One of the main interests in the nutrition field is to estimate the distribution of usual nutrient in-take. Data from vitamin intake generally present high asymmetry mainly to the presence of outliers. This can occur ...One of the main interests in the nutrition field is to estimate the distribution of usual nutrient in-take. Data from vitamin intake generally present high asymmetry mainly to the presence of outliers. This can occur due to the variability of the diet and, in this case, robust estimation to get the distribution of the data can be required. Then, the aim of paper is to propose an alternative approach for estimating usual intake through asymmetric distributions with random effects applied to data set 10 vitamins obtained from a dietetic survey for 368 older people from Botucatu city, S?o Paulo, Brazil. In general, these asymmetric distributions include parameters related to mean, median, dispersion measures and such parameters provide good estimates for the intake distribution. In order to make some comparisons, a model fitted by National Cancer Institute (NCI) method with only for amount of nutrient intake was established using Akaike Information Criteria (AIC). NCI method is based on a Box-Cox transformation coupled with normal distribution but in case of asymmetric data, this transformation can be not useful. It was observed that, in the presence of outliers, the asymmetric models provided a better fit than the NCI method in the major of the cases. Then, these models can be an alternative method to estimate the distribution of nutrient intake mainly because a transformation for the data is no necessary and all the information can be obtained directly from the parameters.展开更多
The hidden Z2 symmetry of the asymmetric quantum Rabi model(AQRM)has recently been revealed via a systematic construction of the underlying symmetry operator.Based on the AQRM result,we propose an ansatz for the gener...The hidden Z2 symmetry of the asymmetric quantum Rabi model(AQRM)has recently been revealed via a systematic construction of the underlying symmetry operator.Based on the AQRM result,we propose an ansatz for the general form of the symmetry operators for AQRM-related models.Applying this ansatz we obtain the symmetry operator for three models:the anisotropic AQRM,the asymmetric Rabi–Stark model(ARSM),and the anisotropic ARSM.展开更多
This paper presents a new asymmetric hysteresis model and its application in the tracking control of piezoelectric actuators. The proposed model is based on a coupled-play operator which can avoid the conventional Pra...This paper presents a new asymmetric hysteresis model and its application in the tracking control of piezoelectric actuators. The proposed model is based on a coupled-play operator which can avoid the conventional Prandtl-Ishlinskii(CPI)model's defects, i.e., the symmetric property. The high accuracy for modeling asymmetric hysteresis is validated by comparing simulation results with experimental measurements. In order to further evaluate the performance of the proposed model in closed-loop tracking application, two different hybrid control methods which experimentally demonstrate their performance under the same operating conditions, are compared to validate that the hybrid control strategy with proposed hysteresis model can mitigate the hysteresis more effectively and achieve better tracking precision. The experimental results demonstrate that the proposed modeling and tracking control strategy can realize efficient control of piezoelectric actuator.展开更多
As an approach to the technological problem that the wind data of QuikSCAT scatterometer cannot accurately describe the zone of typhoon-level strong wind speed, some objective factors such as the typhoon moving speed,...As an approach to the technological problem that the wind data of QuikSCAT scatterometer cannot accurately describe the zone of typhoon-level strong wind speed, some objective factors such as the typhoon moving speed, direction and friction are introduced in this study to construct the asymmetric strengthening of the QuikSCAT wind field. Then by adopting a technology of four-dimensional data assimilation, an experiment that includes both the assimilation and forecasting phases is designed to simulate Typhoon Rananim numerically. The results show that with model constraints and adjustment, this technology can incorporate the QuikSCAT wind data to the entire column of the model atmosphere, improve greatly the simulating effects of the whole-column wind, pressure field and the track as well as the simulated typhoon intensity covered by the forecast phase, and work positively for the forecasting of landfall locations.展开更多
A theoretical model which couples the oscillation of cavitation bubbles with the equation of an acoustic wave is utilized to describe the sound fields in double-layer liquids, which can be used to realize the asymmetr...A theoretical model which couples the oscillation of cavitation bubbles with the equation of an acoustic wave is utilized to describe the sound fields in double-layer liquids, which can be used to realize the asymmetric transmission of acoustic waves. Numerical simulations show that the asymmetry is related to the properties of the host liquids and the input acoustic wave. Asymmetry can be enhanced if the maximum number density or the ambient radius of the cavitation bubbles in the low cavitation threshold liquid increases. Moreover, the direction of rectification will be reversed if the amplitude of the input acoustic wave becomes high enough.展开更多
