This paper is devoted to the Polynomial Preserving Recovery (PPR) based a posteriori error analysis for the second-order elliptic non-symmetric eigenvalue problem. An asymptotically exact a posteriori error estimator ...This paper is devoted to the Polynomial Preserving Recovery (PPR) based a posteriori error analysis for the second-order elliptic non-symmetric eigenvalue problem. An asymptotically exact a posteriori error estimator is proposed for solving the convection-dominated non-symmetric eigenvalue problem with non-smooth eigenfunctions or multiple eigenvalues. Numerical examples confirm our theoretical analysis.展开更多
In this paper,we propose and analyze two second-order accurate finite difference schemes for the one-dimensional heat equation with concentrated capacity on a computa-tional domain=[a,b].We first transform the target ...In this paper,we propose and analyze two second-order accurate finite difference schemes for the one-dimensional heat equation with concentrated capacity on a computa-tional domain=[a,b].We first transform the target equation into the standard heat equation on the domain excluding the singular point equipped with an inner interface matching(IIM)condition on the singular point x=ξ∈(a,b),then adopt Taylor’s ex-pansion to approximate the IIM condition at the singular point and apply second-order finite difference method to approximate the standard heat equation at the nonsingular points.This discrete procedure allows us to choose different grid sizes to partition the two sub-domains[a,ξ]and[ξ,b],which ensures that x=ξ is a grid point,and hence the pro-posed schemes can be generalized to the heat equation with more than one concentrated capacities.We prove that the two proposed schemes are uniquely solvable.And through in-depth analysis of the local truncation errors,we rigorously prove that the two schemes are second-order accurate both in temporal and spatial directions in the maximum norm without any constraint on the grid ratio.Numerical experiments are carried out to verify our theoretical conclusions.展开更多
Due to the inability of manufacturing a single monolithic mirror at the 10-meter scales,segmented mirrors have become indispensable tools in modern astronomical research.However,to match the imaging performance of the...Due to the inability of manufacturing a single monolithic mirror at the 10-meter scales,segmented mirrors have become indispensable tools in modern astronomical research.However,to match the imaging performance of the monolithic counterpart,the sub-mirrors must maintain precise co-phasing.Piston error critically degrades segmented mirror imaging quality,necessitating efficient and precise detection.To ad-dress the limitations that the conventional circular-aperture diffraction with two-wavelength algorithm is sus-ceptible to decentration errors,and the traditional convolutional neural networks(CNNs)struggle to capture global features under large-range piston errors due to their restricted local receptive fields,this paper pro-poses a method that integrates extended Young’s interference principles with a Vision Transformer(ViT)to detect piston error.By suppressing decentration error interference through two symmetrically arranged aper-tures and extending the measurement range to±7.95μm via a two-wavelength(589 nm/600 nm)algorithm.This approach exploits ViT’s self-attention mechanism to model global characteristics of interference fringes.Unlike CNNs constrained by local convolutional kernels,the ViT significantly improves sensitivity to inter-ferogram periodicity.The simulation results demonstrate that the proposed method achieves a measurement accuracy of 5 nm(0.0083λ0)across the range of±7.95μm,while maintaining an accuracy exceeding 95%in the presence of Gaussian noise(SNR≥15 dB),Poisson noise(λ≥9 photons/pixel),and sub-mirror gap er-ror(Egap≤0.2)interference.Moreover,the detection speed shows significant improvement compared to the cross-correlation algorithm.This study establishes an accurate,robust framework for segmented mirror error detection,advancing high-precision astronomical observation.展开更多
This study presents a comprehensive evaluation of tropical cyclone(TC)forecast performance in the western North Pacific from 2013 to 2022,based on operational forecasts issued by the China Meteorological Administratio...This study presents a comprehensive evaluation of tropical cyclone(TC)forecast performance in the western North Pacific from 2013 to 2022,based on operational forecasts issued by the China Meteorological Administration.The analysis reveals systematic improvements in both track and intensity forecasts over the decade,with distinct error characteristics observed across various forecast parameters.Track forecast errors have steadily decreased,particularly for longer lead times,while error magnitudes have increased with longer forecast lead times.Intensity forecasts show similar progressive enhancements,with maximum sustained wind speed errors decreasing by 0.26 m/s per year for 120 h forecasts.The study also identifies several key patterns in forecast performance:typhoon-grade or stronger TCs exhibit smaller track errors than week or weaker systems;intensity forecasts systematically overestimate weaker TCs while underestimating stronger systems;and spatial error distributions show greater track inaccuracies near landmasses and regional intensity biases.These findings highlight both the significant advances in TC forecasting capability achieved through improved modeling and observational systems,and the remaining challenges in predicting TC changes and landfall behavior,providing valuable benchmarks for future forecast system development.展开更多
