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  • Analytical Chemistry and Spectroscopy  (2,202)
  • Engineering General  (1,423)
  • Seismology
  • 2020-2020
  • 1995-1999  (4,168)
  • 1950-1954  (49)
  • 1935-1939  (27)
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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Bulletin of engineering geology and the environment 57 (1998), S. 101-109 
    ISSN: 1435-9537
    Keywords: Key words Assisi Earthquake ; Seismology ; Historic buildings ; Umbria-Marche ; Seismic microzonation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Description / Table of Contents: Résumé La sequence sismique de septembre–octobre 1997 qui a affecté l'une des régions historiques les plus importantes d'Italie Centrale a mis en évidence que l'impact économique des tremblements de terre de magnitude modérée peut être considérable. En ce qui concerne la vulnerabilité du patrimoine artistique et architectural, on a constaté que des trésors inestimables pouvaient subir des dégâts importants même lors de secousses modérées. On attire l'attention sur le fait qu'un microzonage sismique ne pourra être efficace que si l'on prend en compte non seulement l'activité sismique passée mais aussi l'historique des développements urbains.
    Notes: Abstract  The September–October 1997 seismic sequence in one of the most important historic areas of Central Italy showed that the economic impact of earthquakes of only moderate magnitude can be high. In view of the vulnerability of the artistic and architectural heritage, priceless treasures in such towns as Assisi are very susceptible to damage as a consequence of such seismic events. Attention is drawn to the fact that for seismic microzonation to be effective, it is essential that not only the past seismic activity but also the history of the urban developments is taken into account.
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  • 2
    ISSN: 1573-0956
    Keywords: Nuclear explosion detection and recognition ; Seismology ; Remote sensing ; Radioactivity ; Ionospheric effects
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract This paper reports on a joint meeting of the Royal Astronomical Society's Joint Association for Geophysics and VERTIC (the Verification Technology Information Centre) held in London in 1992. The topics presented focused on the detection and recognition of underground nuclear explosions. The objective of the meeting was to emphasize the multi-methodological approach that is important in verifying compliance with test-ban treaties. An overview of seismological monitoring was followed by a discussion of the technical and scientific aspects of a global seismic monitoring network, and in particular of the 1991 experiment to test the large-scale international exchange of seismic data between recording stations and data centres world-wide. The current capabilities of satellite remote-sensing were presented, and their use explained in terms of both the provision of information for monitoring the development of foreign nuclear testing programmes and also for providing sufficient information for the evaluation of treaty compliance. A review of radio-isotope sampling showed how the isotopic signature of both air and ground based sampling programmes can be diagnostic of the nuclear source. Finally, previously classified research on the ionospheric effects of underground nuclear explosions was presented, the generated acoustic waves disturbing the ionosphere and producing detectable changes in the reflection of radio and radar signals which have potential as a monitoring technique.
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  • 3
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 1-2 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 4
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 3-20 
    ISSN: 0886-9383
    Keywords: Deconvolution algorithms ; Instrumental analysis ; Spectrometry ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Deconvolution algorithms for measurand reconstruction are considered. Their metrological and numerical properties are briefly characterized. Six algorithms most frequently used for instrumental applications are selected for closer analysis. Their comparative study is based on the use of spectrometric-type synthetic data, calorimetric-type synthetic data and spectrometric real-world data. Conclusions concerning computational complexity and accuracy of the compared algorithms as well as their metrological applicability are drawn.
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  • 5
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 67-68 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 6
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995) 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 7
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995) 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 8
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    Journal of Chemometrics 9 (1995), S. 125-135 
    ISSN: 0886-9383
    Keywords: Procrustean analysis ; FT-IR spectroscopy ; NIR spectroscopy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Procrustean methods allow the fitting of a given matrix to another given matrix observed on the same objects. In the traditional approach orthogonal constraints are imposed upon the transformation matrix, whereas in the alternative approach Procrustean analysis may be performed without such constraints. The two methods (with and without constraints) were compared on data dealing with mid- and near-infrared spectra of oil. The aim was to reconstruct the mid-infrared spectral information using data from the near-infrared spectra. Unconstrained Procrustean analysis proved to be the more efficient for both the calibration and verification sets. Furthermore, the analysis of the transformation matrix between the two infrared ranges made it possible to indicate wavelengths and wave numbers corresponding to the same chemical groups.
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  • 9
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    Journal of Chemometrics 9 (1995), S. 91-123 
    ISSN: 0886-9383
    Keywords: H-principle ; PCA ; PLS regression ; latent variable models ; quadratic models ; sensitivity analysis ; outlier tests ; prediction variances ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We present here an algorithmic approach to modelling data that includes principal component analysis (PCA) and partial least squares (PLS). In fact, the numerical algorithm presented can carry out PCA or PLS. The algorithm for linear analysis and extensions to non-linear analysis applies to both PCA and PLS. The algorithm allows for combination of PCA and PLS types of models and therefore extends modelling to new types of models that involve combination of regression models and ‘selection of variation’ models, which is the idea of PCA-type models. The fact that the algorithm carries out both PCA and PLS shows that PCA and PLS are based on the same theory. This theory is based on the H-principle of mathematical modelling. The algorithm allows tests for outliers, sensitivity analysis and tests of submodels. These aspects of the algorithm are treated in detail. We compute various measures of sizes, e.g. of components, of the covariance matrix, of its inverse, etc. that show how much the algorithm has selected at each step. The analysis is illustrated by data from practice.