Partial pressure, system vibration and asymmetric system dynamic performance exit in asymmetric cylinder controller by symmetric valve hydraulic system. To solve this problem in the force control system, model referen...Partial pressure, system vibration and asymmetric system dynamic performance exit in asymmetric cylinder controller by symmetric valve hydraulic system. To solve this problem in the force control system, model reference adaptive controller is designed using equilibrium point stability theory and output error equation polynomial. The reference model is selected in such a way that it meets the system dynamic performance. Hardware configuration of asymmetric cylinder controlled by asymmetric valve hydraulic system is replaced by intelligent control algorithm, thus the cost is lowered and easy to application. Simulation results demonstrate that the proposed adaptive control sheme has good adaptive ability and well solves asymmetric dynamic performance problem. The designed adaptive controller is fairly robust to load disturbance and system parameter variation.展开更多
The stability of the tunnel portal slope is crucial for ensuring safe tunnel construction.Thus,a sound stability evaluation is of significance.Given the unique geological characteristics of tunnel portal slopes,it is ...The stability of the tunnel portal slope is crucial for ensuring safe tunnel construction.Thus,a sound stability evaluation is of significance.Given the unique geological characteristics of tunnel portal slopes,it is necessary to establish a specific evaluation indicator system that differs from those used for ordinary slopes.Based on the unascertained measure method,uncertainties in the indicator are addressed by introducing the left and right half cloud asymmetric cloud model to optimize the linear membership function.The subjectivity of confidence criterion level identification is also improved by using the Euclidean distance method.Thus,a stability evaluation model for the tunnel portal slope is established based on the improved unascertained measure method.Finally,using the collected tunnel portal slope data,the results of four evaluation methods are compared with the safety factor levels.The evaluation methods include the traditional unascertained measure method,the method improved by using the left and right half cloud asymmetric cloud model,the method improved by using the Euclidean distance method,and the method improved by using both the left and right half cloud asymmetric cloud model and the Euclidean distance method.The results show that the accuracy rates of these four methods are 50%,55%,85%,and 90%,respectively.Among them,the joint improvement method has the slightest deviation,with only one level,while the other three methods had deviations of two levels.This result verifies the stability and effectiveness of the joint improvement method,providing a reference for tunnel portal slope stability evaluation.展开更多
The analysis of bending in finishing rolling was performed. An asymmetrical rolling force model was established, and the upper and lower neutral points were determined. Thc bending which resulted from the asymmetrical...The analysis of bending in finishing rolling was performed. An asymmetrical rolling force model was established, and the upper and lower neutral points were determined. Thc bending which resulted from the asymmetrical rolling force at the roll gap was studied and related flexibility equations were proposed according to elastic mechanics. Moreover, material mechanics was used to analyze the effects of temperature difference and self-weight on the bending out of the roll gap, and the flexibility equations were constructed. The main factors on bending were summed up, and the bending rule in the rolling could be obtained. In addition practical calculation was made with the production data of ribbon steel from Laiwu Iron ＆ Steel Group Co. Ltd.展开更多
Wind power forecasting is of great significance to the safety, reliability and stability of power grid. In this study, the GARCH type models are employed to explore the asymmetric features of wind power time series an...Wind power forecasting is of great significance to the safety, reliability and stability of power grid. In this study, the GARCH type models are employed to explore the asymmetric features of wind power time series and improved forecasting precision. Benchmark Symmetric Curve (BSC) and Asymmetric Curve Index (ACI) are proposed as new asymmetric volatility analytical tool, and several generalized applications are presented. In the case study, the utility of the GARCH-type models in depicting time-varying volatility of wind power time series is demonstrated with the asymmetry effect, verified by the asymmetric parameter estimation. With benefit of the enhanced News Impact Curve (NIC) analysis, the responses in volatility to the magnitude and the sign of shocks are emphasized. The results are all confirmed to be consistent despite varied model specifications. The case study verifies that the models considering the asymmetric effect of volatility benefit the wind power forecasting performance.展开更多
