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  • Chemistry  (4)
  • Analytical Chemistry and Spectroscopy  (3)
  • Key words: stochastic programming – probabilistic constraints – metric regularity – nonsmooth analysis – quadratic growth – quantitative stability – empirical approximation Mathematics Subject Classification (1991): 90C15, 90C30, 49J52  (1)
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  • 1
    Digitale Medien
    Digitale Medien
    Springer
    Mathematical programming 84 (1999), S. 55-88 
    ISSN: 1436-4646
    Schlagwort(e): Key words: stochastic programming – probabilistic constraints – metric regularity – nonsmooth analysis – quadratic growth – quantitative stability – empirical approximation Mathematics Subject Classification (1991): 90C15, 90C30, 49J52
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Informatik , Mathematik
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 537-540 
    ISSN: 0886-9383
    Schlagwort(e): Cluster analysis ; Display ; Interlaboratory test ; Ultrametrics ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Ultrametric inter-object distances found by hierarchical clustering may be used to generate and appropriate constellation of points in a plane. A configuration of points which reproduce the ultrametric distances in a low-dimensional space as closely as possible can be found by Torgerson's method of multidimensional scaling. The resulting display supports the cognition of clusters very well, and for this purpose it seems to be superior to, for instance, the frequently applied principal components display. In certain situations dedrograms are expected to become simpler to interpret when such complementary ‘cluster display’ is also consulted. An example from analytical chemistry is presented.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 477-494 
    ISSN: 0886-9383
    Schlagwort(e): Three-way principal components analysis ; Core matrix ; Body diagonalization ; Lower and upper bounds ; Simulation ; Soil contamination ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: In contrast with conventional PCA, a direct superposition and joint interpretation of loading plots is not possible in three-way PCA, since there may be data variance which is described by unequal components of different modes. The contributions to variance of all possible combinations of components are described in the core matrix. Body diagonalization, which is achieved by appropriate rotation of component matrices, is an essential tool for simplifying the core matrix structure. The maximum degree of body diagonality which may be obtained from such transformations is analysed from both the mathematical and simulation viewpoints. It is shown that, at least in the average case, high degrees can be expected, which makes the procedure reasonable for many practical applications. Furthermore, simulation as well as theoretical derivation show that the success of body diagonality depends on the so-called polarity of the core array. The methodology is illustrated by a three-way data example from environmental chemistry.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 4
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 4 (1990), S. 187-189 
    ISSN: 0886-9383
    Schlagwort(e): Analysis of correlation ; Common latent features ; Trace elements in human tissues ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: If in two data tables X and Y objects are characterized by the same variables (measured at different occasions), then looking for common latent features should be more appropriate than choosing latent features in X and Y separately (e.g. as in canonical correlation or PLS). The procedure to be proposed here is a slight modification of the method of linear characteristics (according to De Groot and Li) by disclaiming the assumption of equal inner-block covariance matrices. In order to find weights defining a latent feature with maximal correlation between X and Y, a system of non-linear equations has to be solved. The procedure is applied to the investigation of heavy metal concentrations in different human tissues.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 5
    ISSN: 1040-0397
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: This work addresses the problem of signal resolution by partial least-squares regression (PLS) for differential pulse stripping voltammograms. The performance of PLS is demonstrated for an example of calibration with mixtures of two analytes (Tl+ and Pb2+) with strongly overlapping voltammograms. The accuracy of the determination of concentrations for validation mixtures was found to be considerably higher with PLS than with simple evaluation using currents observed at two potentials (requiring resolution of a system of two linear equations with two unknowns). Hence, PLS is recommended for computer-assisted, on-line voltammetric analysis of multicomponent systems.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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