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Principal-subordinate hierarchical multi-objective programming model of initial water rights allocation 被引量:5
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作者 Dan WU Feng-ping WU Yan-ping CHEN 《Water Science and Engineering》 EI CAS 2009年第2期105-116,共12页
The principal-subordinate hierarchical multi-objective programming model of initial water rights allocation was developed based on the principle of coordinated and sustainable development of different regions and wate... The principal-subordinate hierarchical multi-objective programming model of initial water rights allocation was developed based on the principle of coordinated and sustainable development of different regions and water sectors within a basin. With the precondition of strictly controlling maximum emissions rights, initial water rights were allocated between the first and the second levels of the hierarchy in order to promote fair and coordinated development across different regions of the basin and coordinated and efficient water use across different water sectors, realize the maximum comprehensive benefits to the basin, promote the unity of quantity and quality of initial water rights allocation, and eliminate water conflict across different regions and water sectors. According to interactive decision-making theory, a principal-subordinate hierarchical interactive iterative algorithm based on the satisfaction degree was developed and used to solve the initial water rights allocation model. A case study verified the validity of the model. 展开更多
关键词 initial water rights allocation principal-subordinate hierarchy multi-objective programming model satisfaction degree
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Approach for uncertain multi-objective programming problems with correlated objective functions under C_(EV) criterion 被引量:2
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作者 MENG Xiangfei WANG Ying +2 位作者 LI Chao WANG Xiaoyang LYU Maolong 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2018年第6期1197-1208,共12页
An uncertain multi-objective programming problem is a special type of mathematical multi-objective programming involving uncertain variables. This type of problem is important because there are several uncertain varia... An uncertain multi-objective programming problem is a special type of mathematical multi-objective programming involving uncertain variables. This type of problem is important because there are several uncertain variables in real-world problems.Therefore, research on the uncertain multi-objective programming problem is highly relevant, particularly those problems whose objective functions are correlated. In this paper, an approach that solves an uncertain multi-objective programming problem under the expected-variance value criterion is proposed. First, we define the basic framework of the approach and review concepts such as a Pareto efficient solution and expected-variance value criterion using an order relation between various uncertain variables.Second, the uncertain multi-objective problem is converted into an uncertain single-objective programming problem via a linear weighted method or ideal point method. Then the problem is transformed into a deterministic single objective programming problem under the expected-variance value criterion. Third, four lemmas and two theorems are proved to illustrate that the optimal solution of the deterministic single-objective programming problem is an efficient solution to the original uncertainty problem. Finally, two numerical examples are presented to validate the effectiveness of the proposed approach. 展开更多
关键词 uncertainty theory uncertain multi-objective programming expected-variance value criterion
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New approach for uncertain random multi-objective programming problems based on C_(ESD) criterion 被引量:1
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作者 SUN Yun WANG Ying +2 位作者 MENG Xiangfei FU Chaoqi LUO Chengkun 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2021年第3期619-630,共12页
To overcome the defects that the traditional ap-proach for multi-objective programming under uncertain ran-dom environment(URMOP)neglects the randomness and uncer-tainty of the problem and the volatility of the result... To overcome the defects that the traditional ap-proach for multi-objective programming under uncertain ran-dom environment(URMOP)neglects the randomness and uncer-tainty of the problem and the volatility of the results,a new ap-proach is proposed based on expected value-standard devi-ation value criterion(C_(ESD) criterion).Firstly,the effective solution to the URMOP problem is defined;then,by applying sequence relationship between the uncertain random variables,the UR-MOP problem is transformed into a single-objective program-ming(SOP)under uncertain random environment(URSOP),which are transformed into a deterministic counterpart based on the C_(ESD) criterion.Then the validity of the new approach is proved that the optimal solution to the SOP problem is also effi-cient for the URMOP problem;finally,a numerical example and a case application are presented to show the effectiveness of the new approach. 展开更多
关键词 chance theory independent-uncertain random multi-objective programming expected value-standard derivation value criterion(C_(ESD)criterion)
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MULTI-OBJECTIVE PROGRAMMING FOR AIRPORT GATE REASSIGNMENT
