Advancing the integration of artificial intelligence and polymer science requires high-quality,open-source,and large-scale datasets.However,existing polymer databases often suffer from data sparsity,lack of polymer-pr...Advancing the integration of artificial intelligence and polymer science requires high-quality,open-source,and large-scale datasets.However,existing polymer databases often suffer from data sparsity,lack of polymer-property labels,and limited accessibility,hindering system-atic modeling across property prediction tasks.Here,we present OpenPoly,a curated experimental polymer database derived from extensive lit-erature mining and manual validation,comprising 3985 unique polymer-property data points spanning 26 key properties.We further develop a multi-task benchmarking framework that evaluates property prediction using four encoding methods and eight representative models.Our re-sults highlight that the optimized degree-of-polymerization encoding coupled with Morgan fingerprints achieves an optimal trade-off between computational cost and accuracy.In data-scarce condition,XGBoost outperforms deep learning models on key properties such as dielectric con-stant,glass transition temperature,melting point,and mechanical strength,achieving R2 scores of 0.65-0.87.To further showcase the practical utility of the database,we propose potential polymers for two energy-relevant applications:high temperature polymer dielectrics and fuel cell membranes.By offering a consistent and accessible benchmark and database,OpenPoly paves the way for more accurate polymer-property modeling and fosters data-driven advances in polymer genome engineering.展开更多
Conjugate gradient optimization algorithms depend on the search directions with different choices for the parameters in the search directions. In this note, by combining the nice numerical performance of PR and HS met...Conjugate gradient optimization algorithms depend on the search directions with different choices for the parameters in the search directions. In this note, by combining the nice numerical performance of PR and HS methods with the global convergence property of the class of conjugate gradient methods presented by HU and STOREY(1991), a class of new restarting conjugate gradient methods is presented. Global convergences of the new method with two kinds of common line searches, are proved. Firstly, it is shown that, using reverse modulus of continuity function and forcing function, the new method for solving unconstrained optimization can work for a continously dif ferentiable function with Curry-Altman's step size rule and a bounded level set. Secondly, by using comparing technique, some general convergence properties of the new method with other kind of step size rule are established. Numerical experiments show that the new method is efficient by comparing with FR conjugate gradient method.展开更多
We proposed </span><span style="font-family:Verdana;">“</span><span style="font-family:Verdana;">a new extension of three</span><span style="font-family:Verda...We proposed </span><span style="font-family:Verdana;">“</span><span style="font-family:Verdana;">a new extension of three</span><span style="font-family:Verdana;">-</span><span style="font-family:Verdana;">parametric distribution” called the inverse power two-parameter weighted Lindley (IPWL) distribution capable of modeling a upside-down bathtub hazard rate function. This distribution is studied to get basic structural properties such as reliability measures, moments, inverse moments and its related measures. Simulation studies </span><span style="font-family:Verdana;">are </span><span style="font-family:Verdana;">done to present the performance and behavior of maximum likelihood estimates of the IPWL distribution parameters. Finally, we perform goodness of fit measures and test statistics using a real data set to show the performance of the new distribution.展开更多
In this note,by combining the nice numerical performance of PR and HS methods with the global convergence property of FR method,a class of new restarting three terms conjugate gradient methods is presented.Global conv...In this note,by combining the nice numerical performance of PR and HS methods with the global convergence property of FR method,a class of new restarting three terms conjugate gradient methods is presented.Global convergence properties of the new method with two kinds of common line searches are proved.展开更多