A new geometric asymmetric model for predicting the thermodynamic properties of ternary system from three sub-binaries is presented in this paper.Its analytical expression with good calculating ac- curacy is most simp...A new geometric asymmetric model for predicting the thermodynamic properties of ternary system from three sub-binaries is presented in this paper.Its analytical expression with good calculating ac- curacy is most simple in all asymmetric models.The new model was applied to predict the enthalpies of mixing of the Bi-Ga-Sn.Au-Ag-Sn and NaCl-KCl-CaCl_2 ternary systems which were in good agreements with experimental data.Based on thermodynamic principles,the importance of the choice of asymmetric component is also discussed.The error analysis indicates that in the case of judging the asymmetric component in ternary system according to the thermodynamic criterion the deviation is minimum.It is of great significance to improve the calculating accuracy for predicting thermodynamic properties of ternary solution phase from the sub-binary ones.展开更多
This paper discusses the model construction and the association between the Italy and the Germany＇s stock markets. The period of study data is from January 3, 2000 to June 30, 2008. This paper also utilizes Student＇...This paper discusses the model construction and the association between the Italy and the Germany＇s stock markets. The period of study data is from January 3, 2000 to June 30, 2008. This paper also utilizes Student＇s t distribution to analyze the proposed model. The empirical results show that the two stock markets are mutually affected each other, and the dynamic conditional correlation （DCC） and the bivariate asymmetric-GARCH （1, 2） model is appropriate in evaluating the relation between them. The empirical result also indicates that Italy and Germany＇s stock markets show a positive relationship. The average value of correlation coefficient equals to 0.8424, which implies that the two stock markets return volatility have a synchronized influence on each other. In addition, the empirical result also shows that there is an asymmetrical effect between Italy and the Germany＇s stock markets, and demonstrates that the good news and bad news of the stock returns＇ volatility will produce the different variation risks for Italy and the Germany＇s stock price markets.展开更多
An isoratio method is proposed to study the chemical potential of neutrons(protons) from the yield ratio of isotopes(isotones) differing in neutron-excess(I = N- Z). The measured fragments in the 140 A MeV ^(40),^(48)...An isoratio method is proposed to study the chemical potential of neutrons(protons) from the yield ratio of isotopes(isotones) differing in neutron-excess(I = N- Z). The measured fragments in the 140 A MeV ^(40),^(48) Ca and^(58),^(64) Ni +~9Be reactions, as well as those in the simulated^(58),^(64) Ni +~9Be reactions by using the antisymmetric molecular dynamics(AMD) model plus the secondary decay model gemini, have been adopted to perform the isoratio analysis.The results of the isoratio method verify that they are similar to that of the well known isoscaling method. The isoratio scaling phenomenon suggested by the isoratio method has also been found in the measured data and the fragments simulated by the AMD + gemini models.展开更多
Developing highly efficient and enantioselective reactions and understanding their mechanism are highly attractive.As the solvent molecules and counterions interact with the central metal in which the chiral environme...Developing highly efficient and enantioselective reactions and understanding their mechanism are highly attractive.As the solvent molecules and counterions interact with the central metal in which the chiral environment of the active site is very complicated during the reaction,the origin of many organometallic catalytic reactions such as Cu(II)/TOX[TOX:trisoxazoline]catalyzed Friedel–Crafts reaction remains elusive despite years of investigation both by experiments and theoretical calculations.Here,to the best of our knowledge,we employed a machine learning(ML)-based global potential energy exploration approach for the first time and combined it with control experiments to resolve the origin of asymmetric induction.By exploring thousands of likely transition state(TS)configurations,we revised the previous coordination mode of Cu(II)catalyst proposed in the Friedel–Crafts alkylation,where both the side-arm and the trifluoromethanesulfonate anion(OTf^(−))coordinated weakly with Cu(II)at the enantio-determining step.The dynamic coordination of the side-arm and the OTf−introduced a rich variation of the coordination environment in different solvents,leading to the variation in ee values.With the designed control experiments,we further confirmed the theoretical model,and thus,proved the immense potential of ML-atomic simulations in unraveling the catalytic intrinsic essence of structurally complex systems in organic chemistry.展开更多
