Elimination of uninformative variables for multivariate calibration.

نویسندگان

  • V Centner
  • D L Massart
  • O E de Noord
  • S de Jong
  • B M Vandeginste
  • C Sterna
چکیده

A new method for the elimination of uninformative variables in multivariate data sets is proposed. To achieve this, artificial (noise) variables are added and a closed form of the PLS or PCR model is obtained for the data set containing the experimental and the artificial variables. The experimental variables that do not have more importance than the artificial variables, as judged from a criterion based on the b coefficients, are eliminated. The performance of the method is evaluated on simulated data. Practical aspects are discussed on experimentally obtained near-IR data sets. It is concluded that the elimination of uninformative variables can improve predictive ability.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

A strategy that iteratively retains informative variables for selecting optimal variable subset in multivariate calibration.

Nowadays, with a high dimensionality of dataset, it faces a great challenge in the creation of effective methods which can select an optimal variables subset. In this study, a strategy that considers the possible interaction effect among variables through random combinations was proposed, called iteratively retaining informative variables (IRIV). Moreover, the variables are classified into four...

متن کامل

Elimination of the uninformative calibration sample subset in the modified UVE(Uninformative Variable Elimination)-PLS (Partial Least Squares) method.

In order to increase the predictive ability of the PLS (Partial Least Squares) model, we have developed a new algorithm, by which uninformative samples which cannot contribute to the model very much are eliminated from a calibration data set. In the proposed algorithm, uninformative wavelength (or independent) variables are eliminated at the first stage by using the modified UVE (Uninformative ...

متن کامل

A variable selection method based on uninformative variable elimination for multivariate calibration of near-infrared spectra

Variable (or wavelength) selection plays an important role in the quantitative analysis of near-infrared (NIR) spectra. A modified method of uninformative variable elimination (UVE) was proposed for variable selection in NIR spectral modeling based on the principle of Monte Carlo (MC) and UVE. The method builds a large number of models with randomly selected calibration samples at first, and th...

متن کامل

Uninformative Biological Variability Elimination in Apple Soluble Solids Content Inspection by Using Fourier Transform Near-Infrared Spectroscopy Combined with Multivariate Analysis and Wavelength Selection Algorithm

Uninformative biological variability elimination methods were studied in the near-infrared calibration model for predicting the soluble solids content of apples. Four different preprocessing methods, namely, Savitzky-Golay smoothing, multiplicative scatter correction, standard normal variate, and mean normalization, as well as their combinations were conducted on raw Fourier transform near-infr...

متن کامل

Variable reduction algorithm for atomic emission spectra: application to multivariate calibration and quantitative analysis of industrial samples

A variable selection procedure has been developed and used to reduce the number of wavelength data points necessary to formulate a predictive multivariate model for Pt, Pd and Rh using full atomic emission spectra (5684 wavelength data points per spectrum) obtained using a Segmented-Array Charge-Coupled Device Detector (SCCD) for inductively coupled plasma atomic emission spectrometry (ICP-AES)...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Analytical chemistry

دوره 68 21  شماره 

صفحات  -

تاریخ انتشار 1996