AIM:To evaluate the efficacy of the total computer vision syndrome questionnaire(CVS-Q)score as a predictive tool for identifying individuals with symptomatic binocular vision anomalies and refractive errors.METHODS:A...AIM:To evaluate the efficacy of the total computer vision syndrome questionnaire(CVS-Q)score as a predictive tool for identifying individuals with symptomatic binocular vision anomalies and refractive errors.METHODS:A total of 141 healthy computer users underwent comprehensive clinical visual function assessments,including evaluations of refractive errors,accommodation(amplitude of accommodation,positive relative accommodation,negative relative accommodation,accommodative accuracy,and accommodative facility),and vergence(phoria,positive and negative fusional vergence,near point of convergence,and vergence facility).Total CVS-Q scores were recorded to explore potential associations between symptom scores and the aforementioned clinical visual function parameters.RESULTS:The cohort included 54 males(38.3%)with a mean age of 23.9±0.58y and 87 age-matched females(61.7%)with a mean age of 23.9±0.53y.The multiple regression model was statistically significant[R²=0.60,F=13.28,degrees of freedom(DF=17122,P<0.001].This indicates that 60%of the variance in total CVS-Q scores(reflecting reported symptoms)could be explained by four clinical measurements:amplitude of accommodation,positive relative accommodation,exophoria at distance and near,and positive fusional vergence at near.CONCLUSION:The total CVS-Q score is a valid and reliable tool for predicting the presence of various nonstrabismic binocular vision anomalies and refractive errors in symptomatic computer users.展开更多
In data communication,limited communication resources often lead to measurement bias,which adversely affects subsequent system estimation if not effectively handled.This paper proposes a novel bias calibration algorit...In data communication,limited communication resources often lead to measurement bias,which adversely affects subsequent system estimation if not effectively handled.This paper proposes a novel bias calibration algorithm under communication constraints to achieve accurate system states of the interested system.An output-based event-triggered scheme is first employed to alleviate transmission burden.Accounting for the limited-communication-induced measurement bias,a novel bias calibration algorithm following the Kalman filtering line is developed to restrain the effect of the measurement bias on system estimation,thereby achieving accurate system state estimates.Subsequently,the Field Programmable Gate Array(FPGA)implementation of the proposed algorithm is also realized with the hope of providing fast bias calibration in practical scenarios.A simulation about a numerical example and a practical example(for gyroscope’s angular velocity bias calibration)on MATLAB is provided to demonstrate the feasibility and effectiveness of the proposed algorithm.展开更多
Mobile communications are reaching out to every aspect of our daily life,necessitating highefficiency data transmission and support for diverse data types and communication scenarios.Polar codes have emerged as a prom...Mobile communications are reaching out to every aspect of our daily life,necessitating highefficiency data transmission and support for diverse data types and communication scenarios.Polar codes have emerged as a promising solution due to their outstanding error-correction performance and low complexity.Unequal error protection(UEP)involves nonuniform error safeguarding for distinct data segments,achieving a fine balance between error resilience and resource allocation,which ultimately enhancing system performance and efficiency.In this paper,we propose a novel class of UEP rateless polar codes.The codes are designed based on matrix extension of polar codes,and elegant mapping and duplication operations are designed to achieve UEP property while preserving the overall performance of conventional polar codes.Superior UEP performance is attained without significant modifications to conventional polar codes,making it straightforward for compatibility with existing polar codes.A theoretical analysis is conducted on the block error rate and throughput efficiency performance.To the best of our knowledge,this work provides the first theoretical performance analysis of UEP rateless polar codes.Simulation results show that the proposed codes significantly outperform existing polar coding schemes in both block error rate and throughput efficiency.展开更多
