scholarly journals A Software Package to Simplify Tikhonov Regularization with Examples for Matrix-Based Inversion of SMPS and HTDMA Data

2021 ◽  
Author(s):  
Markus D. Petters

Abstract. Tikhonov regularization is a tool for reducing noise amplification during data inversion. This work introduces RegularizationTools.jl, a general-purpose software package to apply Tikhonov regularization to data. The package implements well-established numerical algorithms and is suitable for systems of up to ~1000 equations. Included is an abstraction to systematically categorize specific inversion configurations and their associated hyperparameters. A generic interface translates arbitrary linear forward models defined by a computer function into the corresponding design matrix. This obviates the need to explicitly write out and discretize the Fredholm integral equation, thus facilitating fast prototyping of new regularization schemes associated with measurement techniques. Example applications include the inversion involving data from scanning mobility particle sizers (SMPS) and humidified tandem differential mobility analyzers (HTDMA). Inversion of SMPS size distributions reported in this work builds upon the freely-available software DifferentialMobilityAnalyzers.jl. The speed of inversion is improved by a factor of ~200, now requiring between 2 and 5 ms per SMPS scan when using 120 size bins. Previously reported occasional failure to converge to a valid solution is reduced by switching from the L-curve method to generalized cross-validation as the metric to search for the optimal regularization parameter. Higher-order inversions resulting in smooth, denoised reconstructions of size distributions are now included in DifferentialMobilityAnalyzers.jl. This work also demonstrates that an SMPS-style matrix-based inversion can be applied to find the growth factor frequency distribution from raw HTDMA data, while also accounting for multiply-charged particles. The outcome of the aerosol-related inversion methods is showcased by inverting multi-week SMPS and HTDMA datasets from ground-based observations, including SMPS data obtained at Bodega Bay Marine Laboratory during the Calwater 2/ACAPEX campaign, and co-located SMPS and HTDMA data collected at the U.S. Department of Energy observatory located at the Southern Great Plains site in Oklahoma, U.S.A. Results show that the proposed approaches are suitable for unsupervised, nonparametric inversion of large-scale datasets as well as inversion in real-time during data acquisition on low-cost reduced-instruction-set architectures used in single-board computers. The included software implementation of Tikhonov regularization is freely-available, general, and domain-independent, and thus can be applied to many other inverse problems arising in atmospheric measurement techniques and beyond.

2021 ◽  
Vol 14 (12) ◽  
pp. 7909-7928
Author(s):  
Markus D. Petters

Abstract. Tikhonov regularization is a tool for reducing noise amplification during data inversion. This work introduces RegularizationTools.jl, a general-purpose software package for applying Tikhonov regularization to data. The package implements well-established numerical algorithms and is suitable for systems of up to ~1000 equations. Included is an abstraction to systematically categorize specific inversion configurations and their associated hyperparameters. A generic interface translates arbitrary linear forward models defined by a computer function into the corresponding design matrix. This obviates the need to explicitly write out and discretize the Fredholm integral equation, thus facilitating fast prototyping of new regularization schemes associated with measurement techniques. Example applications include the inversion involving data from scanning mobility particle sizers (SMPSs) and humidified tandem differential mobility analyzers (HTDMAs). Inversion of SMPS size distributions reported in this work builds upon the freely available software DifferentialMobilityAnalyzers.jl. The speed of inversion is improved by a factor of ~200, now requiring between 2 and 5 ms per SMPS scan when using 120 size bins. Previously reported occasional failure to converge to a valid solution is reduced by switching from the L-curve method to generalized cross-validation as the metric to search for the optimal regularization parameter. Higher-order inversions resulting in smooth, denoised reconstructions of size distributions are now included in DifferentialMobilityAnalyzers.jl. This work also demonstrates that an SMPS-style matrixbased inversion can be applied to find the growth factor frequency distribution from raw HTDMA data while also accounting for multiply charged particles. The outcome of the aerosol-related inversion methods is showcased by inverting multi-week SMPS and HTDMA datasets from ground-based observations, including SMPS data obtained at Bodega Marine Laboratory during the CalWater 2/ACAPEX campaign and co-located SMPS and HTDMA data collected at the US Department of Energy observatory located at the Southern Great Plains site in Oklahoma, USA. Results show that the proposed approaches are suitable for unsupervised, nonparametric inversion of large-scale datasets as well as inversion in real time during data acquisition on low-cost reducedinstruction- set architectures used in single-board computers. The included software implementation of Tikhonov regularization is freely available, general, and domain-independent and thus can be applied to many other inverse problems arising in atmospheric measurement techniques and beyond.


