• Title/Summary/Keyword: SIMCA

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Nondestructive Internal Defects Evaluation for Pear Using NIR/VIS Transmittance Spectroscopy

  • Ryu, D.S.;Noh, S.H.;Hwnag, H.
    • Agricultural and Biosystems Engineering
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    • v.4 no.1
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    • pp.1-7
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    • 2003
  • Internal defects such as browning of the flesh and blackening and rot of the ovary of pear can be easily developed because of the inadequate environmental conditions during the storage and distribution of fruit. The quality assurance system for the agricultural product is to be settled in Korea. All defected agricultural products should be excluded prior to the distribution to enhance the commercial values. However, early stage on-line defect detection of agricultural product is very difficult and even more difficult in a case of the internal defects. The goal of this research is to develop a system that can detect and classify internal defects of agricultural produce on-line using VIS/NIR transmittance spectroscopy. And Shingo pear, which is one of the famous species of Korean pear, was used for the experiment. Soft independence modeling of class analogy (SIMCA) algorithm was employed to analyze the transmittance spectroscopic data qualitatively. On-line classification system was constructed and classification model was developed and validated. As a result, the correct classification rate (CCR) using the developed classification model was 96.1 %.

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Classification of Korean Ancient Glass Pieces by Pattern Recognition Method (패턴인지법에 의한 한국산 고대 유리제품의 분류)

  • Lee Chul;Czae Myung-Zoon;Kim Seungwon;Kang Hyung Tae;Lee Jong Du
    • Journal of the Korean Chemical Society
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    • v.36 no.1
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    • pp.113-124
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    • 1992
  • The pattern recognition methods of chemometrics have been applied to multivariate data, for which ninety four Korean ancient glass pieces have been determined for 12 elements by neutron activation analysis. For the purpose, principal component analysis and non-linear mapping have been used as the unsupervised learning methods. As the result, the glass samples have been classified into 6 classes. The SIMCA (statistical isolinear multiple component analysis), adopted as a supervised learning method, has been applied to the 6 training set and the test set. The results of the 6 training set were in accord with the results by principal component analysis and non-linear mapping. For test set, 17 of 33 samples were each allocated to one of the 6 training set.

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Characterization of Korean Archaeological Artifacts by Neutron Activation Analysis (I). Multivariate Classification of Korean Ancient Coins. (중성자 방사화분석에 의한 한국산 고고학적 유물의 특성화 연구 (I). 다변량 해석법에 의한 고전 (古錢) 의 분류 연구)

  • Chul Lee;Oh Cheun Kwun;Hyung Tae Kang;Ihn Chong Lee;Nak Bae Kim
    • Journal of the Korean Chemical Society
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    • v.31 no.6
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    • pp.555-566
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    • 1987
  • Fifty ancient Korean coins originated in Yi Dynasty have been determined for 9 elements such as Sn, Fe, As, Ag, Co, Sb, Ir, Ru and Ni by instrumental neutron activation analysis and for 3 elements such as Cu, Pb, and Zn by atomic absorption spectrometry. Bronze coins originated in early days of the dynasty contain as major constituents Cu, Pb and Sn approximately in the ratio 90 : 4 : 3, whereas, those in latter days contain in ratio 7 : 2 : 0. Brass coins which had begun in 17 century contain as major constituents Cu, Zn and Pb approximately in the ratio 7 : 1 : 1. The multivariate data have been analyzed for the relation among elemental contents through the variance-covariance matrix. The data have been further analyzed by a principal component mapping method. As the results training set of 8 class have been chosen, based on the spread of sample points in an eigen vector plot and archaeological data such as age and the office of minting. The training set and test set of samples have finally been analyzed for the assignment to certain classes or outliers through the statistical isolinear multiple component analysis (SIMCA).

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A Multivariate Analytical Study on the Water of Han-River and the Streams flowing into Han-River Basin

  • Lee Chul;Kim Seungwon;Kim Min-Young
    • Bulletin of the Korean Chemical Society
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    • v.9 no.1
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    • pp.5-9
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    • 1988
  • Pattern recognition techniques have been applied for the extraction of some regularities of water samples under a wide variety of locations related to Han-River. For that purpose, an eigenvector analysis has been applied for defining each class so as to use the class as a training set for class analogy model of SIMCA. The models thus obtained have been used for the allocation of test samples between groups.

