Search results for "Mean squared error"
showing 10 items of 145 documents
Origin based classification of crude oils by infrared spectrometry and chemometrics
2019
Abstract Crude oil samples from different Iranian petrol resources in both, raw and mixture forms have been characterized by attenuated total reflectance mid infrared spectroscopy. Obtained spectra were classified by chemometric techniques to propose a method for geological based classification of crude oil samples. Totally 251 samples from 7 petrol fields and 3 mixtures were analyzed. Mean centering and principal component analysis (PCA) supported – leverage value based outlier detection were used as preprocessing approaches. PCA, cluster analysis and soft independent modeling of class analogy (SIMCA) were utilized to classify the spectra. Obtained results confirmed that SIMCA is a robust …
Comparison of Metrics for the Classification of Soils Under Variable Geometrical Conditions Using Hyperspectral Data
2008
International audience; The objective of this letter is to find a distance metric between reflectance spectra that is not sensitive to the variations on the soil reflectance induced by the geometry of solar-view angles. This is motivated by the fact that differences between spectra measured for the same soil under different observation and illumination configurations can lead to misclassifications. Using 26 soils of different compositions simulated with Hapke’s model and 92 soils of different compositions measured under 28 solarview angle geometries in laboratory conditions, we tested three metrics, namely, root-mean-square error, spectral angle mapper, and R2 (the coefficient of determinat…
Comparison of metrics to remove the influence of geometrical conditions on soil reflectance
2007
The objective of this work is to find the best metric to ignore the variations of soil reflectance induced by the solar-view angles geometry. Differences between spectra measured for the same soil under different observation and illumination configurations can leads to misclassifications. Using ninety two soils of different composition measured under twenty eight solar- view angles geometries, we tested 3 metrics : RMSE, SAM, R2 (the coefficient of determination) and we compared their performances. The best metric seems to be the coefficient of determination with 93 % of good classifications.
Perceptual similarity between color images using fuzzy metrics
2016
A method to measure the similarity between color images is proposed.Correlation among the color image channels is taken into account.Proposed similarity measure is based on fuzzy metrics because of their advantages.The proposal matches well with the perceptual visual similarity between color images. In many applications of the computer vision field measuring the similarity between (color) images is of paramount importance. However, the commonly used pixelwise similarity measures such as Mean Absolute Error, Peak Signal to Noise Ratio, Mean Squared Error or Normalized Color Difference do not match well with perceptual similarity. Recently, it has been proposed a method for gray-scale image s…
Derivation of high-resolution leaf area index maps in support of validation activities: Application to the cropland Barrax site
2009
The validation of coarse satellite-derived products from field measurements generally relies on up-scaling the field data to the corresponding satellite products. This question is commonly addressed through the generation of a reference high-resolution map of an area covering several moderate resolution pixels. This paper describes a method by which reference leaf area index (LAI) maps can be generated from ground-truth LAI measurements. The method is based on a multivariate ordinary least squares (OLS) algorithm which uses an iteratively re-weighted least squares (IRLS) algorithm. It provides an empirical relationship (i.e. a transfer function) between in situ measurements and concomitant …
Modelling of Adequate Costs of Utilities Services
2016
The paper propose methodology for benchmark modelling of adequate costs of utilities services, which is based on the data analysis of the factual cases (key performance indicators of utilities as the predictors). The proposed methodology was tested by modelling of Latvian water utilities with three tools: (1) a classical version of the multi-layer perceptron with error back-propagation training algorithm was sharpened up with task-specific monotony tests, (2) the fitting of the generalized additive model using the programming language R ensured the opportunity to evaluate the statistical significance and confidence bands of predictors, (3) the sequential iterative nonlinear regression proce…
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory
2006
To reduce remaining basis-set errors in the determination of molecular equilibrium geometries, a basis-set extrapolation (BSE) scheme is suggested for the forces used in geometry optimizations. The proposed BSE scheme is based on separating the Hartree-Fock and electron-correlation contributions and uses expressions obtained by straightforward differentiation of well established extrapolation formulas for energies when using basis sets from Dunning's hierarchy of correlation-consistent basis sets. Comparison with reference data obtained at the R12 coupled-cluster level [CCSD(T)-R12] demonstrates that BSE significantly accelerates the convergence to the basis-set limit, thus leading to impro…
Molecular equilibrium geometries based on coupled-cluster calculations including quadruple excitations
2005
Using analytic gradient techniques and an additivity scheme for the various electron correlation contributions, i.e. core-correlation, contribution due to full treatment of triple excitations and contributions due to quadruple excitations calculated with different basis sets, the accuracy of computed geometrical parameters are analysed in comparison with experiment. For a test set of 12 closed-shell and 5 open-shell molecules, it is found that inclusion of quadruple excitations is essential to reach agreement with experiment. The mean error of 0.002 pm and the standard deviation of 0.040 pm of the present CCSD(T)/cc-pV6Z + core(CCSD(T)/cc-pCVQZ) + T/cc-pVTZ + Q/cc-pVDZ results for the close…
What is the best fitting function? Evaluation of lactate curves with common methods from the literature
2015
Using the lactate threshold for training prescription is the gold-standard, although there are several open questions. One open question is: What is the best fitting method for the load-lactate data points? This investigation re-analyses over 3500 lactate diagnostic datasets in swimming. Our evaluation software examines six different fitting methods with two different minimization criteria (RMSE and SE). Optimization of parameters of the functions is put in excecution with gradient descent. From a mathematical point of view, the double phase model, which consists of two linear regression lines, shows the least errors (RMSE min 0.254 ± 0.172; SE min 0.311 ± 0.210). However, this method canno…
Selection of calibration set samples in determination of olive oil acidity by partial least squares–attenuated total reflectance–Fourier transform in…
2003
Abstract A chemometric method has been applied for the determination of the free fatty acid (FFA) concentration in commercial olive oil samples of different types an origins by using Fourier transform infrared spectroscopy (FTIR) attenuated total reflectance (ATR) measurements. Different methods for selecting the training set, including hierarchical cluster analysis, were applied and compared. The prediction capabilities of partial least squares (PLS) multivariate calibration methods, net analyte signal (NAS) preprocessing followed by PLS or classical least squares (CLS) regression method of ATR–FTIR data were evaluated. Several aspects, like spectral range to be considered, different prepr…