2021 ◽  
Vol 7 (2) ◽  
pp. 18
Author(s):  
Germana Landi ◽  
Fabiana Zama ◽  
Villiam Bortolotti

This paper is concerned with the reconstruction of relaxation time distributions in Nuclear Magnetic Resonance (NMR) relaxometry. This is a large-scale and ill-posed inverse problem with many potential applications in biology, medicine, chemistry, and other disciplines. However, the large amount of data and the consequently long inversion times, together with the high sensitivity of the solution to the value of the regularization parameter, still represent a major issue in the applicability of the NMR relaxometry. We present a method for two-dimensional data inversion (2DNMR) which combines Truncated Singular Value Decomposition and Tikhonov regularization in order to accelerate the inversion time and to reduce the sensitivity to the value of the regularization parameter. The Discrete Picard condition is used to jointly select the SVD truncation and Tikhonov regularization parameters. We evaluate the performance of the proposed method on both simulated and real NMR measurements.


2013 ◽  
Vol 347 ◽  
pp. 75-110 ◽  
Author(s):  
S.K. Omanwar ◽  
K.A. Koparkar ◽  
Hardev Singh Virk

Thermoluminescence (TL) is the thermally stimulated emission of light from an insulator or a semiconductor following the previous absorption of energy from ionizing radiation. TL dosimetry is used in many scientific and applied fields such as radiation protection, radiotherapy, industry, and environmental and space research, using many different materials. The basic demands of a thermoluminescent dosimeter (TLD) are good reproducibility, low hygroscopicity, and high sensitivity for very low dose measurements and good response at high doses in radiotherapy and in mixed radiation fields. In this review, we have discussed the past developments and the future opportunities in TLD materials and our efforts to make better future use of low cost materials in TLD applications. For this we have studied and discussed two efficient TLD phosphors with low cost and simple method of preparation on large scale for TLD materials. One of the phosphors is LiF:Mg,Cu,P (LiF: MCP), and another one is LiCaAlF6:Eu, which has the potential to replace conventionally used CaSO4:Dy TL dosimeter. LiF: MCP and LiCaAlF6: Eu phosphors are potential candidates for TL dosimetry and could be good replacement for commercially available phosphors. Apart from this, we have also studied thermoluminescence in Aluminate and Borate materials. We have discussed in detail all three types of TLD materials. First, our study includes complete detail of material properties, methods and dosimetric characterizations of LiF: MCP Phosphor; second, it includes a new TL Dosimeter, LiCaAlF6: Eu and its dosimetric characterizations; and lastly on some TL properties of Li5AlO4: Mn and MgB4O7: Dy,Na. In this review, we discus some recent developments in radiation dosimetry with regards to the measurement techniques and material preparations. Although many materials have been and are currently being studied for TLD, still there is a scope for the improvement in the material properties useful for the TLD, and the synthesis of new, more suitable materials. Contents of Paper


1987 ◽  
Vol 19 (5-6) ◽  
pp. 701-710 ◽  
Author(s):  
B. L. Reidy ◽  
G. W. Samson

A low-cost wastewater disposal system was commissioned in 1959 to treat domestic and industrial wastewaters generated in the Latrobe River valley in the province of Gippsland, within the State of Victoria, Australia (Figure 1). The Latrobe Valley is the centre for large-scale generation of electricity and for the production of pulp and paper. In addition other industries have utilized the brown coal resource of the region e.g. gasification process and char production. Consequently, industrial wastewaters have been dominant in the disposal system for the past twenty-five years. The mixed industrial-domestic wastewaters were to be transported some eighty kilometres to be treated and disposed of by irrigation to land. Several important lessons have been learnt during twenty-five years of operating this system. Firstly the composition of the mixed waste stream has varied significantly with the passage of time and the development of the industrial base in the Valley, so that what was appropriate treatment in 1959 is not necessarily acceptable in 1985. Secondly the magnitude of adverse environmental impacts engendered by this low-cost disposal procedure was not imagined when the proposal was implemented. As a consequence, clean-up procedures which could remedy the adverse effects of twenty-five years of impact are likely to be costly. The question then may be asked - when the total costs including rehabilitation are considered, is there really a low-cost solution for environmentally safe disposal of complex wastewater streams?


BMC Biology ◽  
2019 ◽  
Vol 17 (1) ◽  
Author(s):  
Amrita Srivathsan ◽  
Emily Hartop ◽  
Jayanthi Puniamoorthy ◽  
Wan Ting Lee ◽  
Sujatha Narayanan Kutty ◽  
...  