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  • 10
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    Journal of Chemometrics 9 (1995), S. 169-178 
    ISSN: 0886-9383
    Keywords: minimum volume ellipsoid (MVE) estimators ; robust distance method ; pattern recognition ; Hotelling's T2 statistics ; near-infrared spectra ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for pattern recognition analysis of near-infrared spectra has been developed using robust distances determined by minimum volume ellipsoid (MVE) estimators of multivariate location and scatter. Classical methods such as the Mahalanobis distance method often fail in the presence of a moderate number of outliers in a training data set, while robust distance methods can tolerate a considerably larger proportion of outliers in a training data set Outliers can be detected by their relatively large robust distances and can be excluded from a training set without a priori knowledge of the nature of the data set. In this paper the properties of a robust distance method are examined using near-infrared spectra of sulfamethoxazole and mixtures with its major degradation products, sulfanilic acid and sulfanilamide. The robust distance method successfully detected unacceptable samples (71.4%-89.3% (α = 0.05) or 78.6%-92.9% (α = 0.10)) even when they were inadvertently included in the training data set.
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  • 11
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    Journal of Chemometrics 9 (1995), S. 226-228 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 12
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 197-209 
    ISSN: 0886-9383
    Keywords: proficiency test ; true value ; homogeneity robust statistic ; standard ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Profficiency tests raise two types of problems: (i) the homogeneity of a sample must be carefully checked before using it as a reference material; (ii) it is necessary to define a conventional reference value (RV) in order to rank participants. Since these topics are poorly addressed in the literature, a reference material was specially prepared in order to propose a procedure for verifying homogeneity and to establish whether the algorithms classically used to compute the conventional true value have an influence on the conclusion of the test.The homogeneity of the sample was not perfect and univariate and multivariate techniques were used to demonstrate some analytes can be suspected as heterogeneous. However, this was considered adequate for introducing the sample in a large proficiency test organized between four laboratory associations which regularly perform such tests. Altogether more than 3000 measurements were collected and eight algorithms were applied to compute the RV on 14 analytes. Thus is was possible to demonstrate that some of these algorithms are better adapted than others. It is also obvious that some analytes are better suited to proficiency testing.It can be concluded from this work that some effort towards standardization would be profitable to check homogeneity or to compute the RV, especially since the economic weight of proficiency testing is becoming even more important with the development of certification accreditation.
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  • 13
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 331-342 
    ISSN: 0886-9383
    Keywords: partial least squares (PLS) ; variable selection ; IVS-PLS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: With the aim of developing PLS models with improved predictive properties, an interactive variable selection (IVS) approach for PLS regression was introduced in Part I of this series. IVS-PLS is based on a dimension-wise selective removal of single elements in the PLS weight vector w. IVS uses cross-validation (CV) as a guiding tool. The present paper illustrates the use of IVS-PLS on both simulated data and real examples from chemistry. In the first example, spectrophotometric data were simulated according to an experimental design. The objective was to see how IVS-PLS was influenced by different levels of noise in X and Y and by the number of predictor variables (K). The results of the modelling are shown as response surfaces. In addition, four real examples were modelled by the IVS-PLS technique. The real data sets were chosen to reflect different types of data from chemistry. For each example a comparison of ‘prediction error sum of squares’ (PRESS) between IVS-PLS and classical PLS is madeFor most of the examples containing many predictor variables IVS-PLS shows an improvement in predictive properties over classical PLS. Also, improvements for IVS-PLS2 (modelling of more than one y-variable) models were found. For data sets with a moderate number of variables the influence of the IVS method becomes less pronounced.
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  • 14
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 389-409 
    ISSN: 0886-9383
    Keywords: multivariate image analysis ; principal component analysis ; exploratory data analysis ; projection in multivariate space ; graphical visualization ; noise ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Multivariate image analysis (MIA) is a powerful tool for many image segmentation and classification problems, but the interpretation and understanding of the original and resulting multidimensional (multivariate) data are not always easy. A strategy for MIA has been proposed which describes its usage on multivariate images for segmentation tasks. MIA starts with principal component analysis (PCA) and then continues with interactive analysis of the output from PCA. In this paper a number of extensions to MIA are proposed. The extensions are the suggestion to incorporate preprocessing of the multivariate image in MIA, the suggestion to use synthetic multivariate image models which create a clear-cut situation, and new visualization tools which improve the interactivity and understanding of the results. Extended MIA is applied on synthetic multivariate image data simulating a possible application with large noise, positron emission tomography (PET). As a result of the interactive analysis, suggestions for preprocessing emerge. The developed methodology for handling the noise is then applied on real PET image data with good results.
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  • 15
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    Journal of Chemometrics 9 (1995), S. 21-29 
    ISSN: 0886-9383
    Keywords: Near-infrared absorbance ; Partial least squares ; Principal component regression ; Root-mean-square error of prediction ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of principal component regression (PCR) as a multivariate calibration method has been discussed by a number of authors. In most situations principal components are included in the regression model in sequence based on the variances of the components, and the principal components with small variances are rarely used in regression. As pointed out by some authors, a low variance for a component does not necessarily imply that the corresponding component is unimportant, especially when prediction is of primary interest. In this paper we investigate a different version of PCR, correlation principal component regression (CPCR). In CPCR the importance of principal components in terms of predicting the response variable is used as a basis for the inclusion of principal components in the regression model. Two typical examples arising from calibrating near-infrared (NIR) instruments are discussed for the comparison of the two different versions of PCR along with partial least squares (PLS), a commonly used regression approach in NIR analysis. In both examples the three methods show similar optimal prediction ability, but CPCR performs better than standard PCR and PLS in terms of the number of components needed to achieve the optimal prediction ability. Similar results are also seen in other NIR examples.