As gravity field, magnetic field, electric field and seismic wave field are all physical fields, their object function, reverse function and compound function are certainly infinite continuously differentiable functio...As gravity field, magnetic field, electric field and seismic wave field are all physical fields, their object function, reverse function and compound function are certainly infinite continuously differentiable functions which can be expanded into Taylor (Fourier) series within domain of definition and be further reduced into solving stochastic distribution function of series and statistic inference of optimal approximation. This is the basis of combined gravity-magnetic-electric-seismic inversion of stochastic modeling. It is an uncertainty modeling technology of combining gravity-magnetic-electric-seismic inversion built on the basis of separation of field and source gravity-magnetic difference-value (D-value) trend surface, taking distribution-independent fault system as its unit, depths of seismic and electric interfaces of interests as its corresponding bivariate compound reverse function of gravity-magnetic anomalies and using high order polynomial (high order trigonometric function) approximating to its series distribution. The difference from current dominant inversion techniques is that, first, it does not respectively create gravity-seismic, magnetic-seismic deterministic inversion model from theoretical model, but combines gravity-magnetic-electric-seismic stochastic inversion model from stochastic model; second, after the concept of equivalent geological body being introduced, using feature of independent variable of gravity-magnetic field functions, taking density and susceptibility related to gravity-magnetic function as default parameters of model, the deterministic model is established owing to better solution to the contradiction of difficulty in identifying strata and less test analytical data for density and susceptibility in newly explored area; third, under assumption of independent parent distribution, a real modeling by strata, the problem of difficult plane closure arising in profile modeling is avoided. This technology has richer and more detailed fault and strata information than sparse pattern seismic data in newly explored area, successfully inverses and plots structural map of Indosinian discontinuity in Hefei basin with combined gravity-magnetic-electric-seismic inversion. With development of high precision gravity-magnetic and overall geophysical technology, it is certain for introducing new methods of stochastic modeling and computational intelligence and promoting the development of combined gravity-magnetic-electric-seismic inversion to open a new substantial path.展开更多
Conjugate gradient optimization algorithms depend on the search directions with different choices for the parameter in the search directions. In this note, conditions are given on the parameter in the conjugate gradie...Conjugate gradient optimization algorithms depend on the search directions with different choices for the parameter in the search directions. In this note, conditions are given on the parameter in the conjugate gradient directions to ensure the descent property of the search directions. Global convergence of such a class of methods is discussed. It is shown that, using reverse modulus of continuity function and forcing function, the new method for solving unconstrained optimization can work for a continuously differentiable function with a modification of the Curry-Altman's step-size rule and a bounded level set. Combining PR method with our new method, PR method is modified to have global convergence property.Numerical experiments show that the new methods are efficient by comparing with FR conjugate gradient method.展开更多
The paper explores the universal laws of codeswitching among the three language varieties,namely,English,the Standard Chinese,and dialects on the part of Chinese English teachers at tertiary level on the basis of the ...The paper explores the universal laws of codeswitching among the three language varieties,namely,English,the Standard Chinese,and dialects on the part of Chinese English teachers at tertiary level on the basis of the questionnaire data derived from thirty-one doctoral graduate teachers.The Chi-square test results confirm American sociolinguist J.Fishman's Domain Theory.However,the author holds that the theory should be revised when applied to the study of codeswitching by Chinese English teachers at tertiary level,the original church domain is to be deleted,a novel public affairs domain is to be added to.Meanwhile the author further points out that the SC acquires linguistically functional reversibility whereas English and dialects are functionally irreversible.Finally the.author interprets that the nature of codeswitching turns out the reestablishment of social situation attempting to bring about intended social status and distance to the interlocutors.展开更多
This paper reported a 25-year-old hospitalized woman complained of recurrent chest tightness and dyspnea for 3 months.The electrocardiogram showed pre-excitation and the echocardiogram showed left ventricular wall con...This paper reported a 25-year-old hospitalized woman complained of recurrent chest tightness and dyspnea for 3 months.The electrocardiogram showed pre-excitation and the echocardiogram showed left ventricular wall contraction reduced diffusely and moved asynchronously.In the systolic period,the regional septum basal segment moved to the right ventricle like an aneurysm.In cardiac magnetic resonance imaging examination,there was no significant myocardial fibrosis.The patient further had an endomyocardial biopsy and pathological examination showed nonspecific changes,only with mild interstitial edema.After an electrophysiological study,the patient was finally diagnosed with pre-excitation cardiomyopathy with a right anteroseptal para-hisian manifest accessory pathway.Radiofrequency catheter ablation was then performed to block the advanced pathway.6 months after ablation,the left ventricular systolic function and synchrony improved significantly,and the symptoms were alleviated.展开更多
This paper gives a full classification of Dembowski-Ostrom polynomials derived from the compositions of reversed Dickson polynomials and monomials over finite fields of characteristic 2.The authors also classify almos...This paper gives a full classification of Dembowski-Ostrom polynomials derived from the compositions of reversed Dickson polynomials and monomials over finite fields of characteristic 2.The authors also classify almost perfect nonlinear functions among all such Dembowski-Ostrom polynomials based on a general result describing when the composition of an arbitrary linearized polynomial and a monomial of the form x^(2+2^α) is almost perfect nonlinear.It turns out that almost perfect nonlinear functions derived from reversed Dickson polynomials are all extended affine equivalent to the well-known Gold functions.展开更多
基金financially supported by the National Natural Science Foundation of China (Nos. 92372126,52373203)the Excellent Young Scientists Fund Program
文摘Advancing the integration of artificial intelligence and polymer science requires high-quality,open-source,and large-scale datasets.However,existing polymer databases often suffer from data sparsity,lack of polymer-property labels,and limited accessibility,hindering system-atic modeling across property prediction tasks.Here,we present OpenPoly,a curated experimental polymer database derived from extensive lit-erature mining and manual validation,comprising 3985 unique polymer-property data points spanning 26 key properties.We further develop a multi-task benchmarking framework that evaluates property prediction using four encoding methods and eight representative models.Our re-sults highlight that the optimized degree-of-polymerization encoding coupled with Morgan fingerprints achieves an optimal trade-off between computational cost and accuracy.In data-scarce condition,XGBoost outperforms deep learning models on key properties such as dielectric con-stant,glass transition temperature,melting point,and mechanical strength,achieving R2 scores of 0.65-0.87.To further showcase the practical utility of the database,we propose potential polymers for two energy-relevant applications:high temperature polymer dielectrics and fuel cell membranes.By offering a consistent and accessible benchmark and database,OpenPoly paves the way for more accurate polymer-property modeling and fosters data-driven advances in polymer genome engineering.
文摘Conjugate gradient optimization algorithms depend on the search directions with different choices for the parameters in the search directions. In this note, by combining the nice numerical performance of PR and HS methods with the global convergence property of the class of conjugate gradient methods presented by HU and STOREY(1991), a class of new restarting conjugate gradient methods is presented. Global convergences of the new method with two kinds of common line searches, are proved. Firstly, it is shown that, using reverse modulus of continuity function and forcing function, the new method for solving unconstrained optimization can work for a continously dif ferentiable function with Curry-Altman's step size rule and a bounded level set. Secondly, by using comparing technique, some general convergence properties of the new method with other kind of step size rule are established. Numerical experiments show that the new method is efficient by comparing with FR conjugate gradient method.
文摘We proposed </span><span style="font-family:Verdana;">“</span><span style="font-family:Verdana;">a new extension of three</span><span style="font-family:Verdana;">-</span><span style="font-family:Verdana;">parametric distribution” called the inverse power two-parameter weighted Lindley (IPWL) distribution capable of modeling a upside-down bathtub hazard rate function. This distribution is studied to get basic structural properties such as reliability measures, moments, inverse moments and its related measures. Simulation studies </span><span style="font-family:Verdana;">are </span><span style="font-family:Verdana;">done to present the performance and behavior of maximum likelihood estimates of the IPWL distribution parameters. Finally, we perform goodness of fit measures and test statistics using a real data set to show the performance of the new distribution.
基金Supported by the National Natural Science Foundation of China（10571106） Supported by the Fundamental Research Funds for the Central Universities（10CX04044A）
文摘In this note,by combining the nice numerical performance of PR and HS methods with the global convergence property of FR method,a class of new restarting three terms conjugate gradient methods is presented.Global convergence properties of the new method with two kinds of common line searches are proved.
