The inversion of 2D NMR relaxometry data using L1 regularization.

NMR relaxometry has been used as a powerful tool to study molecular dynamics. Many algorithms have been developed for the inversion of 2D NMR relaxometry data. Unlike traditional algorithms implementing L2 regularization, high order Tikhonov regularization or iterative regularization, L1 penalty term is involved to constrain the sparsity of resultant spectra in this paper. Then fast iterative shrinkage-thresholding algorithm (FISTA) is proposed to solve the L1 regularization problem. The effectiveness, noise vulnerability and practical utility of the proposed algorithm are analyzed by simulations and experiments. The results demonstrate that the proposed algorithm has a more excellent capability to reveal narrow peaks than traditional inversion algorithms. The L1 regularization implemented by our algorithm can be a useful complementary to the existing algorithms.

[1]  Robert D. Nowak,et al.  An EM algorithm for wavelet-based image restoration , 2003, IEEE Trans. Image Process..

[2]  Per Christian Hansen,et al.  Solution of Ill-Posed Problems by Means of Truncated SVD , 1988 .

[3]  Maojin Tan,et al.  A new inversion method for (T2, D) 2D NMR logging and fluid typing , 2013, Comput. Geosci..

[4]  Kaipin Xu,et al.  Trust-region algorithm for the inversion of molecular diffusion NMR data. , 2014, Analytical chemistry.

[5]  L Venkataramanan,et al.  T(1)--T(2) correlation spectra obtained using a fast two-dimensional Laplace inversion. , 2002, Journal of magnetic resonance.

[6]  Émilie Chouzenoux,et al.  Efficient Maximum Entropy Reconstruction of Nuclear Magnetic Resonance T1-T2 Spectra , 2010, IEEE Transactions on Signal Processing.

[7]  Y. Parmet,et al.  Laplace Inversion of Low-Resolution NMR Relaxometry Data Using Sparse Representation Methods , 2013, Concepts in magnetic resonance. Part A, Bridging education and research.

[8]  Antonin Chambolle,et al.  Nonlinear wavelet image processing: variational problems, compression, and noise removal through wavelet shrinkage , 1998, IEEE Trans. Image Process..

[9]  Gene H. Golub,et al.  Generalized cross-validation as a method for choosing a good ridge parameter , 1979, Milestones in Matrix Computation.

[10]  Michael Elad,et al.  Coordinate and subspace optimization methods for linear least squares with non-quadratic regularization , 2007 .

[11]  Liu Wei The Inversion of Two-dimensional NMR Map , 2007 .

[13]  Marc Teboulle,et al.  A Fast Iterative Shrinkage-Thresholding Algorithm for Linear Inverse Problems , 2009, SIAM J. Imaging Sci..

[14]  Charles S. Johnson,et al.  Determination of Molecular Weight Distributions for Polymers by Diffusion-Ordered NMR , 1995 .

[15]  S. Nie,et al.  An inversion method of 2D NMR relaxation spectra in low fields based on LSQR and L-curve. , 2016, Journal of magnetic resonance.

[16]  Zhou Xiao-lon An Iterative Truncated Singular Value Decomposition(TSVD)-Based Inversion Methods for 2D NMR , 2013 .

[17]  M. Maiwald,et al.  Process and reaction monitoring by low-field NMR spectroscopy. , 2012, Progress in nuclear magnetic resonance spectroscopy.

[18]  S. Provencher A constrained regularization method for inverting data represented by linear algebraic or integral equations , 1982 .

[19]  James P. Butler,et al.  Estimating Solutions of First Kind Integral Equations with Nonnegative Constraints and Optimal Smoothing , 1981 .

[20]  F. Lin,et al.  Study on algorithms of low SNR inversion of T2 spectrum in NMR , 2011 .

[21]  Hua Chen,et al.  Joint inversion of T1-T2 spectrum combining the iterative truncated singular value decomposition and the parallel particle swarm optimization algorithms , 2016, Comput. Phys. Commun..

[22]  I. Daubechies,et al.  An iterative thresholding algorithm for linear inverse problems with a sparsity constraint , 2003, math/0307152.

[23]  Lalitha Venkataramanan,et al.  Solving Fredholm integrals of the first kind with tensor product structure in 2 and 2.5 dimensions , 2002, IEEE Trans. Signal Process..

[24]  J. Hilgers,et al.  Comparing different types of approximators for choosing the parameters in the regularization of ill-posed problems , 2004 .

[25]  Carmine D'Agostino,et al.  In situ study of reaction kinetics using compressed sensing NMR. , 2014, Chemical communications.

[26]  J. Jakeš Testing of the constrained regularization method of inverting Laplace transform on simulated very wide quasielastic light scattering autocorrelation functions , 1988 .

[27]  Per Christian Hansen,et al.  Analysis of Discrete Ill-Posed Problems by Means of the L-Curve , 1992, SIAM Rev..

[28]  Paul D. Teal,et al.  Adaptive truncation of matrix decompositions and efficient estimation of NMR relaxation distributions , 2015 .