Abstract Background More than 80% of all animal species remain unknown to science. Most of these species live in the tropics and belong to animal taxa that combine small body size with high specimen abundance and large species richness. For such clades, using morphology for species discovery is slow because large numbers of specimens must be sorted based on detailed microscopic investigations. Fortunately, species discovery could be greatly accelerated if DNA sequences could be used for sorting specimens to species. Morphological verification of such “molecular operational taxonomic units” (mOTUs) could then be based on dissection of a small subset of specimens. However, this approach requires cost-effective and low-tech DNA barcoding techniques because well-equipped, well-funded molecular laboratories are not readily available in many biodiverse countries. Results We here document how MinION sequencing can be used for large-scale species discovery in a specimen- and species-rich taxon like the hyperdiverse fly family Phoridae (Diptera). We sequenced 7059 specimens collected in a single Malaise trap in Kibale National Park, Uganda, over the short period of 8 weeks. We discovered > 650 species which exceeds the number of phorid species currently described for the entire Afrotropical region. The barcodes were obtained using an improved low-cost MinION pipeline that increased the barcoding capacity sevenfold from 500 to 3500 barcodes per flowcell. This was achieved by adopting 1D sequencing, resequencing weak amplicons on a used flowcell, and improving demultiplexing. Comparison with Illumina data revealed that the MinION barcodes were very accurate (99.99% accuracy, 0.46% Ns) and thus yielded very similar species units (match ratio 0.991). Morphological examination of 100 mOTUs also confirmed good congruence with morphology (93% of mOTUs; > 99% of specimens) and revealed that 90% of the putative species belong to the neglected, megadiverse genus Megaselia. We demonstrate for one Megaselia species how the molecular data can guide the description of a new species (Megaselia sepsioides sp. nov.). Conclusions We document that one field site in Africa can be home to an estimated 1000 species of phorids and speculate that the Afrotropical diversity could exceed 200,000 species. We furthermore conclude that low-cost MinION sequencers are very suitable for reliable, rapid, and large-scale species discovery in hyperdiverse taxa. MinION sequencing could quickly reveal the extent of the unknown diversity and is especially suitable for biodiverse countries with limited access to capital-intensive sequencing facilities.


2020 ◽  
Vol 18 (1) ◽  
pp. 1685-1697
Author(s):  
Zhenyu Zhao ◽  
Lei You ◽  
Zehong Meng

Abstract In this paper, a Cauchy problem for the Laplace equation is considered. We develop a modified Tikhonov regularization method based on Hermite expansion to deal with the ill posed-ness of the problem. The regularization parameter is determined by a discrepancy principle. For various smoothness conditions, the solution process of the method is uniform and the convergence rate can be obtained self-adaptively. Numerical tests are also carried out to verify the effectiveness of the method.


2021 ◽  
Vol 16 (1) ◽  
Author(s):  
Xiao Li Ma ◽  
Guang Tao Fei ◽  
Shao Hui Xu

Abstract In this study, polyaniline (PANI) is prepared by means of chemical oxidization polymerization and directly loaded on the modified fiber ball (m-FB) to obtain macroscale polyaniline/modified fiber ball (PANI/m-FB) composite, and then its removal ability of Cr(VI) is investigated. The effects of different parameters such as contact time, pH value and initial concentration on Cr(VI) removal efficiency are discussed. The experimental results illustrate that the favorable pH value is 5.0 and the maximum removal capacity is measured to be 293.13 mg g−1. Besides, PANI/m-FB composites can be regenerated and reused after being treated with strong acid. The kinetic study indicates that the adsorption procedure is mainly controlled by chemical adsorption. More importantly, the macroscale of composites can avoid secondary pollution efficiently. Benefiting from the low cost, easy preparation in large scale, environmentally friendly, excellent recycling performance as well as high removal ability, PANI/m-FB composites exhibit a potential possibility to remove Cr(VI) from industrial waste water. Graphic Abstract The polyaniline (PANI) was coated on modified fiber ball (m-FB) to remove Cr(VI) in waste water, and this kind of PANI/m-FB composites can avoid secondary pollution efficiently due to its macrostructure. Furthermore, the removal capacity can reach to 291.13 mg/g and can be multiple reused.


2020 ◽  
Vol 9 (1) ◽  
pp. 751-759 ◽  
Author(s):  
Xinxin Lian ◽  
Yuanjiang Lv ◽  
Haoliang Sun ◽  
David Hui ◽  
Guangxin Wang

AbstractAg nanoparticles/Mo–Ag alloy films with different Ag contents were prepared on polyimide by magnetron sputtering. The effects of Ag contents on the microstructure of self-grown Ag nanoparticles/Mo–Ag alloy films were investigated using XRD, FESEM, EDS and TEM. The Ag content plays an important role in the size and number of uniformly distributed Ag nanoparticles spontaneously formed on the Mo–Ag alloy film surface, and the morphology of the self-grown Ag nanoparticles has changed significantly. Additionally, it is worth noting that the Ag nanoparticles/Mo–Ag alloy films covered by a thin Ag film exhibits highly sensitive surface-enhanced Raman scattering (SERS) performance. The electric field distributions were calculated using finite-difference time-domain analysis to further prove that the SERS enhancement of the films is mainly determined by “hot spots” in the interparticle gap between Ag nanoparticles. The detection limit of the Ag film/Ag nanoparticles/Mo–Ag alloy film for Rhodamine 6G probe molecules was 5 × 10−14 mol/L. Therefore, the novel type of the Ag film/Ag nanoparticles/Mo–Ag alloy film can be used as an ideal SERS-active substrate for low-cost and large-scale production.


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