IDENTIFICATION OF FALSIFIED DRUGS USING NEAR-INFRARED SPECTROSCOPY

  • Scafi, Sergio H.F.;Pasquini, Celio
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.3112-3112
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    • 2001
  • Near-Infrared Spectroscopy (NIRS) was investigated aiming at the identification of falsified drugs. The identification is based on comparison of the NIR spectrum of a sample with a typical spectra of an authentic drug using multivariate modelling and classification algorithms (PCA/SIMCA). Two spectrophotometers (Brimrose - Luminar 2000 and 2030), based on acoustic-optical filter (AOTF) technology, sharing the same controlling computer, software (Brimrose - Snap 2.03) and the data acquisition electronics, were employed. The Luminar 2000 scans the range 850 1800 nm and was employed for transmitance/absorbance measurements of liquids with a transflectance optical bundle probe with total optical path of 5 mm and a circular area of 0.5 $\textrm{cm}^2$. Model 2030 scans the rage 1100 2400 nm and was employed for reflectance measurement of solids drugs. 300 spectra, acquired in about 20 s, were averaged for each sample. Chemometric treatment of the spectral data, modelling and classification were performed by using the Unscrambler 7.5 software (CAMO Norway). This package provides the Principal Component Analysis (PCA) and SIMCA algorithms, used for modelling and classification, respectively. Initially, NIRS was evaluated for spectrum acquisition of various drugs, selected in order to accomplish the diversity of physico-chemical characteristics found among commercial products. Parameters which could affect the spectra of a given drug (especially if presented as solid tablets) were investigated and the results showed that the first derivative can minimize spectral changes associated with tablet geometry, physical differences in their faces and position in relation to the probe beam. The effect of ambient humidity and temperature were also investigated. The first factor needs to be controlled for model construction because the ambient humidity can cause spectral alterations that should cause the wrong classification of a real drug if the factor is not considered by the model.

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Forensic Classification of Latent Fingerprints Applying Laser-induced Plasma Spectroscopy Combined with Chemometric Methods (케모메트릭 방법과 결합된 레이저 유도 플라즈마 분광법을 적용한 유류 지문의 법의학적 분류 연구)

  • Yang, Jun-Ho;Yoh, Jai-Ick
    • Korean Journal of Optics and Photonics
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    • v.31 no.3
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    • pp.125-133
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    • 2020
  • An innovative method for separating overlapping latent fingerprints, using laser-induced plasma spectroscopy (LIPS) combined with multivariate analysis, is reported in the current study. LIPS provides the capabilities of real-time analysis and high-speed scanning, as well as data regarding the chemical components of overlapping fingerprints. These spectra provide valuable chemical information for the forensic classification and reconstruction of overlapping latent fingerprints, by applying appropriate multivariate analysis. This study utilizes principal-component analysis (PCA) and partial-least-squares (PLS) techniques for the basis classification of four types of fingerprints from the LIPS spectra. The proposed method is successfully demonstrated through a classification example of four distinct latent fingerprints, using discrimination such as soft independent modeling of class analogy (SIMCA) and partial-least-squares discriminant analysis (PLS-DA). This demonstration develops an accuracy of more than 85% and is proven to be sufficiently robust. In addition, by laser-scanning analysis at a spatial interval of 125 ㎛, the overlapping fingerprints were separated as two-dimensional forms.

Chicken Disease Characterization by Fluorescence Spectroscopy

  • Kang S.;Kim M. S.;Kim I.
    • Agricultural and Biosystems Engineering
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    • v.5 no.1
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    • pp.25-29
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    • 2004
  • Fluorescence spectroscopy was used to characterize chicken carcass diseases. Spectral signatures of three different disease categories of poultry carcasses (airsacculitis, cadaver and septicemia) were obtained from fluorescence emission measurements in the wavelength range of 360 to 600 nm with 330 nm excitation. Principal Component Analysis (PCA) was used to select the most significant wavelengths for the classification of poultry carcasses. These wavelengths were analyzed for pathologic correlation of poultry diseases. Using a Soft Independent Modeling of Class Analogy (SIMCA) of principal components with a Mahalanobis distance metric, poultry carcasses were individually classified into different classes with $97.9\%$ accuracy.

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A Classification of Obsidian Artifacts by Applying Pattern Recognition to Trace Element Data

  • Lee, Chul;Czae, Myung-Zoon;Kim, Seung-Won;Kang, Hyung-Tae;Lee, Jong-Du
    • Bulletin of the Korean Chemical Society
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    • v.11 no.5
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    • pp.450-455
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    • 1990
  • Fifty eight obsidian artifacts and four obsidian source samples have been analyzed by instrumental neutron activation analysis. Artifact samples have been classified into classes by unsupervised learning techniques such as eigenvector projection and nonlinear mapping. The source samples have thereafter been connected to the classes by the supervised learning techniques such as SLDA and SIMCA so as to characterize each class by possible source sites. Some difference attributable to different nonlinear mapping techniques and the elemental effects on the separation between classes have been discussed.