Conventional error cancellation approaches separate molecules into smaller fragments and sum the errors of all fragments to counteract the overall computational error of the parent molecules.However,these approaches m...Conventional error cancellation approaches separate molecules into smaller fragments and sum the errors of all fragments to counteract the overall computational error of the parent molecules.However,these approaches may be ineffective for systems with strong localized chemical effects,as fragmenting specific substructures into simpler chemical bonds can introduce additional errors instead of mitigating them.To address this issue,we propose the Substructure-Preserved Connection-Based Hierarchy(SCBH),a method that automatically identifies and freezes substructures with significant local chemical effects prior to molecular fragmentation.The SCBH is validated by the gas-phase enthalpy of formation calculation of CHNO molecules.Therein,based on the atomization scheme,the reference and test values are derived at the levels of Gaussian-4(G4)and M062X/6-31+G(2df,p),respectively.Compared to commonly used approaches,SCBH reduces the average computational error by half and requires only15%of the computational cost of G4 to achieve comparable accuracy.Since different types of local effect structures have differentiated influences on gas-phase enthalpy of formation,substituents with strong electronic effects should be retained preferentially.SCBH can be readily extended to diverse classes of organic compounds.Its workflow and source code allow flexible customization of molecular moieties,including azide,carboxyl,trinitromethyl,phenyl,and others.This strategy facilitates accurate,rapid,and automated computations and corrections,making it well-suited for high-throughput molecular screening and dataset construction for gas-phase enthalpy of formation.展开更多
Inborn errors of metabolism(IEMs)are a large group of disorders resulting from deficient activities in several metabolic pathways due to the dysfunction of a distinct enzyme associated with a biochemical pathway[1,2]....Inborn errors of metabolism(IEMs)are a large group of disorders resulting from deficient activities in several metabolic pathways due to the dysfunction of a distinct enzyme associated with a biochemical pathway[1,2].Toxic intermediates will be produced due to the dysfunction of biochemical pathways.The liver is responsible for many essential metabolic processes,therefore it becomes one of the most severely affected organ by metabolic diseases[3].Early onset of liver disorders in IEMs includes jaundice,hepatomegaly,splenomegaly,ascites,hepatic encephalopathy,and liver failure[4].In infants and young children under 3 years old with acute liver failure(ALF),IEMs account for 18.9%-43%[5].展开更多
Inborn errors of metabolism(IEM)are rare disorders,most are liver-based with liver transplantation(LT)emerging as an effective cure in the pediatric population.LT has been shown to offer a cure or deter disease progre...Inborn errors of metabolism(IEM)are rare disorders,most are liver-based with liver transplantation(LT)emerging as an effective cure in the pediatric population.LT has been shown to offer a cure or deter disease progression and provide symptomatic improvement in patients with IEM.Each metabolic disorder is unique,with the missing enzyme or transporter protein causing substrate deficiency or toxic byproduct production.Knowledge about the distribution of deficient enzymes,the percentage of enzymes replaced by LT,and the extent of extrahepatic involvement helps anticipate and manage complications in the perioperative period.Most patients have multisystem involvement and can be on complex dietary regimens.Metabolic decompensation can be triggered due to the stress response to surgery,fasting and other unanticipated complications perioperatively.Thus,a multidisciplinary team’s input including those from metabolic specialists is essential to develop disease and patient-specific strategies for the perioperative management of these patients during LT.In this review,we outline the classification of IEM,indications for LT along with potential benefits,basic metabolic defects and their implications,details of extrahepatic involvement and perioperative management strategies for LT in children with some of the commonly presenting IEM,to assist anesthesiologists handling this cohort of patients.展开更多
An H^1-Galerkin mixed finite element method is discussed for a class of second order SchrSdinger equation. Optimal error estimates of semidiscrete schemes are derived for problems in one space dimension. At the same t...An H^1-Galerkin mixed finite element method is discussed for a class of second order SchrSdinger equation. Optimal error estimates of semidiscrete schemes are derived for problems in one space dimension. At the same time, optimal error estimates are derived for fully discrete schemes. And it is showed that the H1-Galerkin mixed finite element approximations have the same rate of convergence as in the classical mixed finite element methods without requiring the LBB consistency condition.展开更多