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  • 16
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. i 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 17
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    Journal of Chemometrics 9 (1995), S. 137-138 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 18
    ISSN: 0886-9383
    Keywords: pattern recognition ; infrared spectra ; factor analysis ; maximum likelihood method ; entropy of information ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The spectral region from 700 to 3600 cm-1 is subdivided into several wave number intervals. The peaks in each interval are summarized by means of three encoding algorithms. Using a factor model of kcommon factors, the total extractable variacnce (com) of a given set of intervals is calculated and correlated with the redundancy of information in all these intervals. The value of com is verified by analysis of the factor loadings aik (factor pattern). Finally, the information content of some chosen sets of intervals coded by the three selected feature algorithms will be correlated to the probability of information flow through a serial-parallel network. The encoding using only wave numbers was found to be the most effective.
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  • 19
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    Journal of Chemometrics 9 (1995), S. 211-221 
    ISSN: 0886-9383
    Keywords: diagnostics statistics ; QSAR ; MASCA ; principal component regression ; non-least squares regression ; types of multicollincarity ; flagged observations ; influential points ; high-leverage points ; outliers ; extra-carrier points ; random perturbation ; cluster correalation ; resampling ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The formal application of a Hansch analysis to a series of 3-quinuclidinyl benzylates (QNBs) led to a ‘statistically significant’ QSAR equation. In contrast, the application of the MASCA model has shown that the design matrix is unsuitable for each QSAR analysis: one sample member is an outlier but not a high-leverage or influential point; another one is an influential point, a high-leverage point and an extra-carrier point. The regressors of the design matrix are multicollinear without predictive model power. The result of such flagged observation and this type of multicollinearity is a multiple cluster correlation. The QNB series is a good example for ‘sampling artifacts’ where no practically important but artificial QSARs can be found.
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  • 20
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    Journal of Chemometrics 9 (1995), S. 230-231 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 21
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    Journal of Chemometrics 9 (1995), S. 239-262 
    ISSN: 0886-9383
    Keywords: industrial experimentation ; parameter design ; quality by design ; robust design ; Taguchi method ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The aim of this paper is to present a simple structured review of the different approaches to robust process design to clarify their similarities and dissimilarities. It is primarily written for practitioners who wish to understand and compare the main ideas of each approach and to apply them to their work. Two examples are used to illustrate the different approaches and their corresponding data analysis strategies: the first one is a constructed example on a pigment kneading process and the second one is real example dealing with the validation of an HPLC method. A comparison of the different approaches is provided and some practical recommendations are formulated.
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  • 22
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    Journal of Chemometrics 9 (1995), S. 323-326 
    ISSN: 0886-9383
    Keywords: partial least squares ; biased regression ; ordinary least squares ; minimum length least squares ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An algebraic proof is given that in partial least squares (PLS) regression the Euclidean length of the estimator is shrunk in comparison with the ordinary least squares estimator or with PLS estimators based on a larger number of dimensions.
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  • 23
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    Journal of Chemometrics 9 (1995) 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 24
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    Journal of Chemometrics 9 (1995), S. 363-372 
    ISSN: 0886-9383
    Keywords: PLS regression ; orthogonal expansion ; optimization ; Lagrange multipliers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple iteration algorithm that is faster and less memory-intensive than the NIPALS iteration algorithm for PLS regression is presented. The iteration algorithm is obtained by treating the orthogonal expansion or decomposition of a matrix X as an extremum problem subject to normalization and orthogonality constraint conditions and then solving the problem by use of the method of Lagrange multipliers. The main idea in this method is to find the transformation vector r. The latent variable t is expressed exactly as the linear combination of X-variables with the vector r so that the final regression coefficients can be conveniently provided. In the algorithm the recursion of the orthogonal projection is needed, which is derived by use of a matrix inverse formula. Algorithms are established from the equation for calculating the vector r that are suitable for dealing with three cases of large data sets. The first case is when the number of objects is very large, the number of variables is relatively small and the number of Y-variables is equal to or greater than the number of X-variables. The second case is when the number of objects is very large, the number of variables is relatively small and the number of X-variables is greater than the number of Y-variables. The last case is when the number of variables, either X- or Y-variables, or both, is very large and the number of objects is small.
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  • 25
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    Journal of Chemometrics 9 (1995), S. 423-430 
    ISSN: 0886-9383
    Keywords: PLS ; neural network ; training ; interpretable ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This communication describes the combination of a feedforward neural network (NN) with one hidden neuron and partial least squares (PLS) regression. Through training of the neural network with an algorithm that is a combination of a modified simplex, PLS and certain numerical restrictions, one gains an NN solution that has several feasible properties: (i) as in PLS the solution is qualitatively interpretable; (ii) it works faster than or comparably with ordinary training algorithms for neural networks; (iii) it contains the linear solution as a limiting case. Another very important aspect of this training algorithm is the fact that outlier detection as in ordinary PLS is possible through loadings, scores and residuals. The algorithm is used on a simple non-linear problem concerning fluorescence spectra of white sugar solutions.