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作者 李军会 陈欣 朱金福 《Transactions of Nanjing University of Aeronautics and Astronautics》 EI 2013年第2期209-215,共7页
To improve the efficiency of gate reassignment and optimize the plan of gate reassignment,the concept of disruption management is introduced,and a multi-objective programming model for airport gate reassignment is pro... To improve the efficiency of gate reassignment and optimize the plan of gate reassignment,the concept of disruption management is introduced,and a multi-objective programming model for airport gate reassignment is proposed.Considering the interests of passengers and the airport,the model minimizes the total flight delay,the total passengers′walking distance and the number of flights reassigned to other gates different from the planned ones.According to the characteristics of the gate reassignment,the model is simplified.As the multi-objective programming model is hard to reach the optimal solutions simultaneously,a threshold of satisfactory solutions of the model is set.Then a simulated annealing algorithm is designed for the model.Case studies show that the model decreases the total flight delay to the satisfactory solutions,and minimizes the total passengers′walking distance.The least change of planned assignment is also reached.The results achieve the goals of disruption management.Therefore,the model is verified to be effective. 展开更多
关键词 gate assignment multi-objective programming simulated annealing algorithm disruption management
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MULTI-OBJECTIVE PROGRAMMING MODEL OF TROPICAL CROPS IN HAINAN ISLAND
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作者 Zhou Zhaode(Department of Cultivation,South China College of Tropical Crops, Chanxian, Hainan 571700People’s Republic of China)Zheng Jianfei(Department of Agrometeorology,Bejing Agricultural University, Bejing 100094People’s Repulblic of China) 《Journal of Geographical Sciences》 SCIE CSCD 1994年第Z1期48-60,共13页
According to Hainan Island's biological characteristics, and existing structure of productivity of tropical crops and local climatic conditions, this paper carries on regional division of tropical crops by fuzzy m... According to Hainan Island's biological characteristics, and existing structure of productivity of tropical crops and local climatic conditions, this paper carries on regional division of tropical crops by fuzzy mathematics. Based on calculation of basic parameters for tl1e formation of production, near-tem optimum models of tropical crops structure of each region was established by means of multi-objective programming, and a far-term grey programming model was set up through the above-mentioned near-term model and prediction of future parameters. Conclusion shows that the near-term programming may raise the profit by 5. 1-55.7 percent and far-tem programming by 54-90 percent, both gainingobvious economic benefits. 展开更多
关键词 Hainan Island tropical crops multi-objective programming
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Estimating the Macroeconomic Costs of CO_2 Emission Reduction in China Based on Multi-objective Programming
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作者 Ying Fan Xiaobing Zhang Lei Zhu 《Advances in Climate Change Research》 SCIE 2010年第1期27-33,共7页
This paper estimates the macroeconornic costs of CO2 emission reduction in China employing the input-output analysis with the multi-objective programming approach. The results show that the effect of reducing CO2 emis... This paper estimates the macroeconornic costs of CO2 emission reduction in China employing the input-output analysis with the multi-objective programming approach. The results show that the effect of reducing CO2 emissions on China's economy is significant. Under the present conditions, the estimated macroeconomic costs of CO2 emission reduction in 2010 for China are approximately 3,100-4,024 RMB t-1. The stronger the abatement actions, the higher the macroeconomic costs of per unit emission reduction would be. Excavation industry, oil industry, chemical industry, and metal smelting industry have high potential to abate their CO2 emissions. 展开更多
关键词 CO2 emission reduction macroeconomic cost multi-objective programming input-output analysis
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Optimality and Duality on Fractional Multi-objective Programming Under Semilocal E-convexity 被引量:1
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作者 HU Qing-jie XIA O Yun-hai CHEN Nei-ping 《Chinese Quarterly Journal of Mathematics》 CSCD 2009年第2期200-210,共11页
In this paper, some necessary and sufficient optimality conditions are obtained for a fractional multiple objective programming involving semilocal E-convex and related functions. Also, some dual results are establish... In this paper, some necessary and sufficient optimality conditions are obtained for a fractional multiple objective programming involving semilocal E-convex and related functions. Also, some dual results are established under this kind of generalized convex functions. Our results generalize the ones obtained by Preda[J Math Anal Appl, 288(2003) 365-382]. 展开更多
关键词 semilocal E-convex functions fractional multiple objective programming optimality conditions DUALITY
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Compactness, Contractibility and Fixed Point Properties of the Pareto Sets in Multi-Objective Programming