A systematic study of the product（（E（22^＋）/E（21^＋））＊B（E2）↑） is carried out in the major shell space Z=50-82,N=82-126 within the framework of the asymmetric rotor model where the asymmetry parameter γ0re...A systematic study of the product（（E（22^＋）/E（21^＋））＊B（E2）↑） is carried out in the major shell space Z=50-82,N=82-126 within the framework of the asymmetric rotor model where the asymmetry parameter γ0reflects change in the nuclear structure.A systematic study of the product（（E（2^＋）/E（2^＋））＊B（E2）↑） with neutron number N is also discussed.The product（（E（22^＋）/E（21^＋））＊B（E2）↑） provides a direct correlation with the asymmetry parameter γ0.The effect of subshells is visible in Ba-Gd nuclei with N 〉 82,but not in Hf-Pt nuclei with N 〉 104.We study,for the first time,the dependency of the product（（E（22^＋）/E（21^＋））＊B（E2）↑） on the asymmetry parameterγ0.展开更多
Quantile regression is widely used in variable relationship research for statistical learning.Traditional quantile regression model is based on vector-valued covariates and can be efficiently estimated via traditional...Quantile regression is widely used in variable relationship research for statistical learning.Traditional quantile regression model is based on vector-valued covariates and can be efficiently estimated via traditional estimation methods.However,many modern applications involve tensor data with the intrinsic tensor structure.Traditional quantile regression can not deal with tensor regression issues well.To this end,we consider a tensor quantile regression with tensor-valued covariates and develop a novel variational Bayesian estimation approach to make estimation and prediction based on the asymmetric Laplace model and the CANDECOMP/PARAFAC decomposition of tensor coefficients.To incorporate the sparsity of tensor coefficients,we consider the multiway shrinkage priors for marginal factor vectors of tensor coefficients.The key idea of the proposed method is to efficiently combine the prior structural information of tensor and utilize the matricization of tensor decomposition to simplify the complexity of tensor coefficient estimation.The coordinate ascent algorithm is employed to optimize variational lower bound.Simulation studies and a real example show the numerical performances of the proposed method.展开更多
Ultra-broadband,intense,coherent terahertz(THz)radiation can be generated,detected,and manipulated using laser-induced gas or liquid plasma as both the THz wave transmitter and detector,with a frequency coverage spann...Ultra-broadband,intense,coherent terahertz(THz)radiation can be generated,detected,and manipulated using laser-induced gas or liquid plasma as both the THz wave transmitter and detector,with a frequency coverage spanning across and beyond the whole THz gap."Such a research topic is termed plasma-based THz wave photonics in gas and liquid phases."In this paper,we review the most important experimental and theoretical works of the topic in the non-relativistic region with pump laser intensity below 1018 W/cm^(2).展开更多
文摘One of the main interests in the nutrition field is to estimate the distribution of usual nutrient in-take. Data from vitamin intake generally present high asymmetry mainly to the presence of outliers. This can occur due to the variability of the diet and, in this case, robust estimation to get the distribution of the data can be required. Then, the aim of paper is to propose an alternative approach for estimating usual intake through asymmetric distributions with random effects applied to data set 10 vitamins obtained from a dietetic survey for 368 older people from Botucatu city, S?o Paulo, Brazil. In general, these asymmetric distributions include parameters related to mean, median, dispersion measures and such parameters provide good estimates for the intake distribution. In order to make some comparisons, a model fitted by National Cancer Institute (NCI) method with only for amount of nutrient intake was established using Akaike Information Criteria (AIC). NCI method is based on a Box-Cox transformation coupled with normal distribution but in case of asymmetric data, this transformation can be not useful. It was observed that, in the presence of outliers, the asymmetric models provided a better fit than the NCI method in the major of the cases. Then, these models can be an alternative method to estimate the distribution of nutrient intake mainly because a transformation for the data is no necessary and all the information can be obtained directly from the parameters.
基金the Australian Research Council(Grant Nos.DP170104934 and DP1801010)。
文摘The hidden Z2 symmetry of the asymmetric quantum Rabi model(AQRM)has recently been revealed via a systematic construction of the underlying symmetry operator.Based on the AQRM result,we propose an ansatz for the general form of the symmetry operators for AQRM-related models.Applying this ansatz we obtain the symmetry operator for three models:the anisotropic AQRM,the asymmetric Rabi–Stark model(ARSM),and the anisotropic ARSM.