In this paper,we investigate a streamline diffusion finite element approxi- mation scheme for the constrained optimal control problem governed by linear con- vection dominated diffusion equations.We prove the existenc...In this paper,we investigate a streamline diffusion finite element approxi- mation scheme for the constrained optimal control problem governed by linear con- vection dominated diffusion equations.We prove the existence and uniqueness of the discretized scheme.Then a priori and a posteriori error estimates are derived for the state,the co-state and the control.Three numerical examples are presented to illustrate our theoretical results.展开更多
The purpose of this paper is to investigate the convergence of the mixed finite element method for the initial-boundary value problem for the Sobolev equation Ut-div{aut + b1 u} = f based on the Raviart-Thomas space ...The purpose of this paper is to investigate the convergence of the mixed finite element method for the initial-boundary value problem for the Sobolev equation Ut-div{aut + b1 u} = f based on the Raviart-Thomas space Vh × Wh H(div; × L2(). Optimal order estimates are obtained for the approximation of u, ut, the associated velocity p and divp respectively in L(0,T;L2()), L(0,T;L2()), L(0,T;L2()2), and L2(0, T; L2()). Quasi-optimal order estimates are obtained for the approximations of u, ut in L(0, T; L()) and p in L(0,T; L()2).展开更多
The subject of this work is to propose adaptive finite element methods based on an optimal maximum norm error control estimate.Using estimators of the local regularity of the unknown exact solution derived from comput...The subject of this work is to propose adaptive finite element methods based on an optimal maximum norm error control estimate.Using estimators of the local regularity of the unknown exact solution derived from computed approximate solutions,the proposed procedures are analyzed in detail for a non-trivial class of corner problems and shown to be efficient in the sense that they generate the correct type of refinement and lead to the desired control under consideration.展开更多
Although the two-grid finite element decoupled scheme for mixed Navier-Stokes/ Darcy model in literatures has given the numerical results of optimal convergence order, the theoretical analysis only obtain the optimal ...Although the two-grid finite element decoupled scheme for mixed Navier-Stokes/ Darcy model in literatures has given the numerical results of optimal convergence order, the theoretical analysis only obtain the optimal error order for the porous media flow and a non-optimal error order for the fluid flow. In this article, we give a more rigorous of the error analysis for the fluid flow and obtain the optimal error estimates of the velocity and the pressure.展开更多
This paper deals with a-posteriori error estimates for piecewise linear finite element approximations of parabolic problems in two space dimensions. The analysis extends previous results for elliptic problems to the p...This paper deals with a-posteriori error estimates for piecewise linear finite element approximations of parabolic problems in two space dimensions. The analysis extends previous results for elliptic problems to the parabolic context.展开更多
H1-Galerkin mixed methods are proposed for viscoelasticity wave equation.Depending on the physical quantities of interest,two methods are discussed.The optimal error estimates and the proof of the existence and unique...H1-Galerkin mixed methods are proposed for viscoelasticity wave equation.Depending on the physical quantities of interest,two methods are discussed.The optimal error estimates and the proof of the existence and uniqueness of semidiscrete solutions are derived for problems in one space dimension.And the methods don＇t require the LBB condition.展开更多
<div style="text-align:justify;"> In this paper, we study the error estimates for direct discontinuous Galerkin methods based on the upwind-biased fluxes. We use a newly global projection to obtain the...<div style="text-align:justify;"> In this paper, we study the error estimates for direct discontinuous Galerkin methods based on the upwind-biased fluxes. We use a newly global projection to obtain the optimal error estimates. The numerical experiments imply that <em>L</em><sup>2 </sup>norms error estimates can reach to order <em>k</em> + 1 by using time discretization methods. </div>展开更多