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作者 Zdravko Dimitrov Slavov Christina Slavova Evans 《Applied Mathematics》 2011年第5期556-561,共6页
This paper presents the Pareto solutions in continuous multi-objective mathematical programming. We discuss the role of some assumptions on the objective functions and feasible domain, the relationship between them, a... This paper presents the Pareto solutions in continuous multi-objective mathematical programming. We discuss the role of some assumptions on the objective functions and feasible domain, the relationship between them, and compactness, contractibility and fixed point properties of the Pareto sets. The authors have tried to remove the concavity assumptions on the objective functions which are usually used in multi-objective maximization problems. The results are based on constructing a retraction from the feasible domain onto the Pareto-optimal set. 展开更多
关键词 multi-objective programming PARETO-OPTIMAL Pareto-Front Compact CONTRACTIBLE Fixed Point RETRACTION
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Roughly <i>B</i>-invex Multi-Objective Programming Problems
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作者 Tarek Emam 《Open Journal of Optimization》 2012年第1期1-7,共7页
In this paper, we shall be interested in characterization of efficient solutions for special classes of problems. These classes consider roughly B-invexity of involved functions. Sufficient and necessary conditions fo... In this paper, we shall be interested in characterization of efficient solutions for special classes of problems. These classes consider roughly B-invexity of involved functions. Sufficient and necessary conditions for a feasible solution to be an efficient or properly efficient solution are obtained. 展开更多
关键词 multi-objective programming Problems Roughly B-invex EFFICIENT SOLUTIONS Properly EFFICIENT SOLUTIONS
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Generating Efficient Solutions in Bilevel Multi-Objective Programming Problems
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作者 Calice Olivier Pieume Patrice Marcotte +1 位作者 Laure Pauline Fotso Patrick Siarry 《American Journal of Operations Research》 2013年第2期289-298,共10页
In this paper, we address bilevel multi-objective programming problems (BMPP) in which the decision maker at each level has multiple objective functions conflicting with each other. Given a BMPP, we show how to constr... In this paper, we address bilevel multi-objective programming problems (BMPP) in which the decision maker at each level has multiple objective functions conflicting with each other. Given a BMPP, we show how to construct two artificial multiobjective programming problems such that any point that is efficient for both the two problems is an efficient solution of the BMPP. Some necessary and sufficient conditions for which the obtained result is applicable are provided. A complete procedure of the implementation of an algorithm for generating efficient solutions for the linear case of BMPP is presented. A numerical example is provided to illustrate how the algorithm operates. 展开更多
关键词 multi-objective programMING Bilevel programMING EFFICIENT Solution EFFICIENT EDGE HIERARCHICAL Systems
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A Penalty Function Algorithm with Objective Parameters and Constraint Penalty Parameter for Multi-Objective Programming
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作者 Zhiqing Meng Rui Shen Min Jiang 《American Journal of Operations Research》 2014年第6期331-339,共9页
In this paper, we present an algorithm to solve the inequality constrained multi-objective programming (MP) by using a penalty function with objective parameters and constraint penalty parameter. First, the penalty fu... In this paper, we present an algorithm to solve the inequality constrained multi-objective programming (MP) by using a penalty function with objective parameters and constraint penalty parameter. First, the penalty function with objective parameters and constraint penalty parameter for MP and the corresponding unconstraint penalty optimization problem (UPOP) is defined. Under some conditions, a Pareto efficient solution (or a weakly-efficient solution) to UPOP is proved to be a Pareto efficient solution (or a weakly-efficient solution) to MP. The penalty function is proved to be exact under a stable condition. Then, we design an algorithm to solve MP and prove its convergence. Finally, numerical examples show that the algorithm may help decision makers to find a satisfactory solution to MP. 展开更多
关键词 multi-objective programming PENALTY Function Objective PARAMETERS CONSTRAINT PENALTY Parameter PARETO Weakly-Efficient Solution
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Optimality for Multi-Objective Programming Involving Arcwise Connected d-Type-I Functions
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作者 Guolin Yu Min Wang 《American Journal of Operations Research》 2011年第4期243-248,共6页
This paper deals with the optimality conditions and dual theory of multi-objective programming problems involving generalized convexity. New classes of generalized type-I functions are introduced for arcwise connected... This paper deals with the optimality conditions and dual theory of multi-objective programming problems involving generalized convexity. New classes of generalized type-I functions are introduced for arcwise connected functions, and examples are given to show the existence of these functions. By utilizing the new concepts, several sufficient optimality conditions and Mond-Weir type duality results are proposed for non-differentiable multi-objective programming problem. 展开更多
