The existing optimized performance prediction of carbon fiber protofilament process model is still unable to meet the production needs. A way of performance prediction on carbon fiber protofilament was presented based...The existing optimized performance prediction of carbon fiber protofilament process model is still unable to meet the production needs. A way of performance prediction on carbon fiber protofilament was presented based on support vector regression( SVR) which was optimized by an optimization algorithm combining simulated annealing algorithm and genetic algorithm( SAGA-SVR). To verify the accuracy of the model,the carbon fiber protofilament production test data were analyzed and compared with BP neural network( BPNN). The results show that SAGA-SVR can predict the performance parameters of the carbon fiber protofilament accurately.展开更多
In this work, some chemometrics methods are applied for the modeling and prediction of the Hildebrand solubility parameter of some polymers. A genetic algorithm (GA) method is designed for the selection of variables...In this work, some chemometrics methods are applied for the modeling and prediction of the Hildebrand solubility parameter of some polymers. A genetic algorithm (GA) method is designed for the selection of variables to construct two models using the multiple linear regression (MLR) and least square-support vector machine (LS-SVM) methods in order to predict the Hildebrand solubility parameter. The MLR method is used to build a linear relationship between the molecular descriptors and the Hildebrand solubility parameter for these compounds. Then the LS-SVM method is utilized to construct the non-linear quantitative structure-activity relationship (QSAR) models. The results obtained using the LS-SVM method are then compared with those obtained for the MLR method; it was revealed that the LS-SVM model was much better than the MLR one. The root-mean-square errors of the training set and the test set for the LS-SVM model were 0.2912 and 0.2427, and the correlation coefficients were 0.9662 and 0.9518, respectively. This paper provides a new and effective method for predicting the Hildebrand solubility parameter for some polymers, and also reveals that the LS-SVM method can be used as a powerful chemometrics tool for the quantitative structure-property relationship (QSPR) studies.展开更多
基金the Key Project of National Natural Science Foundation of China(No.61134009)Program for Changjiang Scholars and Innovation Research Team in University from the Ministry of Education,China(No.IRT1220)+1 种基金Specialized Research Fund for Shanghai Leading Talents,Project of the Shanghai Committee of Science and Technology,China(No.13JC1407500)the Fundamental Research Funds for the Central Universities,China(No.2232012A3-04)
摘要The existing optimized performance prediction of carbon fiber protofilament process model is still unable to meet the production needs. A way of performance prediction on carbon fiber protofilament was presented based on support vector regression( SVR) which was optimized by an optimization algorithm combining simulated annealing algorithm and genetic algorithm( SAGA-SVR). To verify the accuracy of the model,the carbon fiber protofilament production test data were analyzed and compared with BP neural network( BPNN). The results show that SAGA-SVR can predict the performance parameters of the carbon fiber protofilament accurately.
摘要In this work, some chemometrics methods are applied for the modeling and prediction of the Hildebrand solubility parameter of some polymers. A genetic algorithm (GA) method is designed for the selection of variables to construct two models using the multiple linear regression (MLR) and least square-support vector machine (LS-SVM) methods in order to predict the Hildebrand solubility parameter. The MLR method is used to build a linear relationship between the molecular descriptors and the Hildebrand solubility parameter for these compounds. Then the LS-SVM method is utilized to construct the non-linear quantitative structure-activity relationship (QSAR) models. The results obtained using the LS-SVM method are then compared with those obtained for the MLR method; it was revealed that the LS-SVM model was much better than the MLR one. The root-mean-square errors of the training set and the test set for the LS-SVM model were 0.2912 and 0.2427, and the correlation coefficients were 0.9662 and 0.9518, respectively. This paper provides a new and effective method for predicting the Hildebrand solubility parameter for some polymers, and also reveals that the LS-SVM method can be used as a powerful chemometrics tool for the quantitative structure-property relationship (QSPR) studies.