A nonlinear parabolic system is derived to describe incompressible nuclear waste-disposal contamination in porous media. A sequential implicit tirne-stepping is defined, in which the pressure and Darcy velocity of the...A nonlinear parabolic system is derived to describe incompressible nuclear waste-disposal contamination in porous media. A sequential implicit tirne-stepping is defined, in which the pressure and Darcy velocity of the mixture are approximated simultaneously by a mixed finite element method and the brine, radionuclid and heat are treated by a combination of a Galerkin finite element method and the method of characteristics. Optimal-order convergence in L2 is proved. Time-truncation errors of standard procedures are reduced by time stepping along the characteristics of the hyperbolic part of the brine, radionuclide and heal equalios, temporal and spatial error are lossened by direct compulation of the velocity in the mixed method, as opposed to differentiation of the pressure.展开更多
An adaptive finite element procedure designed for specific computational goals is presented,using mesh refinement strategies based on optimal or nearly optimal a priori error estimates for the finite element method an...An adaptive finite element procedure designed for specific computational goals is presented,using mesh refinement strategies based on optimal or nearly optimal a priori error estimates for the finite element method and using estimators of the local regularity of the unknown exact solution derived from computed approximate solutions.The proposed procedure is analyzed in detail for a non-trivial class of corner problems and shown to be efficient in the sense that the method can generate the correct type of refinements and lead to the desired control under consideration.展开更多
基金Supported by the National Natural Science Foundation of China (Grant Nos.1236108412001130)。
文摘This paper is devoted to the Polynomial Preserving Recovery (PPR) based a posteriori error analysis for the second-order elliptic non-symmetric eigenvalue problem. An asymptotically exact a posteriori error estimator is proposed for solving the convection-dominated non-symmetric eigenvalue problem with non-smooth eigenfunctions or multiple eigenvalues. Numerical examples confirm our theoretical analysis.
基金supported by the National Natural Science Foundation of China(Grant No.11571181)by the Natural Science Foundation of Jiangsu Province(Grant No.BK20171454).
文摘In this paper,we propose and analyze two second-order accurate finite difference schemes for the one-dimensional heat equation with concentrated capacity on a computa-tional domain=[a,b].We first transform the target equation into the standard heat equation on the domain excluding the singular point equipped with an inner interface matching(IIM)condition on the singular point x=ξ∈(a,b),then adopt Taylor’s ex-pansion to approximate the IIM condition at the singular point and apply second-order finite difference method to approximate the standard heat equation at the nonsingular points.This discrete procedure allows us to choose different grid sizes to partition the two sub-domains[a,ξ]and[ξ,b],which ensures that x=ξ is a grid point,and hence the pro-posed schemes can be generalized to the heat equation with more than one concentrated capacities.We prove that the two proposed schemes are uniquely solvable.And through in-depth analysis of the local truncation errors,we rigorously prove that the two schemes are second-order accurate both in temporal and spatial directions in the maximum norm without any constraint on the grid ratio.Numerical experiments are carried out to verify our theoretical conclusions.
文摘Due to the inability of manufacturing a single monolithic mirror at the 10-meter scales,segmented mirrors have become indispensable tools in modern astronomical research.However,to match the imaging performance of the monolithic counterpart,the sub-mirrors must maintain precise co-phasing.Piston error critically degrades segmented mirror imaging quality,necessitating efficient and precise detection.To ad-dress the limitations that the conventional circular-aperture diffraction with two-wavelength algorithm is sus-ceptible to decentration errors,and the traditional convolutional neural networks(CNNs)struggle to capture global features under large-range piston errors due to their restricted local receptive fields,this paper pro-poses a method that integrates extended Young’s interference principles with a Vision Transformer(ViT)to detect piston error.By suppressing decentration error interference through two symmetrically arranged aper-tures and extending the measurement range to±7.95μm via a two-wavelength(589 nm/600 nm)algorithm.This approach exploits ViT’s self-attention mechanism to model global characteristics of interference fringes.Unlike CNNs constrained by local convolutional kernels,the ViT significantly improves sensitivity to inter-ferogram periodicity.The simulation results demonstrate that the proposed method achieves a measurement accuracy of 5 nm(0.0083λ0)across the range of±7.95μm,while maintaining an accuracy exceeding 95%in the presence of Gaussian noise(SNR≥15 dB),Poisson noise(λ≥9 photons/pixel),and sub-mirror gap er-ror(Egap≤0.2)interference.Moreover,the detection speed shows significant improvement compared to the cross-correlation algorithm.This study establishes an accurate,robust framework for segmented mirror error detection,advancing high-precision astronomical observation.
