目的探讨orthogonal projection to latent structures(OPLS)方法的原理、特点及其在代谢组学高维数据分析中的应用。方法通过R语言编程实现OPLS方法,利用模拟试验探索OPLS的特性及适用条件,并通过实际数据进行验证。结果利用一个OPLS...目的探讨orthogonal projection to latent structures(OPLS)方法的原理、特点及其在代谢组学高维数据分析中的应用。方法通过R语言编程实现OPLS方法,利用模拟试验探索OPLS的特性及适用条件,并通过实际数据进行验证。结果利用一个OPLS预测主成分的模型拟合效果与利用偏最小二乘(PLS)多个主成分的模型拟合效果相同,同时具有较好的判别能力,其得分图的可视化效果优于PLS。结论 OPLS能够有效去除自变量矩阵X中与因变量Y无关的信息,使模型变得简单、易于解释,同时具有较好的可视化效果,可有效地用于代谢组学数据分析中。展开更多
The identification of timber properties is important for safe application.Near Infrared Spectroscopy(NIRS)technology is widely-used because of its simplicity,efficiency,and positive environmental attributes.However,in...The identification of timber properties is important for safe application.Near Infrared Spectroscopy(NIRS)technology is widely-used because of its simplicity,efficiency,and positive environmental attributes.However,in its application,weak signals are extracted from complex,overlapping and changing information.This study focused on the stability of NIR modeling.The Orthogonal Partial Least Squares(OPLS)and Successive Projections Algorithm(SPA)eliminates noise and extracts effective spectra,and an ensemble learning method MIX-PLS,is applied to establish the model.The elastic modulus of timber is taken as an example,and 201 wood samples of three species,Xylosmacongesta(Lour.)Merr.,Acer pictum subsp.mono,and Betula pendula,samples were divided into three groups to investigate modelling performance.The results show that OPLS can preprocess the near-infrared spectroscopy information according to the target object in the face of the system error and reduce errors to minimum.SPA finally selects 13 spectral bands,simplifies the NIR spectral data and improves model accuracy.The Pearson's correlation coefficient of Calibration(Rc)and the Pearson's correlation coefficient of Prediction(Rp)of Mix Partial Least Squares(MIX-PLS)were 0.95 and 0.90,and Root Mean Square Error of Calibration(RMSEC)and Root Mean Square Error of Prediction(RMSEP)are 2.075 and 6.001,respectively,which shows the model has good generalization abilities.展开更多
应用近红外光谱分析技术,建立了不同品牌不同种类不同批次的乳粉原样和混合样的蛋白质定量分析模型。采用正交投影偏最小二乘法(orthogonal partial least squares,OPLS)建立近红外光谱回归模型,并与其他预处理方法和传统偏最小二乘法(p...应用近红外光谱分析技术,建立了不同品牌不同种类不同批次的乳粉原样和混合样的蛋白质定量分析模型。采用正交投影偏最小二乘法(orthogonal partial least squares,OPLS)建立近红外光谱回归模型,并与其他预处理方法和传统偏最小二乘法(partial least squares,PLS)对比;采用交叉验证法(cross-validation)全局寻优方式获得OPLS和PLS模型的最佳参数;5个主成分建立的OPLS校正模型效果最佳,相关系数R为0.994 0,校正集交叉验证均方根RMSECV为1.09,预测集的化学值与模型预测值的相关系数R达到0.976 7,分析模型的预测误差均方根RMSEP为0.905。结果表明:OPLS回归方法在简化模型的同时提高了模型的预测泛化性能,能够快速无损建立乳粉的蛋白质近红外定量模型。展开更多
Aim: The goal of this study is to evaluate the open packing of the lesser sac (OPLS) in treatment of infected severe acute pancreatitis Methodology: The study was based on 98 cases in which this technique was applied ...Aim: The goal of this study is to evaluate the open packing of the lesser sac (OPLS) in treatment of infected severe acute pancreatitis Methodology: The study was based on 98 cases in which this technique was applied during the period between 19942007, in two departments of surgery (Clinical Hospital CF 2 and Clinical Hospital ?Sf. Maria” Bucharest). The technique was applied based on the therapeutically protocol previously established beginning with 2000. The OPLS technique was analyzed relatively to: timing of surgery, the localization of the infected necrosis or abscesses, growing germs on the cultures, antibiotics received, executed primarily or at reintervention, the number of debridement, hospitalization, morbidity and mortality. The information was statistically processed using SPSS test version 17 for Windows. Results: The OPLS technique improved the control of the local sepsis, in the retrospective/prospective study in 83.7%. Mortality was 16.3% (16/98), with a global mortality of 26.3% (75/285) and a postoperative mortality of 29.5% (66/224). Conclusions: Considering the fact that the intensive care techniques are approximately the same in the last 15 years, we thought that this improvement in the survival rate may be due to the application of OPLS in cases with indication and optimal timing for surgery.展开更多
