A Fast Self-Learning Subspace Reconstruction Method for Non-Uniformly Sampled Nuclear Magnetic Resonance Spectroscopy

Multidimensional nuclear magnetic resonance (NMR) spectroscopy is one of the most crucial detection tools for molecular structure analysis and has been widely used in biomedicine and chemistry. However, the development of NMR spectroscopy is hampered by long data collection time. Non-uniform samplin...

Full description

Bibliographic Details
Main Authors: Zhangren Tu, Huiting Liu, Jiaying Zhan, Di Guo
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Applied Sciences
Subjects:
Online Access:https://www.mdpi.com/2076-3417/10/11/3939
id doaj-6ecf16e0d818412ba186a9b2f3834572
record_format Article
spelling doaj-6ecf16e0d818412ba186a9b2f38345722020-11-25T03:53:59ZengMDPI AGApplied Sciences2076-34172020-06-01103939393910.3390/app10113939A Fast Self-Learning Subspace Reconstruction Method for Non-Uniformly Sampled Nuclear Magnetic Resonance SpectroscopyZhangren Tu0Huiting Liu1Jiaying Zhan2Di Guo3School of Computer and Information Engineering, Xiamen University of Technology, Xiamen 361024, ChinaDepartment of Electronic Science, Xiamen University, Xiamen 361005, ChinaSchool of Computer and Information Engineering, Xiamen University of Technology, Xiamen 361024, ChinaSchool of Computer and Information Engineering, Xiamen University of Technology, Xiamen 361024, ChinaMultidimensional nuclear magnetic resonance (NMR) spectroscopy is one of the most crucial detection tools for molecular structure analysis and has been widely used in biomedicine and chemistry. However, the development of NMR spectroscopy is hampered by long data collection time. Non-uniform sampling empowers rapid signal acquisition by collecting a small subset of data. Since the sampling rate is lower than that of the Nyquist sampling ratio, undersampling artifacts arise in reconstructed spectra. To obtain a high-quality spectrum, it is necessary to apply reasonable prior constraints in spectrum reconstruction models. The self-learning subspace method has been shown to possess superior advantages than that of the state-of-the-art low-rank Hankel matrix method when adopting high acceleration in data sampling. However, the self-learning subspace method is time-consuming due to the singular value decomposition in iterations. In this paper, we propose a fast self-learning subspace method to enable fast and high-quality reconstructions. Aided by parallel computing, the experiment results show that the proposed method can reconstruct high-fidelity spectra but spend less than 10% of the time required by the non-parallel self-learning subspace method.https://www.mdpi.com/2076-3417/10/11/3939nuclear magnetic resonance spectroscopynon-uniform samplingself-learning subspacematrix factorizationacceleration
collection DOAJ
language English
format Article
sources DOAJ
author Zhangren Tu
Huiting Liu
Jiaying Zhan
Di Guo
spellingShingle Zhangren Tu
Huiting Liu
Jiaying Zhan
Di Guo
A Fast Self-Learning Subspace Reconstruction Method for Non-Uniformly Sampled Nuclear Magnetic Resonance Spectroscopy
Applied Sciences
nuclear magnetic resonance spectroscopy
non-uniform sampling
self-learning subspace
matrix factorization
acceleration
author_facet Zhangren Tu
Huiting Liu
Jiaying Zhan
Di Guo
author_sort Zhangren Tu
title A Fast Self-Learning Subspace Reconstruction Method for Non-Uniformly Sampled Nuclear Magnetic Resonance Spectroscopy
title_short A Fast Self-Learning Subspace Reconstruction Method for Non-Uniformly Sampled Nuclear Magnetic Resonance Spectroscopy
title_full A Fast Self-Learning Subspace Reconstruction Method for Non-Uniformly Sampled Nuclear Magnetic Resonance Spectroscopy
title_fullStr A Fast Self-Learning Subspace Reconstruction Method for Non-Uniformly Sampled Nuclear Magnetic Resonance Spectroscopy
title_full_unstemmed A Fast Self-Learning Subspace Reconstruction Method for Non-Uniformly Sampled Nuclear Magnetic Resonance Spectroscopy
title_sort fast self-learning subspace reconstruction method for non-uniformly sampled nuclear magnetic resonance spectroscopy
publisher MDPI AG
series Applied Sciences
issn 2076-3417
publishDate 2020-06-01
description Multidimensional nuclear magnetic resonance (NMR) spectroscopy is one of the most crucial detection tools for molecular structure analysis and has been widely used in biomedicine and chemistry. However, the development of NMR spectroscopy is hampered by long data collection time. Non-uniform sampling empowers rapid signal acquisition by collecting a small subset of data. Since the sampling rate is lower than that of the Nyquist sampling ratio, undersampling artifacts arise in reconstructed spectra. To obtain a high-quality spectrum, it is necessary to apply reasonable prior constraints in spectrum reconstruction models. The self-learning subspace method has been shown to possess superior advantages than that of the state-of-the-art low-rank Hankel matrix method when adopting high acceleration in data sampling. However, the self-learning subspace method is time-consuming due to the singular value decomposition in iterations. In this paper, we propose a fast self-learning subspace method to enable fast and high-quality reconstructions. Aided by parallel computing, the experiment results show that the proposed method can reconstruct high-fidelity spectra but spend less than 10% of the time required by the non-parallel self-learning subspace method.
topic nuclear magnetic resonance spectroscopy
non-uniform sampling
self-learning subspace
matrix factorization
acceleration
url https://www.mdpi.com/2076-3417/10/11/3939
work_keys_str_mv AT zhangrentu afastselflearningsubspacereconstructionmethodfornonuniformlysamplednuclearmagneticresonancespectroscopy
AT huitingliu afastselflearningsubspacereconstructionmethodfornonuniformlysamplednuclearmagneticresonancespectroscopy
AT jiayingzhan afastselflearningsubspacereconstructionmethodfornonuniformlysamplednuclearmagneticresonancespectroscopy
AT diguo afastselflearningsubspacereconstructionmethodfornonuniformlysamplednuclearmagneticresonancespectroscopy
AT zhangrentu fastselflearningsubspacereconstructionmethodfornonuniformlysamplednuclearmagneticresonancespectroscopy
AT huitingliu fastselflearningsubspacereconstructionmethodfornonuniformlysamplednuclearmagneticresonancespectroscopy
AT jiayingzhan fastselflearningsubspacereconstructionmethodfornonuniformlysamplednuclearmagneticresonancespectroscopy
AT diguo fastselflearningsubspacereconstructionmethodfornonuniformlysamplednuclearmagneticresonancespectroscopy
_version_ 1724475472524345344