Many Bayesian learning approaches to the multi-layer perceptron （MLP） parameter optimization have been proposed such as the extended Kalman filter （EKF）. This paper uses the unscented Kalman particle filter （UPF...Many Bayesian learning approaches to the multi-layer perceptron （MLP） parameter optimization have been proposed such as the extended Kalman filter （EKF）. This paper uses the unscented Kalman particle filter （UPF） to train the MLP in a self- organizing state space （SOSS） model. This involves forming augmented state vectors consisting of all parameters （the weights of the MLP） and outputs. The UPF is used to sequentially update the true system states and high dimensional parameters that are inherent to the SOSS moder for the MLP simultaneously. Simulation results show that the new method performs better than traditional optimization methods.展开更多
Based on the characteristics of atom types, Hall＇s electrotopological state indices （En） are calculated for 165 nonionic organic compounds. On the basis of the characteristics of substituent and conjugated matrix, ...Based on the characteristics of atom types, Hall＇s electrotopological state indices （En） are calculated for 165 nonionic organic compounds. On the basis of the characteristics of substituent and conjugated matrix, a novel molecular structure parameter （G） is defined and calculated for 165 molecules in this paper. En and G show good structural selectivity for organic molecules. G, a satisfactory relationship between bioconcentration factor （BCF） and En, is expressed as： 1gBCF = -0.283 ＋ 1.246G ＋ 0.079E42 ＋ 0.351E9- 0.063E17 （n＇ = 122, R = 0.967, F = 425.636, s = 0.394）, which could provide estimation and prediction for the lgBCF of nonionic organic chemicals. Furthermore, the model is examined to validate overall robustness with Jackknife tests, and the independent variables in model do not exist cross correlation with VIF. All these regression results show that the new parameter G and electrotopological state index have good rationality and efficiency. It is concluded that the En and G will be used widely in quantitative structure-property/activity relationship （QSPR/QSAR） research.展开更多
A Series of all-optical devices are proposed based on nonlinear excited-stateabsorption and working at non-resonant frequency. Experimental and theoretical results obtainedwith C_(60) and metal-organic materials using...A Series of all-optical devices are proposed based on nonlinear excited-stateabsorption and working at non-resonant frequency. Experimental and theoretical results obtainedwith C_(60) and metal-organic materials using ns and ps laser at 532nm are presented.展开更多
Spin-excited states in an asymmetric magnetic organic co-oligomer diode are investigated theoretically. The results demonstrate that the structural asymmetry of the co-oligomer is modulated by the spin-excited states,...Spin-excited states in an asymmetric magnetic organic co-oligomer diode are investigated theoretically. The results demonstrate that the structural asymmetry of the co-oligomer is modulated by the spin-excited states, which is embodied in the wave functions of the eigenstates as well as the spin density wave. By calculating the transport property, a robust spin-current rectification concomitant with a charge-current rectification is observed in all spin-excited states. However, the current through the diode is suppressed distinctly by the spin-excited states, while the rectification ratios may be reduced or enhanced depending on the bias and the excited spins. The intrinsic mechanism is analyzed from the spin-dependent trans- mission combined with the change of molecular eigenstates under bias. Finally, the temperature-induced spin excitation is simulated. Significant rectification behavior is obtained even at room temperature.展开更多
A novel hydrogen-bonded organic framework, HOF-TCPP(HOF = hydrogen bonded organic framework, TCPP = tetrakis(4-carboxyphenyl) porphyrin), has been synthesized via solvothermal reaction in ethylene glycol. Crystal stru...A novel hydrogen-bonded organic framework, HOF-TCPP(HOF = hydrogen bonded organic framework, TCPP = tetrakis(4-carboxyphenyl) porphyrin), has been synthesized via solvothermal reaction in ethylene glycol. Crystal structure was well determined by single-crystal X-ray diffraction and powder X-ray diffraction(PXRD). Topological analysis reveals that HOF-TCPP exhibits sql 2D layer and features 2D → 3D polycatenation. Fluorescence investigation shows that HOF-TCPP displays much higher photoluminescence(PL) intensity than the amorphous ligands TCPP, which can be ascribed to the crystalline structure and hydrogen bonds existing in the structure.展开更多
This paper utilizes the brightness-voltage waveform curve to investigate the primary electron in solid state cathodoluminescence. The results indicate that the primary electron is from the interface state of SiO2/MEH-...This paper utilizes the brightness-voltage waveform curve to investigate the primary electron in solid state cathodoluminescence. The results indicate that the primary electron is from the interface state of SiO2/MEH-PPV （Poly[2- methoxy-5-（2-ethylhexyloxy）-1,4-phenylenevinylene]） under the lower electric field which contributes to the 580-nm emission. With increasing the electric field, the 405-nm emission is obtained, and under this condition, the origin of the primary electron is mainly from tunneling.展开更多
Precessing ball solitons (PBS) in a ferromagnet during the first order phase transition induced by a magnetic field directed along the axis of anisotropy, while the additional action of high-frequency field perpendicu...Precessing ball solitons (PBS) in a ferromagnet during the first order phase transition induced by a magnetic field directed along the axis of anisotropy, while the additional action of high-frequency field perpendicular to the main magnetic field, are analyzed. It is shown that the spatial motion of solitons, associated with thermal fluctuations in the crystal, does not destroy the equilibrium of self-organized PBS.展开更多
基金supported by the National Natural Science Foundation of China(7092100160574058)+1 种基金the Key International Cooperation Programs of Hunan Provincial Science & Technology Department (2009WK2009)the General Program of Hunan Provincial Education Department(11C0023)
文摘Many Bayesian learning approaches to the multi-layer perceptron （MLP） parameter optimization have been proposed such as the extended Kalman filter （EKF）. This paper uses the unscented Kalman particle filter （UPF） to train the MLP in a self- organizing state space （SOSS） model. This involves forming augmented state vectors consisting of all parameters （the weights of the MLP） and outputs. The UPF is used to sequentially update the true system states and high dimensional parameters that are inherent to the SOSS moder for the MLP simultaneously. Simulation results show that the new method performs better than traditional optimization methods.