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  • 26
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    Journal of Chemometrics 9 (1995), S. 439-439 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 27
    ISSN: 0886-9383
    Keywords: PLS ; kernel algorithm ; multivariate calibration ; EM algorithm ; cross-validation ; missing data ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This is Part II of a series concerning the PLS kernel algorithm for data sets with many variables and few objects. Here the issues of cross-validation and missing data are investigated. Both partial and full crossvalidation are evaluated in terms of predictive residuals and speed and are illustrated on real examples. Two related approaches to the solution of the missing data problem are presented. One is a full EM algorithm and the second a reduced EM algorithm which applies when the number of missing values is small. The two examples are multivariate calibration data sets. The first set consists of UV-visible data measured on mixtures of four metal ions. The second example consists of FT-IR measurements on mixtures consisting of four different organic substances.
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  • 28
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    Journal of Chemometrics 9 (1995), S. 509-520 
    ISSN: 0886-9383
    Keywords: canonical variates ; discriminant analysis ; partial least squares ; principal components ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new set of derived variables is proposed for exhibiting group separation in multivariate data on for preprocessing such data prior to discriminant analysis. The technique combines optimal features of canonical variate analysis and principal component analysis: the derived variables are linear combinations of the original variables that optimize the canonical variate criterion (ratio of between-group to within-group variance) but subject to the orthogonality constraints of principal components. In this formulation the canonical variates can be derived even when the within-group matrix is singular (i.e. when there are more variables than objects in the data matrix). A simple computational algorithm for extraction of these variables is proposed. The methods are illustrated on several data sets and compared with alternative techniques such as principal component analysis and partial least squares.
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  • 29
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 30
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    Journal of Chemometrics 9 (1995), S. 59-66 
    ISSN: 0886-9383
    Keywords: Mathematical approximation ; Sigmoid curve ; Sensitometric curve ; Photographic material ; Non-linear regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper studies the application possibilities of various mathematical analytical functions to models of approximation of sigmoid sensitometric curves of photographic materials. The newly developed functions have been tested along with approximation functions taken from the literature: the former fulfil the statistical criteria of fitting the regression and experimental curve in the best way. The model functions can be used not only for objective determination of sensitometric quantities but also for determination of the general sensitivity (speed) of photographic materials.
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  • 31
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    Journal of Chemometrics 9 (1995), S. 69-89 
    ISSN: 0886-9383
    Keywords: chemometrics ; pattern recognition ; class modeling ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Different estimators of the Mahalanobis distance (such as that based on the Defrise - Gussenhoven correction) are studied and compared with respect to the bias on the distance and the characteristics (sensitivity and specificity) of the class model.Results obtained using estimators with critical values from χ2-statistics are compared with those obtained using estimators with critical values from β-statistics (training set) and Hotelling statistics (evaluation set).Tables are reported for D-statistics (useful for simulating populations of two categories with selectable theoretical sensitivity and specificity) and for critical values of the Mahalanobis distance obtained from β-statistics.For objects of the training set the estimator of the Mahalanobis distance based on the estimate of the covariance matrix produces models with the optimum sensitivity. The same model has too low a sensitivity for objects of the model category in the evaluation set, but good specificity for objects of outer categories.The estimator with the Defrise-Gussenhoven correction produces enlarged models with too high a sensitivity for objects in the training set, good sensitivity for objects of the model category in the evaluation set and low specificity for objects of outer categories.
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    Journal of Chemometrics 9 (1995), S. 139-141 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 229-229 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 309-322 
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    Keywords: simulated annealing ; messy genetic algorithms ; optimization of multimodal objective functions ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: The method of simulated annealing is modified so that the concept of messy chromosomes is applied. Constituent genes of messy chromosomes are specified by their respective names (indices) and values (alleles) simultaneously. Unlike simple chromosomes (binary vectors), messy chromosomes may be either under- or overspecified with respect to the problem being solved. The messy simulated annealing algorithm is a very robust and efficient stochastic optimization method which is able to find correct minima of deceptive or highly multimodal objective functions. This is shown by way of a number of simulations.
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    Journal of Chemometrics 9 (1995), S. ii 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 373-387 
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    Keywords: robust regression ; outliers ; spectroscopy ; calibration ; MASBR (maximum sum of binary coded residuals) ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: In this paper, a novel robust regression method, the maximum sum of binary coded residuals (MASBR), is proposed. Instead of the sum of squared residuals used in least squares regression as the minimization criterion, MASBR regression maximizes the sum of binary coded residuals. MASBR regression is designed for cases where the conventional robust regression methods with breakdown points less than 50% fail. To circumvent the problem of being trapped in local optima, a stepwise-varying acceptable error limit (SVAEL) algorithm is proposed. Both numerical simulation and treatment of real analytical data demonstrate the feasibility of MASBR regression in conjunction with the SVAEL algorithm.
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    Journal of Chemometrics 9 (1995), S. 431-432 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995) 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 489-507 
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    Keywords: QSAR ; partial least squares ; robust regression ; CoMFA ; weighted regression ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: A robust implementation of partial least squares (PLS) is developed in which the method of iteratively reweighted least squares is adapted for use with PLS. The result is a PLS algorithm which is robust to outliers and is easy to implement. Examples and case studies are presented, followed by two Monte Carlo studies designed to explore the behavior of the method.The paper begins with the motivation and intended applications for the procedure. A discussion is given of the method of interatively reweighted least squares (IRLS) for outlier detection. The procedure, given the name IRPLS, is then presented. Three case studies illustrate how the procedure works on various types of data and how it should be used. The first Monte Carlo study is designed to determine whether the IRPLS procedure correctly identifies multiple outliers in a wide variety of configurations. The second Monte Carlo study is designed to estimate the breakdown bound of the procedure.