文摘As gravity field, magnetic field, electric field and seismic wave field are all physical fields, their object function, reverse function and compound function are certainly infinite continuously differentiable functions which can be expanded into Taylor (Fourier) series within domain of definition and be further reduced into solving stochastic distribution function of series and statistic inference of optimal approximation. This is the basis of combined gravity-magnetic-electric-seismic inversion of stochastic modeling. It is an uncertainty modeling technology of combining gravity-magnetic-electric-seismic inversion built on the basis of separation of field and source gravity-magnetic difference-value (D-value) trend surface, taking distribution-independent fault system as its unit, depths of seismic and electric interfaces of interests as its corresponding bivariate compound reverse function of gravity-magnetic anomalies and using high order polynomial (high order trigonometric function) approximating to its series distribution. The difference from current dominant inversion techniques is that, first, it does not respectively create gravity-seismic, magnetic-seismic deterministic inversion model from theoretical model, but combines gravity-magnetic-electric-seismic stochastic inversion model from stochastic model; second, after the concept of equivalent geological body being introduced, using feature of independent variable of gravity-magnetic field functions, taking density and susceptibility related to gravity-magnetic function as default parameters of model, the deterministic model is established owing to better solution to the contradiction of difficulty in identifying strata and less test analytical data for density and susceptibility in newly explored area; third, under assumption of independent parent distribution, a real modeling by strata, the problem of difficult plane closure arising in profile modeling is avoided. This technology has richer and more detailed fault and strata information than sparse pattern seismic data in newly explored area, successfully inverses and plots structural map of Indosinian discontinuity in Hefei basin with combined gravity-magnetic-electric-seismic inversion. With development of high precision gravity-magnetic and overall geophysical technology, it is certain for introducing new methods of stochastic modeling and computational intelligence and promoting the development of combined gravity-magnetic-electric-seismic inversion to open a new substantial path.
文摘Conjugate gradient optimization algorithms depend on the search directions with different choices for the parameter in the search directions. In this note, conditions are given on the parameter in the conjugate gradient directions to ensure the descent property of the search directions. Global convergence of such a class of methods is discussed. It is shown that, using reverse modulus of continuity function and forcing function, the new method for solving unconstrained optimization can work for a continuously differentiable function with a modification of the Curry-Altman's step-size rule and a bounded level set. Combining PR method with our new method, PR method is modified to have global convergence property.Numerical experiments show that the new methods are efficient by comparing with FR conjugate gradient method.
文摘The paper explores the universal laws of codeswitching among the three language varieties,namely,English,the Standard Chinese,and dialects on the part of Chinese English teachers at tertiary level on the basis of the questionnaire data derived from thirty-one doctoral graduate teachers.The Chi-square test results confirm American sociolinguist J.Fishman's Domain Theory.However,the author holds that the theory should be revised when applied to the study of codeswitching by Chinese English teachers at tertiary level,the original church domain is to be deleted,a novel public affairs domain is to be added to.Meanwhile the author further points out that the SC acquires linguistically functional reversibility whereas English and dialects are functionally irreversible.Finally the.author interprets that the nature of codeswitching turns out the reestablishment of social situation attempting to bring about intended social status and distance to the interlocutors.
文摘This paper reported a 25-year-old hospitalized woman complained of recurrent chest tightness and dyspnea for 3 months.The electrocardiogram showed pre-excitation and the echocardiogram showed left ventricular wall contraction reduced diffusely and moved asynchronously.In the systolic period,the regional septum basal segment moved to the right ventricle like an aneurysm.In cardiac magnetic resonance imaging examination,there was no significant myocardial fibrosis.The patient further had an endomyocardial biopsy and pathological examination showed nonspecific changes,only with mild interstitial edema.After an electrophysiological study,the patient was finally diagnosed with pre-excitation cardiomyopathy with a right anteroseptal para-hisian manifest accessory pathway.Radiofrequency catheter ablation was then performed to block the advanced pathway.6 months after ablation,the left ventricular systolic function and synchrony improved significantly,and the symptoms were alleviated.
基金supported by the National Basic Research Program of China under Grant No.2011CB302400
文摘This paper gives a full classification of Dembowski-Ostrom polynomials derived from the compositions of reversed Dickson polynomials and monomials over finite fields of characteristic 2.The authors also classify almost perfect nonlinear functions among all such Dembowski-Ostrom polynomials based on a general result describing when the composition of an arbitrary linearized polynomial and a monomial of the form x^(2+2^α) is almost perfect nonlinear.It turns out that almost perfect nonlinear functions derived from reversed Dickson polynomials are all extended affine equivalent to the well-known Gold functions.