基金the State Key Laboratory of Pollution Control and Reuse of China Project Proposal (PCRRF07009)the University Natural Science Foundation of Jiangsu Province (05KJD150221)Natural Science Incubation Foundation of Xuzhou Normal University (05PLY04)
文摘Based on the characteristics of atom types, Hall＇s electrotopological state indices （En） are calculated for 165 nonionic organic compounds. On the basis of the characteristics of substituent and conjugated matrix, a novel molecular structure parameter （G） is defined and calculated for 165 molecules in this paper. En and G show good structural selectivity for organic molecules. G, a satisfactory relationship between bioconcentration factor （BCF） and En, is expressed as： 1gBCF = -0.283 ＋ 1.246G ＋ 0.079E42 ＋ 0.351E9- 0.063E17 （n＇ = 122, R = 0.967, F = 425.636, s = 0.394）, which could provide estimation and prediction for the lgBCF of nonionic organic chemicals. Furthermore, the model is examined to validate overall robustness with Jackknife tests, and the independent variables in model do not exist cross correlation with VIF. All these regression results show that the new parameter G and electrotopological state index have good rationality and efficiency. It is concluded that the En and G will be used widely in quantitative structure-property/activity relationship （QSPR/QSAR） research.
文摘A Series of all-optical devices are proposed based on nonlinear excited-stateabsorption and working at non-resonant frequency. Experimental and theoretical results obtainedwith C_(60) and metal-organic materials using ns and ps laser at 532nm are presented.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.10904084,10904083,and 11374195)the Excellent Young Scholars Research Fund of Shandong Normal University
文摘Spin-excited states in an asymmetric magnetic organic co-oligomer diode are investigated theoretically. The results demonstrate that the structural asymmetry of the co-oligomer is modulated by the spin-excited states, which is embodied in the wave functions of the eigenstates as well as the spin density wave. By calculating the transport property, a robust spin-current rectification concomitant with a charge-current rectification is observed in all spin-excited states. However, the current through the diode is suppressed distinctly by the spin-excited states, while the rectification ratios may be reduced or enhanced depending on the bias and the excited spins. The intrinsic mechanism is analyzed from the spin-dependent trans- mission combined with the change of molecular eigenstates under bias. Finally, the temperature-induced spin excitation is simulated. Significant rectification behavior is obtained even at room temperature.
基金Supported by “Strategic Priority Research Program” of the Chinese Academy of Sciences(No.XDB20000000)the National Natural Science Foundation of China(No.21871267 and 21561009)Hainan University Youth Fund Project(hdkyxj201715)
文摘A novel hydrogen-bonded organic framework, HOF-TCPP(HOF = hydrogen bonded organic framework, TCPP = tetrakis(4-carboxyphenyl) porphyrin), has been synthesized via solvothermal reaction in ethylene glycol. Crystal structure was well determined by single-crystal X-ray diffraction and powder X-ray diffraction(PXRD). Topological analysis reveals that HOF-TCPP exhibits sql 2D layer and features 2D → 3D polycatenation. Fluorescence investigation shows that HOF-TCPP displays much higher photoluminescence(PL) intensity than the amorphous ligands TCPP, which can be ascribed to the crystalline structure and hydrogen bonds existing in the structure.
基金Project supported by the Doctoral Foundation of University of Jinan (Grant No.XBS0845)the Key Laboratory of Luminescence and Optical Information (Beijing Jiaotong University)+2 种基金Ministry of Education,China (Grant No.2010LOI01)the Natural Science Foundation of Shandong Province,China (Grant Nos.Y2008A21 and SZR0704)the Scientific Research Foundation of the Education Department of Shandong Province,China (Grant No.J08LI12)
文摘This paper utilizes the brightness-voltage waveform curve to investigate the primary electron in solid state cathodoluminescence. The results indicate that the primary electron is from the interface state of SiO2/MEH-PPV （Poly[2- methoxy-5-（2-ethylhexyloxy）-1,4-phenylenevinylene]） under the lower electric field which contributes to the 580-nm emission. With increasing the electric field, the 405-nm emission is obtained, and under this condition, the origin of the primary electron is mainly from tunneling.
文摘Precessing ball solitons (PBS) in a ferromagnet during the first order phase transition induced by a magnetic field directed along the axis of anisotropy, while the additional action of high-frequency field perpendicular to the main magnetic field, are analyzed. It is shown that the spatial motion of solitons, associated with thermal fluctuations in the crystal, does not destroy the equilibrium of self-organized PBS.