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 31-58 
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    Keywords: Multivariate curve resolution ; Three-way data analysis ; Factor analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: A new multivariate curve resolution method is presented and tested with data of various levels of complexity. Rotational and intensity ambiguities and the effect of selectivity on resolution are the focus. Analysis of simulated data provides the general guidelines concerning the conditions for uniqueness of a solution for a given problem. Multivariate curve resolution is extended to the analysis of three-way data matrices. The particular case of three-way data where only one of the orders is common between slices is studied in some detail.
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    Journal of Chemometrics 9 (1995), S. 179-195 
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    Keywords: GRAM ; PARAFAC ; rank overlap ; second-order calibration ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: GRAM, a method for second-order calibration, has been introduced by Sanchez and Kowalski and later modified by Wilson, Sanchez and Kowalski. The methods are based on the claim that, in cases without measurement error they yield correct estimates for the concentration ratios and profiles of (rank-one) analytes present in sample and mixture. This claim has not been proven rigorously. In the present paper, rigorous proofs are given for situations where the claims are valid indeed. In addition, it is shown that PARAFAC, an alternative method for second-order calibration, can be used to obtain the same results. Next it is shown that the claims do not hold in cases with ‘rank overlap’ (partly overlapping profiles) and it is proven that a procedure by Wang et al. can still be used to assess some of the concentration ratios. A general framework is provided for a variety of second-order calibration problems and the extent to which quantitative and qualitative information can be expected is given.
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    Journal of Chemometrics 9 (1995), S. 223-225 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 232-236 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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  • 46
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    Keywords: multiway data ; standard addition method ; calibration ; matrix effects ; trilinear decomposition ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: Presented here is an algorithm for analysis of second order data by the method of standard additions. The method of standard additions is applicable when matrix effects make traditional calibration unreliable. The algorithm employs a generalized eigenproblem to mathematically separate the instrument response of the analyte from the instrument response of any interfering species. A scheme for determining the eigenvectors (and hence the concentration estimate) that uniquely correspond to the analyte of interest is given. These eigenvectors can readily be distinguished from any eigenvector that corresponds to the spectrum of the interferents or both the interferents and analyte. The stability of the estimated analyte concentration is verified by Monte Carlo simulations. The algorithm is applied to the analysis of trichloroethylene in samples that have matrix effects caused by an interaction with chloroform.
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    Journal of Chemometrics 9 (1995), S. 327-328 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 343-362 
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    Keywords: straight line calibration ; errors in both axes ; uncertainties ; linear regression ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: Calibration is a fundamental step in the calculation of the unknown concentration of analyte in most analytical methods. It is known that for certain methodologies, if only the errors in the independent variable are taken into account, there may be considerable errors in the estimation of the value of the regression coefficients, the derived statistical parameters and in some cases the sought for response and concentration values. This paper reviews the calibration methods including some references to procedures for the detection of outliers and robust regression when there are errors in both axes. The advantages and limitations of the different approaches are discussed and a comparative study is made of the approaches of several techniques for which computer programmes have been developed based on the algorithms put forward by the different authors. Finally, some trends of future development in this field are envisaged.
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    Journal of Chemometrics 9 (1995), S. 411-422 
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    Keywords: gasoline ; classification ; multiple regression ; non-correlated variables ; accuracy of measurements ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: A procedure for the classification of motor gasolines by their trend to carburettor icing has been proposed. For this goal a set of regression models was employed. Motor gasoline classification was carried out in terms of the isopropyl equivalent using seven physicochemical properties.
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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  • 51
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    Keywords: sequential response surface modelling ; Williamson ether synthesis ; SN2 ; optimization ; reaction kinetics ; reaction mechanism ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Notes: In this work the utility of a new method for determining kinetic parameters by sequential response surface modelling, previously described (Part 1), is shown by applying it to an experimental study of a reaction with known kinetics. The nucleophilic substitution reaction between ethoxide and benzyl chloride, the Williamson ether synthesis, was selected as a model reaction. This reaction is known to proceed with second-order kinetics. The method gives access to estimates of initial reaction rate which can be further used to obtain estimates of activation energy and reaction order of reactants. The results obtained are in good agreement with the estimated values of these parameters obtained with conventional kinetic experiments.
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    Journal of Chemometrics 9 (1995), S. 483-487 
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    Keywords: fractional factorial design ; multiresponse ; PLS ; PCA ; reduced-rank regression ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: This paper presents an interpretation of PLS applied to orthogonal explanatory variables. In particular, it is shown that in fractional factorial multiresponse experiments PLS2 gives identical results to ordinary least squares applied to principal components of the response variables. The general relationship is that the reduced-rank regression algorithm which first projects Y onto the X-space and then truncates this matrix by principal component analysis before performing ordinary least squares estimation gives the same predictor as PLS2 and SIMPLS if all the non-zero eigenvalues of XTX are identical.
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 531-531 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 283-308 
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    Keywords: simulated annealing ; threshold acceptance ; wavelength selection ; selectivity ; optimization ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: Simulated annealing (SA) is a stochastic search method that has been applied to combinatorial search problems in chemometrics. Unlike strict iterative improvement methods, SA tolerates temporary moves to detrimental parameter configurations during an optimization. The method used by SA to decide whether or not to accept detrimental steps is a special case of a more general acceptance rule. The present work investigates the performance of various SA-type algorithms that differ only in the acceptance rule for detrimental steps when optimizing continuous or discrete problems. A method for step width modulation is introduced to overcome the poor ability of SA type algorithms to locate the exact extreme of a function. The studied search strategies are modified for the discrete problem of wavelength selection. In order to evaluate SA-type algorithms and their abilities to deal with the wavelength selection problem, two global measures of selectivity are used as criteria to determine the most suitable wavelength subset that maximizes selectivity for pure component ultraviolet-visible spectra.
