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在二维反问题中获取稀疏分布。

Obtaining sparse distributions in 2D inverse problems.

作者信息

Reci A, Sederman A J, Gladden L F

机构信息

Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA, United Kingdom.

Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA, United Kingdom.

出版信息

J Magn Reson. 2017 Aug;281:188-198. doi: 10.1016/j.jmr.2017.05.010. Epub 2017 May 25.

Abstract

The mathematics of inverse problems has relevance across numerous estimation problems in science and engineering. L regularization has attracted recent attention in reconstructing the system properties in the case of sparse inverse problems; i.e., when the true property sought is not adequately described by a continuous distribution, in particular in Compressed Sensing image reconstruction. In this work, we focus on the application of L regularization to a class of inverse problems; relaxation-relaxation, T-T, and diffusion-relaxation, D-T, correlation experiments in NMR, which have found widespread applications in a number of areas including probing surface interactions in catalysis and characterizing fluid composition and pore structures in rocks. We introduce a robust algorithm for solving the L regularization problem and provide a guide to implementing it, including the choice of the amount of regularization used and the assignment of error estimates. We then show experimentally that L regularization has significant advantages over both the Non-Negative Least Squares (NNLS) algorithm and Tikhonov regularization. It is shown that the L regularization algorithm stably recovers a distribution at a signal to noise ratio<20 and that it resolves relaxation time constants and diffusion coefficients differing by as little as 10%. The enhanced resolving capability is used to measure the inter and intra particle concentrations of a mixture of hexane and dodecane present within porous silica beads immersed within a bulk liquid phase; neither NNLS nor Tikhonov regularization are able to provide this resolution. This experimental study shows that the approach enables discrimination between different chemical species when direct spectroscopic discrimination is impossible, and hence measurement of chemical composition within porous media, such as catalysts or rocks, is possible while still being stable to high levels of noise.

摘要

逆问题的数学方法在科学和工程中的众多估计问题中都具有相关性。L正则化在稀疏逆问题(即当所寻求的真实属性不能通过连续分布充分描述时,特别是在压缩感知图像重建中)的系统属性重建方面最近受到了关注。在这项工作中,我们专注于将L正则化应用于一类逆问题;核磁共振中的弛豫-弛豫、T-T和扩散-弛豫、D-T相关实验,这些实验在许多领域都有广泛应用,包括探测催化中的表面相互作用以及表征岩石中的流体成分和孔隙结构。我们介绍了一种用于求解L正则化问题的稳健算法,并提供了实现该算法的指南,包括正则化量的选择和误差估计的分配。然后我们通过实验表明,L正则化相对于非负最小二乘法(NNLS)算法和蒂霍诺夫正则化都具有显著优势。结果表明,L正则化算法在信噪比<20时能稳定地恢复分布,并且能够分辨相差仅10%的弛豫时间常数和扩散系数。增强的分辨能力被用于测量浸没在本体液相中的多孔二氧化硅珠内己烷和十二烷混合物的颗粒间和颗粒内浓度;NNLS算法和蒂霍诺夫正则化都无法提供这种分辨率。这项实验研究表明,当直接光谱鉴别不可能时,该方法能够区分不同的化学物质,因此在多孔介质(如催化剂或岩石)中化学成分的测量是可能的,同时对高水平噪声仍具有稳定性。

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