Comparison of partial least squares and lasso regression techniques as applied to laser-induced breakdown spectroscopy of geological samples

Dyar, M. D.; Carmosino, Marco; Breves, E. A.; Ozanne, Marie V.; Clegg, S. M.; Wiens, R. C.

doi:10.1016/j.sab.2012.04.011

Cited by 107 publications

(78 citation statements)

References 28 publications

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“…[18][19][20][21][22] They can be more robust to matrix effects because they use most of the available information. Multivariate methods are much more computationally intensive than the univariate method.…”

Section: High-level Processingmentioning

confidence: 99%

ChemCam activities and discoveries during the nominal mission of the Mars Science Laboratory in Gale crater, Mars

Maurice

Clegg

Wiens

et al. 2016

J. Anal. At. Spectrom.

150

111

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At Gale crater, Mars, ChemCam acquired its first laser-induced breakdown spectroscopy (LIBS) target on Sol 13 of the landed portion of the mission (a Sol is a Mars day). Up to Sol 800, more than 188 000 LIBS spectra were acquired on more than 5800 points distributed over about 650 individual targets. We present a comprehensive review of ChemCam scientific accomplishments during that period, together with a focus on the lessons learned from the first use of LIBS in space. For data processing, we describe new tools that had to be developed to account for the uniqueness of Mars data. With regard to chemistry, we present a summary of the composition range measured on Mars for major-element oxides (SiO 2 , TiO 2 , Al 2 O 3 , FeO T , MgO, CaO, Na 2 O, K 2 O) based on various multivariate models, with associated precisions.ChemCam also observed H, and the non-metallic elements C, O, P, and S, which are usually difficult to quantify with LIBS. F and Cl are observed through their molecular lines. We discuss the most relevant LIBS lines for detection of minor and trace elements (Li, Rb, Sr, Ba, Cr, Mn, Ni, and Zn). These results were obtained thanks to comprehensive ground reference datasets, which are set to mimic the expected mineralogy and chemistry on Mars. With regard to the first use of LIBS in space, we analyze and quantify, often for the first time, each of the advantages of using stand-off LIBS in space: no sample preparation, analysis within its petrological context, dust removal, sub-millimeter scale investigation, multi-point analysis, the ability to carry out statistical surveys and whole-rock analyses, and rapid data acquisition.We conclude with a discussion of ChemCam performance to survey the geochemistry of Mars, and its valuable support of decisions about selecting where and whether to make observations with more time and resource-intensive tools in the rover's instrument suite. In the end, we present a bird's-eye view of Cite this:

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Section: High-level Processingmentioning

confidence: 99%

ChemCam activities and discoveries during the nominal mission of the Mars Science Laboratory in Gale crater, Mars

Maurice

Clegg

Wiens

et al. 2016

J. Anal. At. Spectrom.

150

111

View full text Add to dashboard Cite

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“…For the spectral area normalization, I is the ratio of the original intensity and I sum could be calculated by eqn (5); for position standardization, I was calculated by eqn (8); for the combination method, I was calculated by eqn (9). For Si, Fe and Cu, eqn (10) was used; for Mn and Mg, self-absorption could not be ignored, so eqn (11) was used.…”

Section: Resultsmentioning

confidence: 99%

“…1 Though LIBS has shown great potential in many different applications for its capacity in on-line, in situ analysis, [2][3][4][5][6][7][8] it is mostly used as a type of qualitative analysis or semiquantitative analysis, primarily because of its lack of stability in an ordinary measurement environment. In other words, poor measurement repeatability and reproducibility prevent LIBS from becoming a real super star like other established quantitative analysis techniques.…”

Section: Introductionmentioning

confidence: 99%

An intensity correction method combined with plasma position information for laser-induced breakdown spectroscopy

Zhang

Sun

et al. 2017

J. Anal. At. Spectrom.

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The uncertainty of collected spectral data is one of the most important issues for the application of laserinduced breakdown spectroscopy (LIBS) quantitative analysis. The fluctuation of the target surface simultaneously affects both the focus depth of the laser beam and the relative collection position, either of which may lead to severe fluctuation of the spectral signal. Thus, in this study, for detecting and reducing the fluctuation, an imaging system was deployed to monitor the plasma, and a mathematical model was also built based on both spectral signal and positional information. An ICCD camera was used to record the image of the plasma so as to detect the plasma and acquire positional information. Furthermore, the relationship between plasma position and specific spectral line intensity was obtained by the fitting function. Five aluminium alloy samples were employed to validate the reliability of the proposed method.

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“…It has been applied to many fields of analysis, such as soil [55,65,66], steel [67][68][69], glass [50], rock [70], iron ore [63] and coal [71,72]. The rest of the analysis methods are PCR [50,73,74], LASSO [75,76], kNN [77], ANN [78][79][80][81], SVM [82,83] and so on. PLS has been implemented either to calculate the concentrations of a single element (PLS-1) or to simultaneously calculate the concentrations of more than one element (PLS-2).…”

Section: The Comparison Of Calibration Methodsmentioning

confidence: 99%

“…PLS has been implemented either to calculate the concentrations of a single element (PLS-1) or to simultaneously calculate the concentrations of more than one element (PLS-2). In addition to PLS, other linear (MLR [84,85], PCR [50,73] and LASSO [75][76][77]) and nonlinear regression methods (ANN [86,87]) have been applied to LIBS quantitative analysis. In order to discern the most effective models for interpreting chemical abundances from LIBS spectra of geological samples, Boucher et al [77] had studied nine kinds of linear and nonlinear regression methods.…”

Section: The Comparison Of Calibration Methodsmentioning

confidence: 99%

Calibration Methods of Laser-Induced Breakdown Spectroscopy

Fu¹,

Jia²,

Wang³

et al. 2018

Calibration and Validation of Analytical Methods - A Sampling of Current Approaches

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Laser-induced breakdown spectroscopy (LIBS) has gained great attention over the past two decades due to its many advantages, such as needless sample preparation, capability of remote measurement and fast multielement simultaneous analysis. However, because of its inherent uncertainty features of plasma, it is still a big challenge for LIBS community worldwide to realize high sensitivity and accurate quantitative analysis. Currently, many chemometric analytical methods have been applied to LIBS calibration analysis, including univariate regression, multivariate regression, principal component regression (PCR), partial least squares regression (PLSR) and so on. In addition, appropriate sample and spectral pretreatment can effectively improve the analytical performance (i.e., limit of detection (LOD), accuracy and repeatability) of LIBS. In this chapter, we briefly summarize the progress of these calibration methods and their applications on LIBS and provide our recommendations.

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Comparison of partial least squares and lasso regression techniques as applied to laser-induced breakdown spectroscopy of geological samples

Cited by 107 publications

References 28 publications

ChemCam activities and discoveries during the nominal mission of the Mars Science Laboratory in Gale crater, Mars

ChemCam activities and discoveries during the nominal mission of the Mars Science Laboratory in Gale crater, Mars

An intensity correction method combined with plasma position information for laser-induced breakdown spectroscopy

Calibration Methods of Laser-Induced Breakdown Spectroscopy

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