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    Journal of Chemometrics 9 (1995), S. 329-330 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 451-457 
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    Keywords: non-linear regression ; optimization ; robust methods ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: Several robust regression methods, including a new proposal, are described and their properties discussed. Resistance to various types of outliers and non-normality is demonstrated. The techniques are applied to non-linear regression models from chemical kinetics and calibration. Optimization of the types of objective functions encountered when applying robust regression is considered.
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    Journal of Chemometrics 9 (1995), S. 471-481 
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    Keywords: batch prediction ; continuum regression ; multivariate calibration ; sequential prediction ; simultaneous prediction ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: In analytical chemistry a single fitted calibration model is used repeatedly to predict the level of the analyte of interest for the specimens comprising the prediction set. Unlike the calibration (or training) set, which is often limited in size, the prediction set can be very large.In the case of multivariate calibration a number of methods such as PLS and PCR are commonly used to construct the calibration model. The set of instrumental measurements and the reference analyte level are available for each specimen in the calibration set. For specimens in the prediction set, only the instrumental measurements are available, since the problem is to predict the analyte level for these specimens. It is not widely recognized that predictions of the analyte levels for individual specimens can be improved by utilizing seemingly unrelated information from the instrumental measurements associated with the other members of the prediction set. In the case of PCR there exists a very straightforward procedure for doing this. A description of the various sources of prediction errors is provided to explain the ability of PCR to utilize this additional information. The use of PCR in this context is illustrated with both a synthetic and a real example.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 13-23 
    ISSN: 1069-8299
    Keywords: mass transport problems ; error estimation ; Engineering ; Engineering General
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    Topics: Mathematics , Technology
    Notes: In order to make an exact estimation of discretization error for finite/infinite element methods, it is necessary to develop analytical solutions for some transient mass transport problems in infinite media. These transient mass transport problems may be viewed as the benchmark problems for the discretization error estimation of a new numerical method so that they generally have the following characteristics: (1) their initial and boundary conditions can be exactly modelled by the finite/infinite element method; (2) their solutions can be rigorously expressed in a closed form. In this paper, several of the aforementioned problems have been constructed and solved mathematically for transient mass transport problems in both 1D and 2D infinite media.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 25-32 
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    Keywords: Riccati equation ; transmission line modelling ; Engineering ; Engineering General
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    Notes: In this communication, the application of the transmission line modelling (TLM) technique to the solution of the differential Riccati equation is described. A comparison is made between the TLM, fourth-order Runge-Kutta and the first-order Gear methods, for the case where one is applying the Kalman filter to the estimation of a voltage in a passive analogue circuit. In the particular example studied, the state equation is second-order. It is found that, when the system is underdamped, the fourth-order Runge-Kutta method has the best performance, followed by the TLM method. When the system is overdamped and stiff, the TLM method yields results that are closest to the analytical solution. Finally, a discussion is presented of the effects of errors in the TLM solution of the Riccati equation on the accuracy of the solution to the continuous Kalman filter estimation equation.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 49-58 
    ISSN: 1069-8299
    Keywords: gears ; fracture mechanics ; service life ; fatigue process ; Engineering ; Engineering General
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    Topics: Mathematics , Technology
    Notes: The paper describes the influence of contact area on the service life of dynamically loaded gears with a crack in a tooth root. Numerical results obtained with the finite element method using the program package BERSAFE are compared with the experimental results obtained on the universal testing machine INSTRON 1255. Numerical and experimental results are in good agreement. The analysis shows that the contact area directly influences the speed and direction of the crack propagation and the service life of the gear with a crack in a tooth root.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 41-47 
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    Keywords: shear correction ; laminates ; cylindrical bending hypothesis ; Engineering ; Engineering General
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    Notes: Mindlin-type plate and shell finite elements are the most widely used ones in the analysis of laminated composite structures. In the commercially available finite element programs, the transverse shear correction factors for these elements are usually the same as for structures made of isotropic materials. In the paper the shear correction factors are determined using energy principles for general laminates in cylindrical bending. Results for various materials and laminates are presented.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 59-68 
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    Keywords: RLW equation ; finite elements ; splines ; Engineering ; Engineering General
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    Notes: A B-spline finite element method is used to solve the regularized long wave equation numerically. This approach involves a Galerkin method with quadratic B-spline finite elements so that there is continuity of the dependent variable and its first derivative throughout the solution range. Time integration of the resulting system of ordinary differential equations is effected using a Crank-Nicolson approximation. Standard problems are used to validate the algorithm, which is then used to model the smooth development of an undular bore.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 69-72 
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    Keywords: finite element method ; thermoplasticity ; internal dissipation ; Engineering ; Engineering General
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    Notes: In the paper, a simple modification of the internal dissipation term in coupled thermoplastic finite element equations is presented. A modified form of the heat capacity and the thermomechanical coupling matrices are derived. These modifications are based on a decomposition of the internal dissipation term into two parts, which depend on the total strain rate and the rate of temperature change, respectively.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 91-92 
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    Keywords: Engineering ; Engineering General
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    Communications in Numerical Methods in Engineering 11 (1995), S. 93-94 
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    Communications in Numerical Methods in Engineering 11 (1995), S. 179-185 