基金supported financially by the China State Forestry Administration“948”projects(2015-4-52)Heilongjiang Natural Science Foundation(C2017005)。
文摘The identification of timber properties is important for safe application.Near Infrared Spectroscopy(NIRS)technology is widely-used because of its simplicity,efficiency,and positive environmental attributes.However,in its application,weak signals are extracted from complex,overlapping and changing information.This study focused on the stability of NIR modeling.The Orthogonal Partial Least Squares(OPLS)and Successive Projections Algorithm(SPA)eliminates noise and extracts effective spectra,and an ensemble learning method MIX-PLS,is applied to establish the model.The elastic modulus of timber is taken as an example,and 201 wood samples of three species,Xylosmacongesta(Lour.)Merr.,Acer pictum subsp.mono,and Betula pendula,samples were divided into three groups to investigate modelling performance.The results show that OPLS can preprocess the near-infrared spectroscopy information according to the target object in the face of the system error and reduce errors to minimum.SPA finally selects 13 spectral bands,simplifies the NIR spectral data and improves model accuracy.The Pearson's correlation coefficient of Calibration(Rc)and the Pearson's correlation coefficient of Prediction(Rp)of Mix Partial Least Squares(MIX-PLS)were 0.95 and 0.90,and Root Mean Square Error of Calibration(RMSEC)and Root Mean Square Error of Prediction(RMSEP)are 2.075 and 6.001,respectively,which shows the model has good generalization abilities.
文摘应用近红外光谱分析技术,建立了不同品牌不同种类不同批次的乳粉原样和混合样的蛋白质定量分析模型。采用正交投影偏最小二乘法(orthogonal partial least squares,OPLS)建立近红外光谱回归模型,并与其他预处理方法和传统偏最小二乘法(partial least squares,PLS)对比;采用交叉验证法(cross-validation)全局寻优方式获得OPLS和PLS模型的最佳参数;5个主成分建立的OPLS校正模型效果最佳,相关系数R为0.994 0,校正集交叉验证均方根RMSECV为1.09,预测集的化学值与模型预测值的相关系数R达到0.976 7,分析模型的预测误差均方根RMSEP为0.905。结果表明:OPLS回归方法在简化模型的同时提高了模型的预测泛化性能,能够快速无损建立乳粉的蛋白质近红外定量模型。
文摘Aim: The goal of this study is to evaluate the open packing of the lesser sac (OPLS) in treatment of infected severe acute pancreatitis Methodology: The study was based on 98 cases in which this technique was applied during the period between 19942007, in two departments of surgery (Clinical Hospital CF 2 and Clinical Hospital ?Sf. Maria” Bucharest). The technique was applied based on the therapeutically protocol previously established beginning with 2000. The OPLS technique was analyzed relatively to: timing of surgery, the localization of the infected necrosis or abscesses, growing germs on the cultures, antibiotics received, executed primarily or at reintervention, the number of debridement, hospitalization, morbidity and mortality. The information was statistically processed using SPSS test version 17 for Windows. Results: The OPLS technique improved the control of the local sepsis, in the retrospective/prospective study in 83.7%. Mortality was 16.3% (16/98), with a global mortality of 26.3% (75/285) and a postoperative mortality of 29.5% (66/224). Conclusions: Considering the fact that the intensive care techniques are approximately the same in the last 15 years, we thought that this improvement in the survival rate may be due to the application of OPLS in cases with indication and optimal timing for surgery.
