Different approaches to multivariate calibration of nonlinear sensor data

Dieterle, Frank; Busche, Stefan; Gauglitz, Günter
October 2004
Analytical & Bioanalytical Chemistry;Oct2004, Vol. 380 Issue 3, p383
Academic Journal
In this study, different approaches to the multivariate calibration of the vapors of two refrigerants are reported. As the relationships between the time-resolved sensor signals and the concentrations of the analytes are nonlinear, the widely used partial least-squares regression (PLS) fails. Therefore, different methods are used, which are known to be able to deal with nonlinearities present in data. First, the Box-Cox transformation, which transforms the dependent variables nonlinearly, was applied. The second approach, the implicit nonlinear PLS regression, tries to account for nonlinearities by introducing squared terms of the independent variables to the original independent variables. The third approach, quadratic PLS (QPLS), uses a nonlinear quadratic inner relationship for the model instead of a linear relationship such as PLS. Tree algorithms are also used, which split a nonlinear problem into smaller subproblems, which are modeled using linear methods or discrete values. Finally, neural networks are applied, which are able to model any relationship. Different special implementations, like genetic algorithms with neural networks and growing neural networks, are also used to prevent an overfitting. Among the fast and simpler algorithms, QPLS shows good results. Different implementations of neural networks show excellent results. Among the different implementations, the most sophisticated and computing-intensive algorithms (growing neural networks) show the best results. Thus, the optimal method for the data set presented is a compromise between quality of calibration and complexity of the algorithm.


Related Articles

  • Selection of useful predictors in multivariate calibration. Forina, M.; Lanteri, S.; Oliveros, M. C.; Millan, C. Pizarro // Analytical & Bioanalytical Chemistry;Oct2004, Vol. 380 Issue 3, p397 

    Ten techniques used for selection of useful predictors in multivariate calibration and in other cases of multivariate regression are described and discussed in terms of their performance (ability to detect useless predictors, predictive power, number of retained predictors) with real and...

  • Construction of a multivariate calibration by the simple interval calculation method. Pomerantsev, A.; Rodionova, O. // Journal of Analytical Chemistry;Oct2006, Vol. 61 Issue 10, p952 

    Simple interval calculation is a method for linear modeling and for constructing interval estimates of predictions in a multivariate calibration. Simple interval calculation gives results in a convenient interval form with regard to all the existing uncertainties: measurement errors of...

  • Recent Applications of First- and Second-Order Multivariate Calibration to Analytical Chemistry. ARANCIBIA, JUAN A.; DAMIANI, PATRICIA C.; IBAÑEZ, GABRIELA A.; OLIVIERI, ALEJANDRO C. // Journal of AOAC International;Jan/Feb2014, Vol. 97 Issue 1, p39 

    This report reviews recent literature on the application of multivariate calibration techniques to both first- and second-order data, aimed at the analytical determination of analytes of interest or sample properties in a variety of industrial, pharmaceutical, food, and environmental samples,...

  • Comparative ANNs with Different Input Layers and GA-PLS Study for Simultaneous Spectrofluorimetric Determination of Melatonin and Pyridoxine HCl in the Presence of Melatonin's Main Impurity. Darwish, Hany W.; Attia, Mohamed I.; Abdelhameed, Ali S.; Alanazi, Amer M.; Bakheit, Ahmed H. // Molecules;Jan2013, Vol. 18 Issue 1, p974 

    Melatonin (MLT) has many health implications, therefore it is important to develop specific analytical methods for the determination of MLT in the presence of its main impurity, N-{2-[1-({3-[2-(acetylamino)ethyl]-5-methoxy-1H-indol-2-yl}methyl)-5- methoxy-1H-indol-3-yl]ethyl}acetaamide (DMLT)...

  • SAGE-Based Algorithm for Direction-of-Arrival Estimation and Array Calibration. Kunlai Xiong; Zheng Liu; Wenli Jiang // International Journal of Antennas & Propagation;2014, p1 

    Most existing array processing algorithms are very sensitive to model uncertainties caused by the mutual coupling and sensor location error. To mitigate this problem, a novel method for direction-of-arrival (DOA) estimation and array calibration in the case of deterministic signals with unknown...

  • A Small Radioactive Source in a Large Media—Localization by Multi-detector Measurement. The Case of a Lung Counter. Alfassi, Z. B.; Pelled, O.; German, U. // AIP Conference Proceedings;8/14/2008, Vol. 1036 Issue 1, p155 

    Considerable errors in the determination of radioactive contamination in lungs can be induced if there is no homogeneous distribution, as assumed for the calibration. Modern lung counter systems use several detectors, and the count rate ratios of the detectors can be used for localization of the...

  • Immune Algorithm Complex Method for Transducer Calibration. YU Jiangming; ZHANG Lin; WANG Wenfeng; WANG Jun; SUN Anquan; ZHANG Jiali; LIU Tao // Sensors & Transducers (1726-5479);Aug2014, Vol. 176 Issue 8, p38 

    As a key link in engineering test tasks, the transducer calibration has significant influence on accuracy and reliability of test results. Because of unknown and complex nonlinear characteristics, conventional method can't achieve satisfactory accuracy. An Immune algorithm complex modeling...

  • An In-Flight Calibration Method for Near-Real-Time Humidity Measurements with the Airborne MOZAIC Sensor. Smit, Herman G. J.; Volz-Thomas, Andreas; Helten, Manfred; Paetz, Werner; Kley, Dieter // Journal of Atmospheric & Oceanic Technology;May2008, Vol. 25 Issue 5, p656 

    A new in-flight calibration (IFC) method is described for the humidity sensor flown routinely since 1994 on the Measurement of Ozone and Water Vapor by Airbus In-Service Aircraft (MOZAIC) program’s aircraft. The IFC method corrects the potential drift of the sensor offset at zero relative...

  • The low-temperature energy calibration system for the CUORE bolometer array. Sangiorgio, S.; Ejzak, L. M.; Heeger, K. M.; Maruyama, R. H.; Nucciotti, A.; Olcese, M.; Wise, T. S.; Woodcraft, A. L. // AIP Conference Proceedings;12/16/2009, Vol. 1185 Issue 1, p677 

    The CUORE experiment will search for neutrinoless double beta decay (ββ0ν) of 130Te using an array of 988 TeO2 bolometers operated at 10 mK in the Laboratori Nazionali del Gran Sasso (Italy). The detector is housed in a large cryogen-free cryostat cooled by pulse tubes and a high-power...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics