The UV absorption spectra of o-naphthol,α-naphthylamine,2,7-dihydroxy naphthalene,2,4-dimethoxy ben- zaldehyde and methyl salicylate,overlap severely;therefore it is impossible to determine them in mixtures by tradit...The UV absorption spectra of o-naphthol,α-naphthylamine,2,7-dihydroxy naphthalene,2,4-dimethoxy ben- zaldehyde and methyl salicylate,overlap severely;therefore it is impossible to determine them in mixtures by traditional spectrophotometric methods.In this paper,the partial least-squares(PLS)regression is applied to the simultaneous determination of these compounds in mixtures by UV spectrophtometry without any pretreatment of the samples.Ten synthetic mixture samples are analyzed by the proposed method.The mean recoveries are 99.4%,996%,100.2%,99.3% and 99.1%,and the relative standard deviations(RSD) are 1.87%,1.98%,1.94%,0.960% and 0.672%,respectively.展开更多
Breast cancer is one of the malignant tumors having high incidence in women,the incidence of breast cancer has increased in all parts of the world since twentieth century,but its etiology is not yet completely clear,s...Breast cancer is one of the malignant tumors having high incidence in women,the incidence of breast cancer has increased in all parts of the world since twentieth century,but its etiology is not yet completely clear,so it is very important to detect breast cells.In this paper,we built a regression model to detect breast cells,and generated a method for predicting the formation of benign and malignant breast cells by training the model,then we used the 10 features of breast cells to predict it,the results reaching upto 93.67%accuracy,it was very effective to predict and analyse whether the breast cells getting cancer,It had an important role in the diagnosis and prevention of breast cancer.展开更多
Detecting plant health conditions plays a key role in farm pest management and crop protection. In this study, measurement of hyperspectral leaf reflectance in rice crop (Oryzasativa L.) was conducted on groups of hea...Detecting plant health conditions plays a key role in farm pest management and crop protection. In this study, measurement of hyperspectral leaf reflectance in rice crop (Oryzasativa L.) was conducted on groups of healthy and infected leaves by the fungus Bipolaris oryzae (Helminthosporium oryzae Breda. de Hann) through the wavelength range from 350 to 2 500 nm. The percentage of leaf surface lesions was estimated and defined as the disease severity. Statistical methods like multiple stepwise regression, principal component analysis and partial least-square regression were utilized to calculate and estimate the disease severity of rice brown spot at the leaf level. Our results revealed that multiple stepwise linear regressions could efficiently estimate disease severity with three wavebands in seven steps. The root mean square errors (RMSEs) for training (n=210) and testing (n=53) dataset were 6.5% and 5.8%, respectively. Principal component analysis showed that the first principal component could explain approximately 80% of the variance of the original hyperspectral reflectance. The regression model with the first two principal components predicted a disease severity with RMSEs of 16.3% and 13.9% for the training and testing dataset, respec-tively. Partial least-square regression with seven extracted factors could most effectively predict disease severity compared with other statistical methods with RMSEs of 4.1% and 2.0% for the training and testing dataset, respectively. Our research demon-strates that it is feasible to estimate the disease severity of rice brown spot using hyperspectral reflectance data at the leaf level.展开更多
Near infrared reflectance spectroscopy (NIRS), a non-destructive measurement technique, was combined with partial least squares regression discrimiant analysis (PLS-DA) to discriminate the transgenic (TCTP and mi...Near infrared reflectance spectroscopy (NIRS), a non-destructive measurement technique, was combined with partial least squares regression discrimiant analysis (PLS-DA) to discriminate the transgenic (TCTP and mi166) and wild type (Zhonghua 11) rice. Furthermore, rice lines transformed with protein gene (OsTCTP) and regulation gene (Osmi166) were also discriminated by the NIRS method. The performances of PLS-DA in spectral ranges of 4 000-8 000 cm-1 and 4 000-10 000 cm-1 were compared to obtain the optimal spectral range. As a result, the transgenic and wild type rice were distinguished from each other in the range of 4 000-10 000 cm-1, and the correct classification rate was 100.0% in the validation test. The transgenic rice TCTP and mi166 were also distinguished from each other in the range of 4 000-10 000 cm-1, and the correct classification rate was also 100.0%. In conclusion, NIRS combined with PLS-DA can be used for the discrimination of transgenic rice.展开更多
Estimating wheat grain protein content by remote sensing is important for assessing wheat quality at maturity and making grains harvest and purchase policies. However, spatial variability of soil condition, temperatur...Estimating wheat grain protein content by remote sensing is important for assessing wheat quality at maturity and making grains harvest and purchase policies. However, spatial variability of soil condition, temperature, and precipitation will affect grain protein contents and these factors usually cannot be monitored accurately by remote sensing data from single image. In this research, the relationships between wheat protein content at maturity and wheat agronomic parameters at different growing stages were analyzed and multi-temporal images of Landsat TM were used to estimate grain protein content by partial least squares regression. Experiment data were acquired in the suburb of Beijing during a 2-yr experiment in the period from 2003 to 2004. Determination coefficient, average deviation of self-modeling, and deviation of cross- validation were employed to assess the estimation accuracy of wheat grain protein content. Their values were 0.88, 1.30%, 3.81% and 0.72, 5.22%, 12.36% for 2003 and 2004, respectively. The research laid an agronomic foundation for GPC (grain protein content) estimation by multi-temporal remote sensing. The results showed that it is feasible to estimate GPC of wheat from multi-temporal remote sensing data in large area.展开更多
Many complex traits are highly correlated rather than independent. By taking the correlation structure of multiple traits into account, joint association analyses can achieve both higher statistical power and more acc...Many complex traits are highly correlated rather than independent. By taking the correlation structure of multiple traits into account, joint association analyses can achieve both higher statistical power and more accurate estimation. To develop a statistical approach to joint association analysis that includes allele detection and genetic effect estimation, we combined multivariate partial least squares regression with variable selection strategies and selected the optimal model using the Bayesian Information Criterion(BIC). We then performed extensive simulations under varying heritabilities and sample sizes to compare the performance achieved using our method with those obtained by single-trait multilocus methods. Joint association analysis has measurable advantages over single-trait methods, as it exhibits superior gene detection power, especially for pleiotropic genes. Sample size, heritability,polymorphic information content(PIC), and magnitude of gene effects influence the statistical power, accuracy and precision of effect estimation by the joint association analysis.展开更多
Boreal forests play an important role in global environment systems. Understanding boreal forest ecosystem structure and function requires accurate monitoring and estimating of forest canopy and biomass. We used parti...Boreal forests play an important role in global environment systems. Understanding boreal forest ecosystem structure and function requires accurate monitoring and estimating of forest canopy and biomass. We used partial least square regression (PLSR) models to relate forest parameters, i.e. canopy closure density and above ground tree biomass, to Landsat ETM+ data. The established models were optimized according to the variable importance for projection (VIP) criterion and the bootstrap method, and their performance was compared using several statistical indices. All variables selected by the VIP criterion passed the bootstrap test (p〈0.05). The simplified models without insignificant variables (VIP 〈1) performed as well as the full model but with less computation time. The relative root mean square error (RMSE%) was 29% for canopy closure density, and 58% for above ground tree biomass. We conclude that PLSR can be an effective method for estimating canopy closure density and above ground biomass.展开更多
An approach for batch processes monitoring and fault detection based on multiway kernel partial least squares(MKPLS) was presented.It is known that conventional batch process monitoring methods,such as multiway partia...An approach for batch processes monitoring and fault detection based on multiway kernel partial least squares(MKPLS) was presented.It is known that conventional batch process monitoring methods,such as multiway partial least squares(MPLS),are not suitable due to their intrinsic linearity when the variations are nonlinear.To address this issue,kernel partial least squares(KPLS) was used to capture the nonlinear relationship between the latent structures and predictive variables.In addition,KPLS requires only linear algebra and does not involve any nonlinear optimization.In this paper,the application of KPLS was extended to on-line monitoring of batch processes.The proposed batch monitoring method was applied to a simulation benchmark of fed-batch penicillin fermentation process.And the results demonstrate the superior monitoring performance of MKPLS in comparison to MPLS monitoring.展开更多
Considering chaotic time series multi-step prediction, multi-step direct prediction model based on partial least squares (PLS) is proposed in this article, where PLS, the method for predicting a set of dependent var...Considering chaotic time series multi-step prediction, multi-step direct prediction model based on partial least squares (PLS) is proposed in this article, where PLS, the method for predicting a set of dependent variables forming a large set of predictors, is used to model the dynamic evolution between the space points and the corresponding future points. The model can eliminate error accumulation with the common single-step local model algorithm~ and refrain from the high multi-collinearity problem in the reconstructed state space with the increase of embedding dimension. Simulation predictions are done on the Mackey-Glass chaotic time series with the model. The satisfying prediction accuracy is obtained and the model efficiency verified. In the experiments, the number of extracted components in PLS is set with cross-validation procedure.展开更多
In 2013, Chang'E-3 program will develop lunar mineral resources in-situ detection. A Visible and Near-infrared Imaging Spectrometer(VNIS) has been selected as one payload of CE-3 lunar rover to achieve this goal. ...In 2013, Chang'E-3 program will develop lunar mineral resources in-situ detection. A Visible and Near-infrared Imaging Spectrometer(VNIS) has been selected as one payload of CE-3 lunar rover to achieve this goal. It is critical and urgent to evaluate VNIS' spectrum data quality and validate quantification methods for mineral composition before its launch. Ground validation experiment of VNIS was carried out to complete the two goals, by simulating CE-3 lunar rover's detection environment on lunar surface in the laboratory. Based on the hyperspectral reflectance data derived, Correlation Analysis and Partial Least Square(CA-PLS) algorithm is applied to predict abundance of four lunar typical minerals(pyroxene, plagioclase, ilmenite and olivine) in their mixture. We firstly selected a set of VNIS' spectral parameters which highly correlated with minerals' abundance by correlation analysis(CA), and then stepwise regression method was used to find out spectral parameters which make the largest contributions to the mineral contents. At last, functions were derived to link minerals' abundance and spectral parameters by partial least square(PLS) algorithm. Not considering the effect of maturity, agglutinate and Fe0, we found that there are wonderful correlations between these four minerals and VNIS' spectral parameters, e.g. the abundance of pyroxene correlates positively with the mixture's absorption depth, the value of absorption depth added as the increasing of pyroxene's abundance. But the abundance of plagioclase correlates negatively with the spectral parameters of band ratio, the value of band ratio would decrease when the abundance of plagioclase increased. Similar to plagioclase, the abundance of ilmenite and olivine has a negative correlation with the mixture's reflectance data, if the abundance of ilmenite or olivine increase, the reflectance values of the mixture will decrease. Through model validation, better estimates of pyroxene, plagioclase and ilmenite's abundances are given. It is concluded that VNIS has the capability to be applied on lunar minerals' identification, and CA-PLS algorithm has the potential to be used on lunar surface's in-situ detection for minerals' abundance prediction.展开更多
The identification of liquor brands is very important for food safety. Most of the fake liquors are usually made into the products with the same flavor and alcohol content as regular brand, so the identification for t...The identification of liquor brands is very important for food safety. Most of the fake liquors are usually made into the products with the same flavor and alcohol content as regular brand, so the identification for the liquor brands with the same flavor and the same alcohol content is essential. However, it is also difficult because the components of such liquor samples are very similar. Near-infrared (NIR) spectroscopy combined with partial least squares discriminant analysis (PLS-DA) was applied to identification of liquor brands with the same flavor and alcohol content. A total of 160 samples of Luzhou Laojiao liquor and 200 samples of non-Luzhou Laojiao liquor with the same flavor and alcohol content were used for identification. Samples of each type were randomly divided into the modeling and validation sets. The modeling samples were further divided into calibration and prediction sets using the Kennard-Stone algorithm to achieve uniformity and representativeness. In the modeling and validation processes based on PLS-DA method, the recognition rates of samples achieved 99.1% and 98.7%, respectively. The results show high prediction performance for the identification of liquor brands, and were obviously better than those obtained from the principal component linear discriminant analysis method. NIR spectroscopy combined with the PLS-DA method provides a quick and effective means of the discriminant analysis of liquor brands, and is also a promising tool for large-scale inspection of liquor food safety.展开更多
Rate of penetration(ROP) of a tunnel boring machine(TBM) in a rock environment is generally a key parameter for the successful accomplishment of a tunneling project. The objectives of this work are to compare the accu...Rate of penetration(ROP) of a tunnel boring machine(TBM) in a rock environment is generally a key parameter for the successful accomplishment of a tunneling project. The objectives of this work are to compare the accuracy of prediction models employing partial least squares(PLS) regression and support vector machine(SVM) regression technique for modeling the penetration rate of TBM. To develop the proposed models, the database that is composed of intact rock properties including uniaxial compressive strength(UCS), Brazilian tensile strength(BTS), and peak slope index(PSI), and also rock mass properties including distance between planes of weakness(DPW) and the alpha angle(α) are input as dependent variables and the measured ROP is chosen as an independent variable. Two hundred sets of data are collected from Queens Water Tunnel and Karaj-Tehran water transfer tunnel TBM project. The accuracy of the prediction models is measured by the coefficient of determination(R2) and root mean squares error(RMSE) between predicted and observed yield employing 10-fold cross-validation schemes. The R2 and RMSE of prediction are 0.8183 and 0.1807 for SVMR method, and 0.9999 and 0.0011 for PLS method, respectively. Comparison between the values of statistical parameters reveals the superiority of the PLSR model over SVMR one.展开更多
This study used near-infrared(NIR)spectroscopy to predict mechanical properties of wood.NIR spectra were collected in wavelengths 900–1700 nm,and spectra averaged by radial and tangential surface spectra were used to...This study used near-infrared(NIR)spectroscopy to predict mechanical properties of wood.NIR spectra were collected in wavelengths 900–1700 nm,and spectra averaged by radial and tangential surface spectra were used to establish a partial least square(PLS)model based on correlation local embedding(CLE).Mongolian oak(Quercus mongolica Fisch.ex Ledeb.)was used to test the eff ectiveness of the model.The cross-validation method was used to verify the robustness of the CLE–PLS model.Ninety samples were tested as the calibration set and forty-fi ve as the validation set.The results show that the prediction coeffi cient of determination(R2 p)is 0.80 for MOR,and 0.78 for MOE.The ratio of performance to deviation is 2.23 for MOR and 2.15 for MOE.展开更多
A quantitative structure-activity relationships (QSAR) study is suggested for the prediction of solubility of some thiazolidine-4- carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calcul...A quantitative structure-activity relationships (QSAR) study is suggested for the prediction of solubility of some thiazolidine-4- carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calculate some quantum chemical descriptors including electrostatic potentials and local charges at each atom, HOMO and LUMO energies, etc. Modeling of the solubility of thiazolidine- 4-carboxylic acid derivatives as a function of molecular structures was established by means of the partial least squares (PLS). The subset of descriptors, which resulted in the low prediction error, was selected by genetic algorithm. This model was applied for the prediction of the solubility of some thiazolidine-4-carboxylic acid derivatives, which were not in the modeling procedure. The relative errors of prediction lower that -4% was obtained by using GA-PLS method. The resulted model showed high prediction ability with RMSEP of 3.8836 and 2.9500 for PLS and GA-PLS models, respectively.展开更多
When the total least squares(TLS)solution is used to solve the parameters in the errors-in-variables(EIV)model,the obtained parameter estimations will be unreliable in the observations containing systematic errors.To ...When the total least squares(TLS)solution is used to solve the parameters in the errors-in-variables(EIV)model,the obtained parameter estimations will be unreliable in the observations containing systematic errors.To solve this problem,we propose to add the nonparametric part(systematic errors)to the partial EIV model,and build the partial EIV model to weaken the influence of systematic errors.Then,having rewritten the model as a nonlinear model,we derive the formula of parameter estimations based on the penalized total least squares criterion.Furthermore,based on the second-order approximation method of precision estimation,we derive the second-order bias and covariance of parameter estimations and calculate the mean square error(MSE).Aiming at the selection of the smoothing factor,we propose to use the U curve method.The experiments show that the proposed method can mitigate the influence of systematic errors to a certain extent compared with the traditional method and get more reliable parameter estimations and its precision information,which validates the feasibility and effectiveness of the proposed method.展开更多
The computer auxiliary partial least squares is introduced to simultaneously determine the contents of Deoxyschizandin, Schisandrin, r-Schisandrin in the extracted solution of wuweizi. Regression analysis of the exper...The computer auxiliary partial least squares is introduced to simultaneously determine the contents of Deoxyschizandin, Schisandrin, r-Schisandrin in the extracted solution of wuweizi. Regression analysis of the experimental results shows that the average recovery of each component is all in the range from 98.9% to 110.3% , which means the partial least squares regression spectrophotometry can circumvent the overlappirtg of absorption spectrums of mlulti-components, so that sctisfactory results can be obtained without any scrapple pre-separation.展开更多
The Laser Induced Breakdown Spectroscopy (LIBS) is a fast, non-contact, no sample preparation analytic technology;it is very suitable for on-line analysis of alloy composition. In the copper smelting industry, analysi...The Laser Induced Breakdown Spectroscopy (LIBS) is a fast, non-contact, no sample preparation analytic technology;it is very suitable for on-line analysis of alloy composition. In the copper smelting industry, analysis and control of the copper alloy concentration affect the quality of the products greatly, so LIBS is an efficient quantitative analysis tech- nology in the copper smelting industry. But for the lead brass, the components of Pb, Al and Ni elements are very low and the atomic emission lines are easily submerged under copper complex characteristic spectral lines because of the matrix effects. So it is difficult to get the online quantitative result of these important elements. In this paper, both the partial least squares (PLS) method and the calibration curve (CC) method are used to quantitatively analyze the laser induced breakdown spectroscopy data which is obtained from the standard lead brass alloy samples. Both the major and trace elements were quantitatively analyzed. By comparing the two results of the different calibration method, some useful results were obtained: both for major and trace elements, the PLS method was better than the CC method in quantitative analysis. And the regression coefficient of PLS method is compared with the original spectral data with background interference to explain the advantage of the PLS method in the LIBS quantitative analysis. Results proved that the PLS method used in laser induced breakdown spectroscopy was suitable for simultaneous quantitative analysis of different content elements in copper smelting industry.展开更多
Purpose:This paper aims to examine how the adoption decision of the internet banking in North Cyprus would be affected based on the following dimensions;the technology features,the personal characteristics,the social ...Purpose:This paper aims to examine how the adoption decision of the internet banking in North Cyprus would be affected based on the following dimensions;the technology features,the personal characteristics,the social environment and the expected risk.Design/methodology/approach:A self-administered survey was conducted with 291 participants responded to it.The partial least square approach of the structural equation modeling(PLS-SEM)is employed to investigate the direct effects of the proposed factors on the adoption decision.Additionally,the mediation test is used to examine indirect effects.Findings:Results showed that even though the participants appreciated the benefits of the online banking as the perceived usefulness factor exerts the greatest direct effect,they would rather use clear and easy-to-use websites,adding to that their assessments of the usefulness of these services are significantly influenced by the surrounding people’s views and prior experience.This is demonstrated by the total effects of the perceived ease of use and the subjective norm factors,which are greater than the direct effect of the perceived usefulness factor since both of these factors have significant direct and indirect effects mediated by the perceived usefulness factor.The negative impact of the perceived risk factor is weak compared to the previous factors.While the personal innovativeness factor showed the weakest effect among the proposed factors.展开更多
文摘The UV absorption spectra of o-naphthol,α-naphthylamine,2,7-dihydroxy naphthalene,2,4-dimethoxy ben- zaldehyde and methyl salicylate,overlap severely;therefore it is impossible to determine them in mixtures by traditional spectrophotometric methods.In this paper,the partial least-squares(PLS)regression is applied to the simultaneous determination of these compounds in mixtures by UV spectrophtometry without any pretreatment of the samples.Ten synthetic mixture samples are analyzed by the proposed method.The mean recoveries are 99.4%,996%,100.2%,99.3% and 99.1%,and the relative standard deviations(RSD) are 1.87%,1.98%,1.94%,0.960% and 0.672%,respectively.
文摘Breast cancer is one of the malignant tumors having high incidence in women,the incidence of breast cancer has increased in all parts of the world since twentieth century,but its etiology is not yet completely clear,so it is very important to detect breast cells.In this paper,we built a regression model to detect breast cells,and generated a method for predicting the formation of benign and malignant breast cells by training the model,then we used the 10 features of breast cells to predict it,the results reaching upto 93.67%accuracy,it was very effective to predict and analyse whether the breast cells getting cancer,It had an important role in the diagnosis and prevention of breast cancer.
基金the Hi-Tech Research and Development Program (863) of China (No. 2006AA10Z203)the National Scienceand Technology Task Force Project (No. 2006BAD10A01), China
文摘Detecting plant health conditions plays a key role in farm pest management and crop protection. In this study, measurement of hyperspectral leaf reflectance in rice crop (Oryzasativa L.) was conducted on groups of healthy and infected leaves by the fungus Bipolaris oryzae (Helminthosporium oryzae Breda. de Hann) through the wavelength range from 350 to 2 500 nm. The percentage of leaf surface lesions was estimated and defined as the disease severity. Statistical methods like multiple stepwise regression, principal component analysis and partial least-square regression were utilized to calculate and estimate the disease severity of rice brown spot at the leaf level. Our results revealed that multiple stepwise linear regressions could efficiently estimate disease severity with three wavebands in seven steps. The root mean square errors (RMSEs) for training (n=210) and testing (n=53) dataset were 6.5% and 5.8%, respectively. Principal component analysis showed that the first principal component could explain approximately 80% of the variance of the original hyperspectral reflectance. The regression model with the first two principal components predicted a disease severity with RMSEs of 16.3% and 13.9% for the training and testing dataset, respec-tively. Partial least-square regression with seven extracted factors could most effectively predict disease severity compared with other statistical methods with RMSEs of 4.1% and 2.0% for the training and testing dataset, respectively. Our research demon-strates that it is feasible to estimate the disease severity of rice brown spot using hyperspectral reflectance data at the leaf level.
基金supported by the projects under the Innovation Team of the Safety Standards and Testing Technology for Agricultural Products of Zhejiang Province, China (Grant No.2010R50028)the National Key Technologies R&D Program of China during the 11th Five-Year Plan Period (Grant No.2006BAK02A18)
文摘Near infrared reflectance spectroscopy (NIRS), a non-destructive measurement technique, was combined with partial least squares regression discrimiant analysis (PLS-DA) to discriminate the transgenic (TCTP and mi166) and wild type (Zhonghua 11) rice. Furthermore, rice lines transformed with protein gene (OsTCTP) and regulation gene (Osmi166) were also discriminated by the NIRS method. The performances of PLS-DA in spectral ranges of 4 000-8 000 cm-1 and 4 000-10 000 cm-1 were compared to obtain the optimal spectral range. As a result, the transgenic and wild type rice were distinguished from each other in the range of 4 000-10 000 cm-1, and the correct classification rate was 100.0% in the validation test. The transgenic rice TCTP and mi166 were also distinguished from each other in the range of 4 000-10 000 cm-1, and the correct classification rate was also 100.0%. In conclusion, NIRS combined with PLS-DA can be used for the discrimination of transgenic rice.
基金the National Natural Science Foundation of China (41171281, 40701120)the Beijing Nova Program, China (2008B33)
文摘Estimating wheat grain protein content by remote sensing is important for assessing wheat quality at maturity and making grains harvest and purchase policies. However, spatial variability of soil condition, temperature, and precipitation will affect grain protein contents and these factors usually cannot be monitored accurately by remote sensing data from single image. In this research, the relationships between wheat protein content at maturity and wheat agronomic parameters at different growing stages were analyzed and multi-temporal images of Landsat TM were used to estimate grain protein content by partial least squares regression. Experiment data were acquired in the suburb of Beijing during a 2-yr experiment in the period from 2003 to 2004. Determination coefficient, average deviation of self-modeling, and deviation of cross- validation were employed to assess the estimation accuracy of wheat grain protein content. Their values were 0.88, 1.30%, 3.81% and 0.72, 5.22%, 12.36% for 2003 and 2004, respectively. The research laid an agronomic foundation for GPC (grain protein content) estimation by multi-temporal remote sensing. The results showed that it is feasible to estimate GPC of wheat from multi-temporal remote sensing data in large area.
基金supported by grants from the National Program on the Development of Basic Research (2011CB100100)the Priority Academic Program Development of Jiangsu Higher Education Institutions, the National Natural Science Foundations (31391632, 31200943, 31171187, and 91535103)+3 种基金the National High-tech R&D Program (863 Program) (2014AA10A601-5)the Natural Science Foundations of Jiangsu Province (BK20150010)the Natural Science Foundation of the Jiangsu Higher Education Institutions (14KJA210005)the Innovative Research Team of Universities in Jiangsu Province (KYLX_1352)
文摘Many complex traits are highly correlated rather than independent. By taking the correlation structure of multiple traits into account, joint association analyses can achieve both higher statistical power and more accurate estimation. To develop a statistical approach to joint association analysis that includes allele detection and genetic effect estimation, we combined multivariate partial least squares regression with variable selection strategies and selected the optimal model using the Bayesian Information Criterion(BIC). We then performed extensive simulations under varying heritabilities and sample sizes to compare the performance achieved using our method with those obtained by single-trait multilocus methods. Joint association analysis has measurable advantages over single-trait methods, as it exhibits superior gene detection power, especially for pleiotropic genes. Sample size, heritability,polymorphic information content(PIC), and magnitude of gene effects influence the statistical power, accuracy and precision of effect estimation by the joint association analysis.
基金supported by the 948 Program of the State Forestry Administration (2009-4-43)the National Natura Science Foundation of China (No.30870420)
文摘Boreal forests play an important role in global environment systems. Understanding boreal forest ecosystem structure and function requires accurate monitoring and estimating of forest canopy and biomass. We used partial least square regression (PLSR) models to relate forest parameters, i.e. canopy closure density and above ground tree biomass, to Landsat ETM+ data. The established models were optimized according to the variable importance for projection (VIP) criterion and the bootstrap method, and their performance was compared using several statistical indices. All variables selected by the VIP criterion passed the bootstrap test (p〈0.05). The simplified models without insignificant variables (VIP 〈1) performed as well as the full model but with less computation time. The relative root mean square error (RMSE%) was 29% for canopy closure density, and 58% for above ground tree biomass. We conclude that PLSR can be an effective method for estimating canopy closure density and above ground biomass.
基金National Natural Science Foundation of China (No. 61074079)Shanghai Leading Academic Discipline Project,China (No.B504)
文摘An approach for batch processes monitoring and fault detection based on multiway kernel partial least squares(MKPLS) was presented.It is known that conventional batch process monitoring methods,such as multiway partial least squares(MPLS),are not suitable due to their intrinsic linearity when the variations are nonlinear.To address this issue,kernel partial least squares(KPLS) was used to capture the nonlinear relationship between the latent structures and predictive variables.In addition,KPLS requires only linear algebra and does not involve any nonlinear optimization.In this paper,the application of KPLS was extended to on-line monitoring of batch processes.The proposed batch monitoring method was applied to a simulation benchmark of fed-batch penicillin fermentation process.And the results demonstrate the superior monitoring performance of MKPLS in comparison to MPLS monitoring.
文摘Considering chaotic time series multi-step prediction, multi-step direct prediction model based on partial least squares (PLS) is proposed in this article, where PLS, the method for predicting a set of dependent variables forming a large set of predictors, is used to model the dynamic evolution between the space points and the corresponding future points. The model can eliminate error accumulation with the common single-step local model algorithm~ and refrain from the high multi-collinearity problem in the reconstructed state space with the increase of embedding dimension. Simulation predictions are done on the Mackey-Glass chaotic time series with the model. The satisfying prediction accuracy is obtained and the model efficiency verified. In the experiments, the number of extracted components in PLS is set with cross-validation procedure.
基金financially supported by the Chang’E program of China (NO.TY3Q20110029)Knowledge Innovation Program of the Chinese Academy of Sciences (Grant No.KGCX2-EW-402)National Natural Science Foundation of China (Nos.11003012 and U1231103)
文摘In 2013, Chang'E-3 program will develop lunar mineral resources in-situ detection. A Visible and Near-infrared Imaging Spectrometer(VNIS) has been selected as one payload of CE-3 lunar rover to achieve this goal. It is critical and urgent to evaluate VNIS' spectrum data quality and validate quantification methods for mineral composition before its launch. Ground validation experiment of VNIS was carried out to complete the two goals, by simulating CE-3 lunar rover's detection environment on lunar surface in the laboratory. Based on the hyperspectral reflectance data derived, Correlation Analysis and Partial Least Square(CA-PLS) algorithm is applied to predict abundance of four lunar typical minerals(pyroxene, plagioclase, ilmenite and olivine) in their mixture. We firstly selected a set of VNIS' spectral parameters which highly correlated with minerals' abundance by correlation analysis(CA), and then stepwise regression method was used to find out spectral parameters which make the largest contributions to the mineral contents. At last, functions were derived to link minerals' abundance and spectral parameters by partial least square(PLS) algorithm. Not considering the effect of maturity, agglutinate and Fe0, we found that there are wonderful correlations between these four minerals and VNIS' spectral parameters, e.g. the abundance of pyroxene correlates positively with the mixture's absorption depth, the value of absorption depth added as the increasing of pyroxene's abundance. But the abundance of plagioclase correlates negatively with the spectral parameters of band ratio, the value of band ratio would decrease when the abundance of plagioclase increased. Similar to plagioclase, the abundance of ilmenite and olivine has a negative correlation with the mixture's reflectance data, if the abundance of ilmenite or olivine increase, the reflectance values of the mixture will decrease. Through model validation, better estimates of pyroxene, plagioclase and ilmenite's abundances are given. It is concluded that VNIS has the capability to be applied on lunar minerals' identification, and CA-PLS algorithm has the potential to be used on lunar surface's in-situ detection for minerals' abundance prediction.
文摘The identification of liquor brands is very important for food safety. Most of the fake liquors are usually made into the products with the same flavor and alcohol content as regular brand, so the identification for the liquor brands with the same flavor and the same alcohol content is essential. However, it is also difficult because the components of such liquor samples are very similar. Near-infrared (NIR) spectroscopy combined with partial least squares discriminant analysis (PLS-DA) was applied to identification of liquor brands with the same flavor and alcohol content. A total of 160 samples of Luzhou Laojiao liquor and 200 samples of non-Luzhou Laojiao liquor with the same flavor and alcohol content were used for identification. Samples of each type were randomly divided into the modeling and validation sets. The modeling samples were further divided into calibration and prediction sets using the Kennard-Stone algorithm to achieve uniformity and representativeness. In the modeling and validation processes based on PLS-DA method, the recognition rates of samples achieved 99.1% and 98.7%, respectively. The results show high prediction performance for the identification of liquor brands, and were obviously better than those obtained from the principal component linear discriminant analysis method. NIR spectroscopy combined with the PLS-DA method provides a quick and effective means of the discriminant analysis of liquor brands, and is also a promising tool for large-scale inspection of liquor food safety.
基金Project(2010CB732004)supported by the National Basic Research Program of ChinaProjects(50934006,41272304)supported by the National Natural Science Foundation of China
文摘Rate of penetration(ROP) of a tunnel boring machine(TBM) in a rock environment is generally a key parameter for the successful accomplishment of a tunneling project. The objectives of this work are to compare the accuracy of prediction models employing partial least squares(PLS) regression and support vector machine(SVM) regression technique for modeling the penetration rate of TBM. To develop the proposed models, the database that is composed of intact rock properties including uniaxial compressive strength(UCS), Brazilian tensile strength(BTS), and peak slope index(PSI), and also rock mass properties including distance between planes of weakness(DPW) and the alpha angle(α) are input as dependent variables and the measured ROP is chosen as an independent variable. Two hundred sets of data are collected from Queens Water Tunnel and Karaj-Tehran water transfer tunnel TBM project. The accuracy of the prediction models is measured by the coefficient of determination(R2) and root mean squares error(RMSE) between predicted and observed yield employing 10-fold cross-validation schemes. The R2 and RMSE of prediction are 0.8183 and 0.1807 for SVMR method, and 0.9999 and 0.0011 for PLS method, respectively. Comparison between the values of statistical parameters reveals the superiority of the PLSR model over SVMR one.
基金financially supported by the China State Forestry Administration“948”projects(2015-4-52)Fundamental Research Funds for the Central Universities(2572017DB05)Heilongjiang Natural Science Foundation(C2017005)。
文摘This study used near-infrared(NIR)spectroscopy to predict mechanical properties of wood.NIR spectra were collected in wavelengths 900–1700 nm,and spectra averaged by radial and tangential surface spectra were used to establish a partial least square(PLS)model based on correlation local embedding(CLE).Mongolian oak(Quercus mongolica Fisch.ex Ledeb.)was used to test the eff ectiveness of the model.The cross-validation method was used to verify the robustness of the CLE–PLS model.Ninety samples were tested as the calibration set and forty-fi ve as the validation set.The results show that the prediction coeffi cient of determination(R2 p)is 0.80 for MOR,and 0.78 for MOE.The ratio of performance to deviation is 2.23 for MOR and 2.15 for MOE.