基金supported by the National Key R&D Program of China [grant number 2023YFC3008004]。
文摘This study presents a comprehensive evaluation of tropical cyclone(TC)forecast performance in the western North Pacific from 2013 to 2022,based on operational forecasts issued by the China Meteorological Administration.The analysis reveals systematic improvements in both track and intensity forecasts over the decade,with distinct error characteristics observed across various forecast parameters.Track forecast errors have steadily decreased,particularly for longer lead times,while error magnitudes have increased with longer forecast lead times.Intensity forecasts show similar progressive enhancements,with maximum sustained wind speed errors decreasing by 0.26 m/s per year for 120 h forecasts.The study also identifies several key patterns in forecast performance:typhoon-grade or stronger TCs exhibit smaller track errors than week or weaker systems;intensity forecasts systematically overestimate weaker TCs while underestimating stronger systems;and spatial error distributions show greater track inaccuracies near landmasses and regional intensity biases.These findings highlight both the significant advances in TC forecasting capability achieved through improved modeling and observational systems,and the remaining challenges in predicting TC changes and landfall behavior,providing valuable benchmarks for future forecast system development.
基金Supported by Ongoing Research Funding Program(ORFFT-2025-054-1),King Saud University,Riyadh,Saudi Arabia.
文摘AIM:To evaluate the efficacy of the total computer vision syndrome questionnaire(CVS-Q)score as a predictive tool for identifying individuals with symptomatic binocular vision anomalies and refractive errors.METHODS:A total of 141 healthy computer users underwent comprehensive clinical visual function assessments,including evaluations of refractive errors,accommodation(amplitude of accommodation,positive relative accommodation,negative relative accommodation,accommodative accuracy,and accommodative facility),and vergence(phoria,positive and negative fusional vergence,near point of convergence,and vergence facility).Total CVS-Q scores were recorded to explore potential associations between symptom scores and the aforementioned clinical visual function parameters.RESULTS:The cohort included 54 males(38.3%)with a mean age of 23.9±0.58y and 87 age-matched females(61.7%)with a mean age of 23.9±0.53y.The multiple regression model was statistically significant[R²=0.60,F=13.28,degrees of freedom(DF=17122,P<0.001].This indicates that 60%of the variance in total CVS-Q scores(reflecting reported symptoms)could be explained by four clinical measurements:amplitude of accommodation,positive relative accommodation,exophoria at distance and near,and positive fusional vergence at near.CONCLUSION:The total CVS-Q score is a valid and reliable tool for predicting the presence of various nonstrabismic binocular vision anomalies and refractive errors in symptomatic computer users.
基金support from the National Natural Science Foundation of China(Grant Nos.U2330206,U2230206,62173068)Sichuan Science and Technology Program(Grants Nos.2024NSFSC1483,2024ZYD0156,2023NSFC1962,DQ202412).
文摘In data communication,limited communication resources often lead to measurement bias,which adversely affects subsequent system estimation if not effectively handled.This paper proposes a novel bias calibration algorithm under communication constraints to achieve accurate system states of the interested system.An output-based event-triggered scheme is first employed to alleviate transmission burden.Accounting for the limited-communication-induced measurement bias,a novel bias calibration algorithm following the Kalman filtering line is developed to restrain the effect of the measurement bias on system estimation,thereby achieving accurate system state estimates.Subsequently,the Field Programmable Gate Array(FPGA)implementation of the proposed algorithm is also realized with the hope of providing fast bias calibration in practical scenarios.A simulation about a numerical example and a practical example(for gyroscope’s angular velocity bias calibration)on MATLAB is provided to demonstrate the feasibility and effectiveness of the proposed algorithm.