基金supported by the National Natural Science Foundation of China(51505133,61108038)the Doctoral Science Foundation of Henan Polytechnic University(60407/010)Chunhui Program of Ministry of Education of China(Z2011069)
文摘This paper presents a new asymmetric hysteresis model and its application in the tracking control of piezoelectric actuators. The proposed model is based on a coupled-play operator which can avoid the conventional Prandtl-Ishlinskii(CPI)model's defects, i.e., the symmetric property. The high accuracy for modeling asymmetric hysteresis is validated by comparing simulation results with experimental measurements. In order to further evaluate the performance of the proposed model in closed-loop tracking application, two different hybrid control methods which experimentally demonstrate their performance under the same operating conditions, are compared to validate that the hybrid control strategy with proposed hysteresis model can mitigate the hysteresis more effectively and achieve better tracking precision. The experimental results demonstrate that the proposed modeling and tracking control strategy can realize efficient control of piezoelectric actuator.
基金National Key Fundamental Research and Development Plan of China (2004CB418301)Natural Science Foundation of China (40830958)
文摘As an approach to the technological problem that the wind data of QuikSCAT scatterometer cannot accurately describe the zone of typhoon-level strong wind speed, some objective factors such as the typhoon moving speed, direction and friction are introduced in this study to construct the asymmetric strengthening of the QuikSCAT wind field. Then by adopting a technology of four-dimensional data assimilation, an experiment that includes both the assimilation and forecasting phases is designed to simulate Typhoon Rananim numerically. The results show that with model constraints and adjustment, this technology can incorporate the QuikSCAT wind data to the entire column of the model atmosphere, improve greatly the simulating effects of the whole-column wind, pressure field and the track as well as the simulated typhoon intensity covered by the forecast phase, and work positively for the forecasting of landfall locations.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11334005,11574150 and 11564006
文摘A theoretical model which couples the oscillation of cavitation bubbles with the equation of an acoustic wave is utilized to describe the sound fields in double-layer liquids, which can be used to realize the asymmetric transmission of acoustic waves. Numerical simulations show that the asymmetry is related to the properties of the host liquids and the input acoustic wave. Asymmetry can be enhanced if the maximum number density or the ambient radius of the cavitation bubbles in the low cavitation threshold liquid increases. Moreover, the direction of rectification will be reversed if the amplitude of the input acoustic wave becomes high enough.
文摘Partial pressure, system vibration and asymmetric system dynamic performance exit in asymmetric cylinder controller by symmetric valve hydraulic system. To solve this problem in the force control system, model reference adaptive controller is designed using equilibrium point stability theory and output error equation polynomial. The reference model is selected in such a way that it meets the system dynamic performance. Hardware configuration of asymmetric cylinder controlled by asymmetric valve hydraulic system is replaced by intelligent control algorithm, thus the cost is lowered and easy to application. Simulation results demonstrate that the proposed adaptive control sheme has good adaptive ability and well solves asymmetric dynamic performance problem. The designed adaptive controller is fairly robust to load disturbance and system parameter variation.
基金supported by the National Natural Science Foundation of China(Grant No.42377191,42072300)“The 14th Five Year Plan”Hubei Provincial advantaged characteristic disciplines(groups)project of Wuhan University of Science and Technology(Grant No.2023A0303).
文摘The stability of the tunnel portal slope is crucial for ensuring safe tunnel construction.Thus,a sound stability evaluation is of significance.Given the unique geological characteristics of tunnel portal slopes,it is necessary to establish a specific evaluation indicator system that differs from those used for ordinary slopes.Based on the unascertained measure method,uncertainties in the indicator are addressed by introducing the left and right half cloud asymmetric cloud model to optimize the linear membership function.The subjectivity of confidence criterion level identification is also improved by using the Euclidean distance method.Thus,a stability evaluation model for the tunnel portal slope is established based on the improved unascertained measure method.Finally,using the collected tunnel portal slope data,the results of four evaluation methods are compared with the safety factor levels.The evaluation methods include the traditional unascertained measure method,the method improved by using the left and right half cloud asymmetric cloud model,the method improved by using the Euclidean distance method,and the method improved by using both the left and right half cloud asymmetric cloud model and the Euclidean distance method.The results show that the accuracy rates of these four methods are 50%,55%,85%,and 90%,respectively.Among them,the joint improvement method has the slightest deviation,with only one level,while the other three methods had deviations of two levels.This result verifies the stability and effectiveness of the joint improvement method,providing a reference for tunnel portal slope stability evaluation.
文摘The analysis of bending in finishing rolling was performed. An asymmetrical rolling force model was established, and the upper and lower neutral points were determined. Thc bending which resulted from the asymmetrical rolling force at the roll gap was studied and related flexibility equations were proposed according to elastic mechanics. Moreover, material mechanics was used to analyze the effects of temperature difference and self-weight on the bending out of the roll gap, and the flexibility equations were constructed. The main factors on bending were summed up, and the bending rule in the rolling could be obtained. In addition practical calculation was made with the production data of ribbon steel from Laiwu Iron ＆ Steel Group Co. Ltd.
基金funded by National Natural Science Foundation of China (51577025).
文摘Wind power forecasting is of great significance to the safety, reliability and stability of power grid. In this study, the GARCH type models are employed to explore the asymmetric features of wind power time series and improved forecasting precision. Benchmark Symmetric Curve (BSC) and Asymmetric Curve Index (ACI) are proposed as new asymmetric volatility analytical tool, and several generalized applications are presented. In the case study, the utility of the GARCH-type models in depicting time-varying volatility of wind power time series is demonstrated with the asymmetry effect, verified by the asymmetric parameter estimation. With benefit of the enhanced News Impact Curve (NIC) analysis, the responses in volatility to the magnitude and the sign of shocks are emphasized. The results are all confirmed to be consistent despite varied model specifications. The case study verifies that the models considering the asymmetric effect of volatility benefit the wind power forecasting performance.
文摘A new geometric asymmetric model for predicting the thermodynamic properties of ternary system from three sub-binaries is presented in this paper.Its analytical expression with good calculating ac- curacy is most simple in all asymmetric models.The new model was applied to predict the enthalpies of mixing of the Bi-Ga-Sn.Au-Ag-Sn and NaCl-KCl-CaCl_2 ternary systems which were in good agreements with experimental data.Based on thermodynamic principles,the importance of the choice of asymmetric component is also discussed.The error analysis indicates that in the case of judging the asymmetric component in ternary system according to the thermodynamic criterion the deviation is minimum.It is of great significance to improve the calculating accuracy for predicting thermodynamic properties of ternary solution phase from the sub-binary ones.
文摘This paper discusses the model construction and the association between the Italy and the Germany＇s stock markets. The period of study data is from January 3, 2000 to June 30, 2008. This paper also utilizes Student＇s t distribution to analyze the proposed model. The empirical results show that the two stock markets are mutually affected each other, and the dynamic conditional correlation （DCC） and the bivariate asymmetric-GARCH （1, 2） model is appropriate in evaluating the relation between them. The empirical result also indicates that Italy and Germany＇s stock markets show a positive relationship. The average value of correlation coefficient equals to 0.8424, which implies that the two stock markets return volatility have a synchronized influence on each other. In addition, the empirical result also shows that there is an asymmetrical effect between Italy and the Germany＇s stock markets, and demonstrates that the good news and bad news of the stock returns＇ volatility will produce the different variation risks for Italy and the Germany＇s stock price markets.
基金Supported by the Program for Science and Technology Innovation Talents in Universities of Henan Province under Grant No.13HASTIT046
文摘An isoratio method is proposed to study the chemical potential of neutrons(protons) from the yield ratio of isotopes(isotones) differing in neutron-excess(I = N- Z). The measured fragments in the 140 A MeV ^(40),^(48) Ca and^(58),^(64) Ni +~9Be reactions, as well as those in the simulated^(58),^(64) Ni +~9Be reactions by using the antisymmetric molecular dynamics(AMD) model plus the secondary decay model gemini, have been adopted to perform the isoratio analysis.The results of the isoratio method verify that they are similar to that of the well known isoscaling method. The isoratio scaling phenomenon suggested by the isoratio method has also been found in the measured data and the fragments simulated by the AMD + gemini models.
基金the National Science Foundation of China(grant nos.12188101,22033003,91745201,and 91945301)the Fundamental Research Funds for the Central Universities,China(grant no.20720220011)+3 种基金the National Key Research and Development Program of China(grant no.2018YFA0208600)Science and Technology Commission of Shanghai Municipality,China(grant no.23JC1404500)the Strategic Priority Research Program of the Chinese Academy of Sciences(grant no.XDB0610000)the Tencent Foundation for XPLORER PRIZE,Beijing,China.
文摘Developing highly efficient and enantioselective reactions and understanding their mechanism are highly attractive.As the solvent molecules and counterions interact with the central metal in which the chiral environment of the active site is very complicated during the reaction,the origin of many organometallic catalytic reactions such as Cu(II)/TOX[TOX:trisoxazoline]catalyzed Friedel–Crafts reaction remains elusive despite years of investigation both by experiments and theoretical calculations.Here,to the best of our knowledge,we employed a machine learning(ML)-based global potential energy exploration approach for the first time and combined it with control experiments to resolve the origin of asymmetric induction.By exploring thousands of likely transition state(TS)configurations,we revised the previous coordination mode of Cu(II)catalyst proposed in the Friedel–Crafts alkylation,where both the side-arm and the trifluoromethanesulfonate anion(OTf^(−))coordinated weakly with Cu(II)at the enantio-determining step.The dynamic coordination of the side-arm and the OTf−introduced a rich variation of the coordination environment in different solvents,leading to the variation in ee values.With the designed control experiments,we further confirmed the theoretical model,and thus,proved the immense potential of ML-atomic simulations in unraveling the catalytic intrinsic essence of structurally complex systems in organic chemistry.
文摘A systematic study of the product（（E（22^＋）/E（21^＋））＊B（E2）↑） is carried out in the major shell space Z=50-82,N=82-126 within the framework of the asymmetric rotor model where the asymmetry parameter γ0reflects change in the nuclear structure.A systematic study of the product（（E（2^＋）/E（2^＋））＊B（E2）↑） with neutron number N is also discussed.The product（（E（22^＋）/E（21^＋））＊B（E2）↑） provides a direct correlation with the asymmetry parameter γ0.The effect of subshells is visible in Ba-Gd nuclei with N 〉 82,but not in Hf-Pt nuclei with N 〉 104.We study,for the first time,the dependency of the product（（E（22^＋）/E（21^＋））＊B（E2）↑） on the asymmetry parameterγ0.
基金Supported by National Key R&D Program of China(Grant No.102022YFA1003701)National Natural Science Foundation of China(Grant No.12271472,12231017,12001479)Natural Science Foundation of Yunnan Province(Grant No.202101AU070073,202201AT070101)。
文摘Quantile regression is widely used in variable relationship research for statistical learning.Traditional quantile regression model is based on vector-valued covariates and can be efficiently estimated via traditional estimation methods.However,many modern applications involve tensor data with the intrinsic tensor structure.Traditional quantile regression can not deal with tensor regression issues well.To this end,we consider a tensor quantile regression with tensor-valued covariates and develop a novel variational Bayesian estimation approach to make estimation and prediction based on the asymmetric Laplace model and the CANDECOMP/PARAFAC decomposition of tensor coefficients.To incorporate the sparsity of tensor coefficients,we consider the multiway shrinkage priors for marginal factor vectors of tensor coefficients.The key idea of the proposed method is to efficiently combine the prior structural information of tensor and utilize the matricization of tensor decomposition to simplify the complexity of tensor coefficient estimation.The coordinate ascent algorithm is employed to optimize variational lower bound.Simulation studies and a real example show the numerical performances of the proposed method.
基金supported by the National Natural Science Foundation of China(Nos.62075157,61875151,and 62235013)Tianjin Municipal Fund for Distinguished Young Scholars(No.20JCJQJC00190)+3 种基金Key Fund of Shenzhen Natural Science Foundation(No.JCYJ20200109150212515)National Key Research and Development Program of China(No.2017YFA0701000)Prof.Xi-Cheng Zhang in The Institute of Optics at University of Rochester has support from the Air Force Office of Scientific Research(Nos.FA9550-21-1-0389 and FA9550-21-1-0300)the National Science Foundation(No.ECCS-2152081).
文摘Ultra-broadband,intense,coherent terahertz(THz)radiation can be generated,detected,and manipulated using laser-induced gas or liquid plasma as both the THz wave transmitter and detector,with a frequency coverage spanning across and beyond the whole THz gap."Such a research topic is termed plasma-based THz wave photonics in gas and liquid phases."In this paper,we review the most important experimental and theoretical works of the topic in the non-relativistic region with pump laser intensity below 1018 W/cm^(2).