文摘A quantitative structure-activity relationships (QSAR) study is suggested for the prediction of solubility of some thiazolidine-4- carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calculate some quantum chemical descriptors including electrostatic potentials and local charges at each atom, HOMO and LUMO energies, etc. Modeling of the solubility of thiazolidine- 4-carboxylic acid derivatives as a function of molecular structures was established by means of the partial least squares (PLS). The subset of descriptors, which resulted in the low prediction error, was selected by genetic algorithm. This model was applied for the prediction of the solubility of some thiazolidine-4-carboxylic acid derivatives, which were not in the modeling procedure. The relative errors of prediction lower that -4% was obtained by using GA-PLS method. The resulted model showed high prediction ability with RMSEP of 3.8836 and 2.9500 for PLS and GA-PLS models, respectively.
基金supported by the National Natural Science Foundation of China,Nos.41874001 and 41664001Support Program for Outstanding Youth Talents in Jiangxi Province,No.20162BCB23050National Key Research and Development Program,No.2016YFB0501405。
文摘When the total least squares(TLS)solution is used to solve the parameters in the errors-in-variables(EIV)model,the obtained parameter estimations will be unreliable in the observations containing systematic errors.To solve this problem,we propose to add the nonparametric part(systematic errors)to the partial EIV model,and build the partial EIV model to weaken the influence of systematic errors.Then,having rewritten the model as a nonlinear model,we derive the formula of parameter estimations based on the penalized total least squares criterion.Furthermore,based on the second-order approximation method of precision estimation,we derive the second-order bias and covariance of parameter estimations and calculate the mean square error(MSE).Aiming at the selection of the smoothing factor,we propose to use the U curve method.The experiments show that the proposed method can mitigate the influence of systematic errors to a certain extent compared with the traditional method and get more reliable parameter estimations and its precision information,which validates the feasibility and effectiveness of the proposed method.
文摘The computer auxiliary partial least squares is introduced to simultaneously determine the contents of Deoxyschizandin, Schisandrin, r-Schisandrin in the extracted solution of wuweizi. Regression analysis of the experimental results shows that the average recovery of each component is all in the range from 98.9% to 110.3% , which means the partial least squares regression spectrophotometry can circumvent the overlappirtg of absorption spectrums of mlulti-components, so that sctisfactory results can be obtained without any scrapple pre-separation.
文摘The Laser Induced Breakdown Spectroscopy (LIBS) is a fast, non-contact, no sample preparation analytic technology;it is very suitable for on-line analysis of alloy composition. In the copper smelting industry, analysis and control of the copper alloy concentration affect the quality of the products greatly, so LIBS is an efficient quantitative analysis tech- nology in the copper smelting industry. But for the lead brass, the components of Pb, Al and Ni elements are very low and the atomic emission lines are easily submerged under copper complex characteristic spectral lines because of the matrix effects. So it is difficult to get the online quantitative result of these important elements. In this paper, both the partial least squares (PLS) method and the calibration curve (CC) method are used to quantitatively analyze the laser induced breakdown spectroscopy data which is obtained from the standard lead brass alloy samples. Both the major and trace elements were quantitatively analyzed. By comparing the two results of the different calibration method, some useful results were obtained: both for major and trace elements, the PLS method was better than the CC method in quantitative analysis. And the regression coefficient of PLS method is compared with the original spectral data with background interference to explain the advantage of the PLS method in the LIBS quantitative analysis. Results proved that the PLS method used in laser induced breakdown spectroscopy was suitable for simultaneous quantitative analysis of different content elements in copper smelting industry.
文摘Purpose:This paper aims to examine how the adoption decision of the internet banking in North Cyprus would be affected based on the following dimensions;the technology features,the personal characteristics,the social environment and the expected risk.Design/methodology/approach:A self-administered survey was conducted with 291 participants responded to it.The partial least square approach of the structural equation modeling(PLS-SEM)is employed to investigate the direct effects of the proposed factors on the adoption decision.Additionally,the mediation test is used to examine indirect effects.Findings:Results showed that even though the participants appreciated the benefits of the online banking as the perceived usefulness factor exerts the greatest direct effect,they would rather use clear and easy-to-use websites,adding to that their assessments of the usefulness of these services are significantly influenced by the surrounding people’s views and prior experience.This is demonstrated by the total effects of the perceived ease of use and the subjective norm factors,which are greater than the direct effect of the perceived usefulness factor since both of these factors have significant direct and indirect effects mediated by the perceived usefulness factor.The negative impact of the perceived risk factor is weak compared to the previous factors.While the personal innovativeness factor showed the weakest effect among the proposed factors.