基金supported by National Natural Science Foundation of China(No.62301008)China Postdoctoral Science Foundation(No.2022M720272)New Cornerstone Science Foundation through the XPLORER PRIZE。
文摘Mobile communications are reaching out to every aspect of our daily life,necessitating highefficiency data transmission and support for diverse data types and communication scenarios.Polar codes have emerged as a promising solution due to their outstanding error-correction performance and low complexity.Unequal error protection(UEP)involves nonuniform error safeguarding for distinct data segments,achieving a fine balance between error resilience and resource allocation,which ultimately enhancing system performance and efficiency.In this paper,we propose a novel class of UEP rateless polar codes.The codes are designed based on matrix extension of polar codes,and elegant mapping and duplication operations are designed to achieve UEP property while preserving the overall performance of conventional polar codes.Superior UEP performance is attained without significant modifications to conventional polar codes,making it straightforward for compatibility with existing polar codes.A theoretical analysis is conducted on the block error rate and throughput efficiency performance.To the best of our knowledge,this work provides the first theoretical performance analysis of UEP rateless polar codes.Simulation results show that the proposed codes significantly outperform existing polar coding schemes in both block error rate and throughput efficiency.
基金the support of the National Natural Science Foundation of China(22575230)。
文摘Conventional error cancellation approaches separate molecules into smaller fragments and sum the errors of all fragments to counteract the overall computational error of the parent molecules.However,these approaches may be ineffective for systems with strong localized chemical effects,as fragmenting specific substructures into simpler chemical bonds can introduce additional errors instead of mitigating them.To address this issue,we propose the Substructure-Preserved Connection-Based Hierarchy(SCBH),a method that automatically identifies and freezes substructures with significant local chemical effects prior to molecular fragmentation.The SCBH is validated by the gas-phase enthalpy of formation calculation of CHNO molecules.Therein,based on the atomization scheme,the reference and test values are derived at the levels of Gaussian-4(G4)and M062X/6-31+G(2df,p),respectively.Compared to commonly used approaches,SCBH reduces the average computational error by half and requires only15%of the computational cost of G4 to achieve comparable accuracy.Since different types of local effect structures have differentiated influences on gas-phase enthalpy of formation,substituents with strong electronic effects should be retained preferentially.SCBH can be readily extended to diverse classes of organic compounds.Its workflow and source code allow flexible customization of molecular moieties,including azide,carboxyl,trinitromethyl,phenyl,and others.This strategy facilitates accurate,rapid,and automated computations and corrections,making it well-suited for high-throughput molecular screening and dataset construction for gas-phase enthalpy of formation.
文摘Inborn errors of metabolism(IEMs)are a large group of disorders resulting from deficient activities in several metabolic pathways due to the dysfunction of a distinct enzyme associated with a biochemical pathway[1,2].Toxic intermediates will be produced due to the dysfunction of biochemical pathways.The liver is responsible for many essential metabolic processes,therefore it becomes one of the most severely affected organ by metabolic diseases[3].Early onset of liver disorders in IEMs includes jaundice,hepatomegaly,splenomegaly,ascites,hepatic encephalopathy,and liver failure[4].In infants and young children under 3 years old with acute liver failure(ALF),IEMs account for 18.9%-43%[5].
文摘Inborn errors of metabolism(IEM)are rare disorders,most are liver-based with liver transplantation(LT)emerging as an effective cure in the pediatric population.LT has been shown to offer a cure or deter disease progression and provide symptomatic improvement in patients with IEM.Each metabolic disorder is unique,with the missing enzyme or transporter protein causing substrate deficiency or toxic byproduct production.Knowledge about the distribution of deficient enzymes,the percentage of enzymes replaced by LT,and the extent of extrahepatic involvement helps anticipate and manage complications in the perioperative period.Most patients have multisystem involvement and can be on complex dietary regimens.Metabolic decompensation can be triggered due to the stress response to surgery,fasting and other unanticipated complications perioperatively.Thus,a multidisciplinary team’s input including those from metabolic specialists is essential to develop disease and patient-specific strategies for the perioperative management of these patients during LT.In this review,we outline the classification of IEM,indications for LT along with potential benefits,basic metabolic defects and their implications,details of extrahepatic involvement and perioperative management strategies for LT in children with some of the commonly presenting IEM,to assist anesthesiologists handling this cohort of patients.
基金Supported by the National Natural Science Foundation of China (10601022)Natural Science Foundation of Inner Mongolia Autonomous Region (200607010106)Youth Science Foundation of Inner Mongolia University(ND0702)
文摘An H^1-Galerkin mixed finite element method is discussed for a class of second order SchrSdinger equation. Optimal error estimates of semidiscrete schemes are derived for problems in one space dimension. At the same time, optimal error estimates are derived for fully discrete schemes. And it is showed that the H1-Galerkin mixed finite element approximations have the same rate of convergence as in the classical mixed finite element methods without requiring the LBB consistency condition.