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    Keywords: finite elements ; fluid flow ; open boundaries ; Sommerfield boundary conditions ; Engineering ; Engineering General
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    Notes: We examine a method to impose boundary conditions on arbitrary boundaries, introduced to make domains of infinite extent finite for the purpose of numerical calculations, when a finite element discretization based on linear, bilinear or trilinear elements is used, in one, two or three dimensions, respectively. In particular, we look at the so-called ‘free’ boundary condition, which consists in retaining the boundary integrals generated by the weighted-residuals formulation along the open boundaries and adding them to the stiffness matrix. We show that this procedure is exactly equivalent to imposing on the boundary nodes a Sommerfeld radiation condition in one dimension, and a slightly modified form of the Sommerfeld boundary condition in two and three dimensions. We also show that the procedure is not applicable to the purely elliptic case.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 189-190 
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    Keywords: Engineering ; Engineering General
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    Communications in Numerical Methods in Engineering 11 (1995), S. 187-188 
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    Keywords: Engineering ; Engineering General
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    Communications in Numerical Methods in Engineering 11 (1995), S. 191-198 
    ISSN: 1069-8299
    Keywords: triangulations ; mesh relaxation ; computational geometry ; planar mesh generation ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Recent advances in planar mesh generation of arbitrary domains incorporate methods for placing points as well as connecting them into a triangulation. Postprocessing techniques such as Laplacian smoothing and mesh relaxation enhance the shape of triangles in these meshes but do not address the construction of meshes near boundaries or provide a criterion to determine the number of interior points of the initial triangulation. The paper addresses these issues by investigating the construction of degree-6 triangulations, the primary goal of the mesh relaxation method.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 227-233 
    ISSN: 1069-8299
    Keywords: finite element analysis ; distributed computing ; structures ; client-server model ; remote procedure calls ; structural mechanics ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper presents a distributed computing approach for concurrent finite element analysis of truss structures. The client-server model of distributed computation is applied to the plane frame finite element algorithm and implemented on SUN workstations. The remote procedure call combined with the ability to create threads of computation allows one to efficiently implement distributed and concurrent programs. The present approach is demonstrated through a typical truss structure to illustrate the details of the implementation. This approach can be used for very large finite element systems.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 199-211 
    ISSN: 1069-8299
    Keywords: SUPG ; Petrov-Galerkin methods ; finite elements ; explicit scheme ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This work is devoted to the simulation by finite elements of nearly incompressible inviscid flows in real 3D geometries, by means of an Euler code based on the SUPG (streamline upwind Petrov-Galerkin) method, explicit forward Euler pseudo-temporal time integration and periodic and absorbing boundary conditions, among other features. The main goal is the application to flow around turbomachinery, with special emphasis on the performance analysis of a given machine, that involves several numerical computations at different operation points. Finally, these results are summarized in the form of characteristic curves.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 213-226 
    ISSN: 1069-8299
    Keywords: a posteriori error estimates ; asymptotic exactness ; finite elements ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A posteriori error estimation for typical Euler-Bernoulli beam bending problems is developed using a recovery operator based on a smoothing technique that is applied in the context of one-dimensional fourth-order problems. The development exploits a discrete superconvergence property of the ‘bending moments’ of the trial space interpolant of a polynomial solution of sufficiently low degree at certain Gauss points, and the superconvegence property of the energy norm difference of the trial space interpolant (of the weak solution) and the finite element approximation. An asymptotically exact error estimator is developed.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 243-254 
    ISSN: 1069-8299
    Keywords: fracture ; boundary elements ; superposition ; stress intensity factor ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: We discuss a two-step superposition method for calculating linear elastic stress intensity factors. The procedure requires the solution to the full cracked problem and the solution to a problem on the same mesh assuming the singularity due to a crack tip in an infinite region. We show that this is equivalent to the well known subtraction of singularity method if the two solutions are characterized by crack tip stress. The advantages of our procedure are that no modifications need to be made to a standard computer program and that once one singular solution is available on a given cracked mesh, solutions with different boundary conditions on the same mesh may be obtained in one step without including any singular crack effects. The mesh required to represent the singular crack tip field may also be studied independently of the complete problem. The additional computational cost of a two-step procedure is minimal since the solution matrix from step one may be reused with a new right-hand side. Numerical experiments using the boundary element method demonstrate the high accuracy and simplicity of the superposition approach.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 235-242 
    ISSN: 1069-8299
    Keywords: upwinding ; iterative methods ; convection-diffusion ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The effect of upwinding on iterative performance of convection-diffusion problems is investigated. An analysis of the iterative method considered here leads to a criterion for selecting the optimal upwinding parameter to improve iterative performance for a class of two-dimensional convection-diffusion problems. Supporting numerical experiments are presented.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 267-279 
    ISSN: 1069-8299
    Keywords: dynamic interaction ; rigid wheel ; flexible beam ; contact force ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A numerical method is presented for the analysis of dynamic interaction between rigid wheel and flexible beam. In contrast to traditional approaches, the wheel nominal motion as well as the contact force are considered here as unknowns. The correct contact force between the wheel and the beam is computed by iteratively reducing the constraint error towards zero, and a simple time integration is employed for the solution of equations of motion. Convergence of the iterative scheme is analysed, and numerical simulations are conducted to demonstrate the accuracy of the solution.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 255-265 
    ISSN: 1069-8299
