In order to analyze the influence rule of experimental parameters on the energy-absorption characteristics and effectively forecast energy-absorption characteristic of thin-walled structure, the forecast model of GA-B...In order to analyze the influence rule of experimental parameters on the energy-absorption characteristics and effectively forecast energy-absorption characteristic of thin-walled structure, the forecast model of GA-BP hybrid algorithm was presented by uniting respective applicability of back-propagation artificial neural network （BP-ANN） and genetic algorithm （GA）. The detailed process was as follows. Firstly, the GA trained the best weights and thresholds as the initial values of BP-ANN to initialize the neural network. Then, the BP-ANN after initialization was trained until the errors converged to the required precision. Finally, the network model, which met the requirements after being examined by the test samples, was applied to energy-absorption forecast of thin-walled cylindrical structure impacting. After example analysis, the GA-BP network model was trained until getting the desired network error only by 46 steps, while the single BP-ANN model achieved the same network error by 992 steps, which obviously shows that the GA-BP hybrid algorithm has faster convergence rate. The average relative forecast error （ARE） of the SEA predictive results obtained by GA-BP hybrid algorithm is 1.543%, while the ARE of the SEA predictive results obtained by BP-ANN is 2.950%, which clearly indicates that the forecast precision of the GA-BP hybrid algorithm is higher than that of the BP-ANN.展开更多
The quantitative structure-property relationship(QSPR) of anabolic androgenic steroids was studied on the half-wave reduction potential(E1/2) using quantum and physico-chemical molecular descriptors. The descriptors w...The quantitative structure-property relationship(QSPR) of anabolic androgenic steroids was studied on the half-wave reduction potential(E1/2) using quantum and physico-chemical molecular descriptors. The descriptors were calculated by semi-empirical calculations. Models were established using partial least square(PLS) regression and back-propagation artificial neural network(BP-ANN). The QSPR results indicate that the descriptors of these derivatives have significant relationship with half-wave reduction potential. The stability and prediction ability of these models were validated using leave-one-out cross-validation and external test set.展开更多
基金Project(50175110) supported by the National Natural Science Foundation of ChinaProject(2009bsxt019) supported by the Graduate Degree Thesis Innovation Foundation of Central South University, China
文摘In order to analyze the influence rule of experimental parameters on the energy-absorption characteristics and effectively forecast energy-absorption characteristic of thin-walled structure, the forecast model of GA-BP hybrid algorithm was presented by uniting respective applicability of back-propagation artificial neural network （BP-ANN） and genetic algorithm （GA）. The detailed process was as follows. Firstly, the GA trained the best weights and thresholds as the initial values of BP-ANN to initialize the neural network. Then, the BP-ANN after initialization was trained until the errors converged to the required precision. Finally, the network model, which met the requirements after being examined by the test samples, was applied to energy-absorption forecast of thin-walled cylindrical structure impacting. After example analysis, the GA-BP network model was trained until getting the desired network error only by 46 steps, while the single BP-ANN model achieved the same network error by 992 steps, which obviously shows that the GA-BP hybrid algorithm has faster convergence rate. The average relative forecast error （ARE） of the SEA predictive results obtained by GA-BP hybrid algorithm is 1.543%, while the ARE of the SEA predictive results obtained by BP-ANN is 2.950%, which clearly indicates that the forecast precision of the GA-BP hybrid algorithm is higher than that of the BP-ANN.
基金Project supported by the Postdoctoral Science Foundation of Central South University,ChinaProject(2015SK20823)supported by Science and Technology Project of Hunan Province,China+2 种基金Project(15A001)supported by Scientific Research Fund of Hunan Provincial Education Department,ChinaProject(CX2015B372)supported by Hunan Provincial Innovation Foundation for Postgraduate,ChinaProject supported by Innovation Experiment Program for University Students of Changsha University of Science and Technology,China
文摘The quantitative structure-property relationship(QSPR) of anabolic androgenic steroids was studied on the half-wave reduction potential(E1/2) using quantum and physico-chemical molecular descriptors. The descriptors were calculated by semi-empirical calculations. Models were established using partial least square(PLS) regression and back-propagation artificial neural network(BP-ANN). The QSPR results indicate that the descriptors of these derivatives have significant relationship with half-wave reduction potential. The stability and prediction ability of these models were validated using leave-one-out cross-validation and external test set.