基金supported by the National Basic Research Program under the Grant 2005CB321701the National Natural Science Foundation of China under the Grants 60474027 and 10771211.
文摘In this paper,we investigate a streamline diffusion finite element approxi- mation scheme for the constrained optimal control problem governed by linear con- vection dominated diffusion equations.We prove the existence and uniqueness of the discretized scheme.Then a priori and a posteriori error estimates are derived for the state,the co-state and the control.Three numerical examples are presented to illustrate our theoretical results.
文摘The purpose of this paper is to investigate the convergence of the mixed finite element method for the initial-boundary value problem for the Sobolev equation Ut-div{aut + b1 u} = f based on the Raviart-Thomas space Vh × Wh H(div; × L2(). Optimal order estimates are obtained for the approximation of u, ut, the associated velocity p and divp respectively in L(0,T;L2()), L(0,T;L2()), L(0,T;L2()2), and L2(0, T; L2()). Quasi-optimal order estimates are obtained for the approximations of u, ut in L(0, T; L()) and p in L(0,T; L()2).
文摘The subject of this work is to propose adaptive finite element methods based on an optimal maximum norm error control estimate.Using estimators of the local regularity of the unknown exact solution derived from computed approximate solutions,the proposed procedures are analyzed in detail for a non-trivial class of corner problems and shown to be efficient in the sense that they generate the correct type of refinement and lead to the desired control under consideration.
基金Subsidized by NSFC(11571274 and 11171269)the Ph.D.Programs Foundation of Ministry of Education of China(20110201110027)
文摘Although the two-grid finite element decoupled scheme for mixed Navier-Stokes/ Darcy model in literatures has given the numerical results of optimal convergence order, the theoretical analysis only obtain the optimal error order for the porous media flow and a non-optimal error order for the fluid flow. In this article, we give a more rigorous of the error analysis for the fluid flow and obtain the optimal error estimates of the velocity and the pressure.
文摘This paper deals with a-posteriori error estimates for piecewise linear finite element approximations of parabolic problems in two space dimensions. The analysis extends previous results for elliptic problems to the parabolic context.
基金Supported by NNSF(10601022,11061021)Supported by NSF of Inner Mongolia Au-tonomous Region(200607010106)Supported by SRP of Higher Schools of Inner Mongolia(NJ10006)
文摘H1-Galerkin mixed methods are proposed for viscoelasticity wave equation.Depending on the physical quantities of interest,two methods are discussed.The optimal error estimates and the proof of the existence and uniqueness of semidiscrete solutions are derived for problems in one space dimension.And the methods don＇t require the LBB condition.
文摘<div style="text-align:justify;"> In this paper, we study the error estimates for direct discontinuous Galerkin methods based on the upwind-biased fluxes. We use a newly global projection to obtain the optimal error estimates. The numerical experiments imply that <em>L</em><sup>2 </sup>norms error estimates can reach to order <em>k</em> + 1 by using time discretization methods. </div>
基金The research was supported by the Natural Science Foundation of China
文摘A nonlinear parabolic system is derived to describe incompressible nuclear waste-disposal contamination in porous media. A sequential implicit tirne-stepping is defined, in which the pressure and Darcy velocity of the mixture are approximated simultaneously by a mixed finite element method and the brine, radionuclid and heat are treated by a combination of a Galerkin finite element method and the method of characteristics. Optimal-order convergence in L2 is proved. Time-truncation errors of standard procedures are reduced by time stepping along the characteristics of the hyperbolic part of the brine, radionuclide and heal equalios, temporal and spatial error are lossened by direct compulation of the velocity in the mixed method, as opposed to differentiation of the pressure.
文摘An adaptive finite element procedure designed for specific computational goals is presented,using mesh refinement strategies based on optimal or nearly optimal a priori error estimates for the finite element method and using estimators of the local regularity of the unknown exact solution derived from computed approximate solutions.The proposed procedure is analyzed in detail for a non-trivial class of corner problems and shown to be efficient in the sense that the method can generate the correct type of refinements and lead to the desired control under consideration.
