating matrices with large condition numbers becomes more pronounced. The analysis in this paper discusses the origin of ill-posedness of the PL method and it was shown that ill-posedness may be regularized by reconstructing the system of equations and using singular value decomposition (SVD) for computation of the Padé table. Moreover, it is shown that after regularization, the PL method can deconvolute the exponential decays even when the input parameter of the method is out of its optimal range. MDPI 2021-08-10 /pmc/articles/PMC8399929/ /pubmed/34443425 http://dx.doi.org/10.3390/molecules26164838 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Shams Es-haghi, Siamak Gardner, Douglas J. A Critical Evaluation and Modification of the Padé–Laplace Method for Deconvolution of Viscoelastic Spectra |
title | A Critical Evaluation and Modification of the Padé–Laplace Method for Deconvolution of Viscoelastic Spectra |
title_full | A Critical Evaluation and Modification of the Padé–Laplace Method for Deconvolution of Viscoelastic Spectra |
title_fullStr | A Critical Evaluation and Modification of the Padé–Laplace Method for Deconvolution of Viscoelastic Spectra |
title_full_unstemmed | A Critical Evaluation and Modification of the Padé–Laplace Method for Deconvolution of Viscoelastic Spectra |
title_short | A Critical Evaluation and Modification of the Padé–Laplace Method for Deconvolution of Viscoelastic Spectra |
title_sort | critical evaluation and modification of the padé–laplace method for deconvolution of viscoelastic spectra |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8399929/ https://www.ncbi.nlm.nih.gov/pubmed/34443425 http://dx.doi.org/10.3390/molecules26164838 |
work_keys_str_mv | AT shamseshaghisiamak acriticalevaluationandmodificationofthepadelaplacemethodfordeconvolutionofviscoelasticspectra AT gardnerdouglasj acriticalevaluationandmodificationofthepadelaplacemethodfordeconvolutionofviscoelasticspectra AT shamseshaghisiamak criticalevaluationandmodificationofthepadelaplacemethodfordeconvolutionofviscoelasticspectra AT gardnerdouglasj criticalevaluationandmodificationofthepadelaplacemethodfordeconvolutionofviscoelasticspectra |