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1. |
Rapid estimation of the number of coeluting components in liquid chromatography by factor analysis |
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Journal of Chemometrics,
Volume 5,
Issue 5,
1991,
Page 417-434
Chengbo Shen,
Thomas J. Vickers,
Charles K. Mann,
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摘要:
AbstractEvaluation of the results of factor analysis of sets of spectroscopically detected chromatograms is carried out by examining the shapes of the abstract factors. This is done either by visual inspection or by analysis of the power density spectra produced from them. Owing to constraints imposed by the column function and the spectroscopic instrument function, the information content of the chromatograms necessarily occurs at low spatial frequencies. As a consequence, it appears as relatively broad features in the abstract chromatograms and as a peak in the low‐frequency region of the corresponding power density plot. On the basis of examination of the power density distribution, a well‐defined distinction is made between primary and secondary abstract factors. The major uncertainty encountered in determining the number of chemical components appears to arise from effects of contaminants in reage
ISSN:0886-9383
DOI:10.1002/cem.1180050503
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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2. |
A class‐modelling technique based on potential functions |
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Journal of Chemometrics,
Volume 5,
Issue 5,
1991,
Page 435-453
Michele Forina,
Carla Armanino,
Riccardo Leardi,
Giuliana Drava,
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摘要:
AbstractA probabilistic and distribution‐free class‐modelling technique is developed from potential function discriminant analysis. In the multidimensional space of variables the class boundary is built either by the sample percentile of the probability density estimated by means of potential functions, or by the estimate of the ‘equivalent’ determinant of the variance–covariance matrix. The equivalent determinant is that of a hypothetical multivariate normal distribution whose mean probability density was obtained by potential functions. The bases of this modelling rule are evaluated by means of Monte Carlo experiments. The results on four datasets are used to measure the performances of this method, which equal and sometimes exceed the performances of parametric class‐modelling methods based on linear and quadratic discriminant analysis which were used for
ISSN:0886-9383
DOI:10.1002/cem.1180050504
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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3. |
Correspondence analysis and adsorbate selection for chemical sensor arrays |
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Journal of Chemometrics,
Volume 5,
Issue 5,
1991,
Page 455-465
Fernando Avila,
D. E. Myers,
Chris Palmer,
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摘要:
AbstractCareyet al.utilized principal components analysis (PCA) to analyze frequency shift data obtained from piezoelectric sensors formed by coating quartz crystals with 27 different GC stationary phases and tested using 14 analytes. The objective of the analysis was to determine an optimal reduced set of coatings for detection of the analytes. The results were correlated with those obtained from cluster analysis. In this paper the data are re‐analyzed using correspondence analysis (CA). The advantage of using CA include a symmetric treatment of sensor coatings and analytes and better identification of the representation of the analytes in terms of the detection components. The results obtained by the conjunctive use of PCA, a varimax rotation and cluster analysis were obtained by C
ISSN:0886-9383
DOI:10.1002/cem.1180050505
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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4. |
Fuzzy multivariate rule‐building expert systems: Minimal neural networks |
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Journal of Chemometrics,
Volume 5,
Issue 5,
1991,
Page 467-486
Peter B. Harrington,
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摘要:
AbstractA fuzzy multivariate rule‐building expert system (FuRES) has been devised which also functions as a minimal neural network. This system builds rules from training sets of data that use feature transformation in their antecedents. The rules are constructed using the ID3 algorithm with a fuzzy expression of classification entropy. The rules are optimal with respect to fuzziness and can accommodate overlapped and underlapped clusters of data. The FuRES algorithm combines the benefits obtained from simulated annealing and gradient optimization, which provide robustness and efficiency respectively. FuRES classification trees support OR logic in their inference. The system automatically generates meaningful and consistent certainty factors during rule construction. Unlike other neural networks, FuRES uses local processing which furnishes qualitative information in the rule structure of its classification trees and variable loadings of the weight vector
ISSN:0886-9383
DOI:10.1002/cem.1180050506
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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5. |
Diary |
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Journal of Chemometrics,
Volume 5,
Issue 5,
1991,
Page -
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PDF (28KB)
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ISSN:0886-9383
DOI:10.1002/cem.1180050502
出版商:John Wiley&Sons, Ltd.
年代:1991
数据来源: WILEY
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