Principal Discriminant Variate (PDV) Method for Classification of Multicollinear Data: Application to Diagnosis of Mastitic Cows Using Near-Infrared Spectra of Plasma Samples

  • Jiang, Jian-Hui;Tsenkova, Roumiana;Yu, Ru-Qin;Ozaki, Yukihiro
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1244-1244
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    • 2001
  • In linear discriminant analysis there are two important properties concerning the effectiveness of discriminant function modeling. The first is the separability of the discriminant function for different classes. The separability reaches its optimum by maximizing the ratio of between-class to within-class variance. The second is the stability of the discriminant function against noises present in the measurement variables. One can optimize the stability by exploring the discriminant variates in a principal variation subspace, i. e., the directions that account for a majority of the total variation of the data. An unstable discriminant function will exhibit inflated variance in the prediction of future unclassified objects, exposed to a significantly increased risk of erroneous prediction. Therefore, an ideal discriminant function should not only separate different classes with a minimum misclassification rate for the training set, but also possess a good stability such that the prediction variance for unclassified objects can be as small as possible. In other words, an optimal classifier should find a balance between the separability and the stability. This is of special significance for multivariate spectroscopy-based classification where multicollinearity always leads to discriminant directions located in low-spread subspaces. A new regularized discriminant analysis technique, the principal discriminant variate (PDV) method, has been developed for handling effectively multicollinear data commonly encountered in multivariate spectroscopy-based classification. The motivation behind this method is to seek a sequence of discriminant directions that not only optimize the separability between different classes, but also account for a maximized variation present in the data. Three different formulations for the PDV methods are suggested, and an effective computing procedure is proposed for a PDV method. Near-infrared (NIR) spectra of blood plasma samples from mastitic and healthy cows have been used to evaluate the behavior of the PDV method in comparison with principal component analysis (PCA), discriminant partial least squares (DPLS), soft independent modeling of class analogies (SIMCA) and Fisher linear discriminant analysis (FLDA). Results obtained demonstrate that the PDV method exhibits improved stability in prediction without significant loss of separability. The NIR spectra of blood plasma samples from mastitic and healthy cows are clearly discriminated between by the PDV method. Moreover, the proposed method provides superior performance to PCA, DPLS, SIMCA and FLDA, indicating that PDV is a promising tool in discriminant analysis of spectra-characterized samples with only small compositional difference, thereby providing a useful means for spectroscopy-based clinic applications.

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PRINCIPAL DISCRIMINANT VARIATE (PDV) METHOD FOR CLASSIFICATION OF MULTICOLLINEAR DATA WITH APPLICATION TO NEAR-INFRARED SPECTRA OF COW PLASMA SAMPLES

  • Jiang, Jian-Hui;Yuqing Wu;Yu, Ru-Qin;Yukihiro Ozaki
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1042-1042
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    • 2001
  • In linear discriminant analysis there are two important properties concerning the effectiveness of discriminant function modeling. The first is the separability of the discriminant function for different classes. The separability reaches its optimum by maximizing the ratio of between-class to within-class variance. The second is the stability of the discriminant function against noises present in the measurement variables. One can optimize the stability by exploring the discriminant variates in a principal variation subspace, i. e., the directions that account for a majority of the total variation of the data. An unstable discriminant function will exhibit inflated variance in the prediction of future unclassified objects, exposed to a significantly increased risk of erroneous prediction. Therefore, an ideal discriminant function should not only separate different classes with a minimum misclassification rate for the training set, but also possess a good stability such that the prediction variance for unclassified objects can be as small as possible. In other words, an optimal classifier should find a balance between the separability and the stability. This is of special significance for multivariate spectroscopy-based classification where multicollinearity always leads to discriminant directions located in low-spread subspaces. A new regularized discriminant analysis technique, the principal discriminant variate (PDV) method, has been developed for handling effectively multicollinear data commonly encountered in multivariate spectroscopy-based classification. The motivation behind this method is to seek a sequence of discriminant directions that not only optimize the separability between different classes, but also account for a maximized variation present in the data. Three different formulations for the PDV methods are suggested, and an effective computing procedure is proposed for a PDV method. Near-infrared (NIR) spectra of blood plasma samples from daily monitoring of two Japanese cows have been used to evaluate the behavior of the PDV method in comparison with principal component analysis (PCA), discriminant partial least squares (DPLS), soft independent modeling of class analogies (SIMCA) and Fisher linear discriminant analysis (FLDA). Results obtained demonstrate that the PDV method exhibits improved stability in prediction without significant loss of separability. The NIR spectra of blood plasma samples from two cows are clearly discriminated between by the PDV method. Moreover, the proposed method provides superior performance to PCA, DPLS, SIMCA md FLDA, indicating that PDV is a promising tool in discriminant analysis of spectra-characterized samples with only small compositional difference.

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