    Keywords: boundary element method ; error estimation ; hp-version ; Galerkin BEM ; numerical results ; elasticity ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper investigates the convergence of the h-, p- and hp-versions of a variational symmetric boundary element method (BEM) in plane elasticity by numerical experiments. The study discusses mixed boundary value problems on polygonal domains, i.e. problems for which the exact solution is analytic except in a finite number of points. The convergence of the error in energy norm is displayed for all versions of the BEM. All results are also compared with those obtained by the corresponding finite element methods. The theoretically predicted asymptotic convergence rates for all versions of the method can be observed in the numerical experiments. A comparison of computer times is given as well.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 281-282 
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    Keywords: Engineering ; Engineering General
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    Communications in Numerical Methods in Engineering 11 (1995), S. 283-284 
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    Keywords: Engineering ; Engineering General
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    Communications in Numerical Methods in Engineering 11 (1995), S. 285-286 
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    Keywords: Engineering ; Engineering General
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    Communications in Numerical Methods in Engineering 11 (1995), S. 287-296 
    ISSN: 1069-8299
    Keywords: eigenvalues ; integral transforms ; analytical methods ; convection ; Sturm-Liouville system ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The integral transform method is employed in the analytical solution of the non-classical eigenvalue problem that appears in connection with the analysis of forced convection in ducts, including the effect of fluid heat diffusion in the axial direction. The related eigenfunctions are expanded in terms of eigenfunctions from a simpler auxiliary eigenvalue problem, and the original eigenvalues are determined from the associated matrix eigensystem analysis. Convergence rates of the proposed solutions are illustrated and reference results established for different values of the governing parameters.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 355-362 
    ISSN: 1069-8299
    Keywords: permanent heavy waves ; circular shaped channels ; conformal mapping ; Fatou's method ; Levi-Civita's decomposition ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Because of the earth's curvature, all existing channels have a curvature. E. Zeidler gave an existence and uniqueness proof for permanent heavy and capillar-heavy waves in such circular shaped channels. Based on this proof and on a general computational method for constructing the solutions numerically, the case of permanent heavy waves in circular-shaped channels is considered in this work.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 373-374 
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    Keywords: Engineering ; Engineering General
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    Communications in Numerical Methods in Engineering 11 (1995), S. 375-377 
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    Keywords: Engineering ; Engineering General
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    Communications in Numerical Methods in Engineering 11 (1995), S. 379-381 
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    Keywords: Engineering ; Engineering General
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    Communications in Numerical Methods in Engineering 11 (1995), S. 363-371 
    ISSN: 1069-8299
    Keywords: matrix multisplitting ; relaxed method ; convergence ; divergence ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In this paper, I discuss the convergence and divergence rates for a class of generalized matrix multisplitting relaxation methods in a detailed manner. In particular, when the coefficient matrix is an L-matrix, I obtain several sufficient and necessary conditions ensuring the convergence of these methods.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 383-390 
    ISSN: 1069-8299
    Keywords: finite elements analyses ; global and local analyses ; multiregion ; interfaces ; interpolation functions ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An independent refinement and integration procedure is developed to couple together independently modelled (global and local) regions in a single analysis. The finite element models can have different levels of refinement and the nodes along the interface between them need not coincide with one another. A spline interpolation function that satisfies the linear isotropic plate-bending differential equation is used to relate the local model interface nodal displacements to the global model interface displacements. The proposed independent refinement and integration procedure is validated by applying it to problems involving in-plane and out-of-plane deformations.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 391-401 
    ISSN: 1069-8299
    Keywords: boundary element method ; two-dimensional potential problems ; logarithmic kernel ; derivative kernal ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Both the logarithmic and derivative kernel integrations for potential problems, solved with quadratic isoparametric boundary elements, contain quartic functions of the integration parameter. It is shown that such functions can be written as the product of two quadratic functions with real coefficients. The derivative kernel integration is then represented as the sum of two integrals, which can be evaluated analytically. The logarithmic kernel integration can be similarly split but needs a Taylor series expansion of the Jacobian of the integration to enable analytical integration. The use of this Taylor series expansion means that the method presented is limited to problems involving weakly curved elements.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 403-407 
    ISSN: 1069-8299
    Keywords: finite element method ; residual bending flexibility ; convergence ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In this paper I re-examine the mechanics of the residual bending flexibility correction and show that it is an extravariational trick.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 417-426 
    ISSN: 1069-8299
    Keywords: discrete elements ; dynamic analysis ; impact ; impulsive loads ; elastoplastic response ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The determination of the dynamic response of plate and shell structures is carried out employing a discrete representation of the continuum, associated with an explicit integration scheme in the time domain. Comparisons with experimental results certify the accuracy and reliability of the proposed method.
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    Communications in Numerical Methods in Engineering 11 (1995), S. 547-548 
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    Keywords: Engineering ; Engineering General
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    Communications in Numerical Methods in Engineering 11 (1995), S. 563-573 
    ISSN: 1069-8299
    Keywords: constraints ; boundary conditions ; rigid inclusions ; inextensibility ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Constraints arise naturally in the context of rigid inclusions, incompressibility, inextensible fibres and deformed finite elements. Typical methods for handling constraints in the governing matrix equation include Lagrange multipliers, penalty weights and elimination of variables. Each procedure has a particular undesirable feature. Proposed here is an approach in which each constraint is handled directly and sequentially through a modification of the rows and columns of the governing matrix and force vector. Positive definiteness, symmetry and the dimensions of the matrix remain unchanged. Elementary examples involving both the static and dynamic response of a bar are given to illustrate the procedure.
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