关键词 multi-objective programming Pareto Efficient Solution Arcwise Connected d-Type-I FUNCTIONS OPTIMALITY Conditions Duality
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METHOD OF CENTERS ALGORITHM FORMULTI-OBJECTIVE PROGRAMMING PROBLEMS
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作者 Tarek Emam 《Acta Mathematica Scientia》 SCIE CSCD 2009年第5期1128-1142,共15页
In this paper, we consider a method of centers for solving multi-objective programming problems, where the objective functions involved are concave functions and the set of feasible points is convex. The algorithm is ... In this paper, we consider a method of centers for solving multi-objective programming problems, where the objective functions involved are concave functions and the set of feasible points is convex. The algorithm is defined so that the sub-problems that must be solved during its execution may be solved by finite-step procedures. Conditions are given under which the algorithm generates sequences of feasible points and constraint multiplier vectors that have accumulation points satisfying the KKT conditions. Finally, we establish convergence of the proposed method of centers algorithm for solving multiobjective programming problems. 展开更多
关键词 method of centers multi-objective CONVERGENCE approximated efficient solution
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Selecting China's strategic petroleum reserve sites by multi-objective programming model
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作者 Hui Li Ren-Jin Sun +3 位作者 Kang-Yin Dong Xiu-Cheng Dong Zhong-Bin Zhou Xia Leng 《Petroleum Science》 SCIE CAS CSCD 2017年第3期622-635,共14页
An important decision for policy makers is selecting strategic petroleum reserve sites. However, policy makers may not choose the most suitable and efficient locations for strategic petroleum reserve(SPR) due to the... An important decision for policy makers is selecting strategic petroleum reserve sites. However, policy makers may not choose the most suitable and efficient locations for strategic petroleum reserve(SPR) due to the complexity in the choice of sites. This paper proposes a multi-objective programming model to determine the optimal locations for China's SPR storage sites. This model considers not only the minimum response time but also the minimum transportation cost based on a series of reasonable assumptions and constraint conditions. The factors influencing SPR sites are identified to determine potential demand points and candidate storage sites. Estimation and suggestions are made for the selection of China's future SPR storage sites based on the results of this model. When the number of petroleum storage sites is less than or equals 25 and the maximum capacity of storage sites is restricted to 10 million tonnes, the model's result best fit for the current layout scheme selected thirteen storage sites in four scenarios. Considering the current status of SPR in China,Tianjin, Qingdao, Dalian, Daqing and Zhanjiang, Chengdu,Xi'an, and Yueyang are suggested to be the candidate locations for the third phase of the construction plan. The locations of petroleum storage sites suggested in this work could be used as a reference for decision makers. 展开更多
关键词 Strategic petroleum reserve Storage siteselection multi-objective modeling China
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Multi-objective Programming and Social Welfare Analysis of Rural–urban Land Conversion Decision-making
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作者 Song Min Zhang Anlu 《Chinese Journal of Population,Resources and Environment》 北大核心 2008年第4期65-71,共7页
Rural-urban land conversion is an inevitable phenomenon in urbanization arid industrialization. And the decision-making issue about this conversion is multi-objective because the social decision maker (the whole of c... Rural-urban land conversion is an inevitable phenomenon in urbanization arid industrialization. And the decision-making issue about this conversion is multi-objective because the social decision maker (the whole of central government and local authority) has to integrate the requirements of different interest groups (rural collective economic organizations, peasants, urban land users and the ones affected indirectly) and harmonize the sub-objects (economic, social and ecological outcomes) of this land allocation process. This paper established a multi-objective programming model for rural-urban land conversion decision-making and made some social welfare analysis correspondingly. Result shows that the general object of rural-urban land conversion decision-making is to reach the optimal level of social welfare in a certain state of resources allocation, while the preference of social decision makers and the value judgment of interest groups are two crucial factors which determine the realization of the rural-urban land conversion decision-making objects. 展开更多
关键词 ntral-urban land conversion DECISION-MAKING multiobjective programming social welfare
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Multi-Strategy Assisted Multi-Objective Whale Optimization Algorithm for Feature Selection 被引量:1
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作者 Deng Yang Chong Zhou +2 位作者 Xuemeng Wei Zhikun Chen Zheng Zhang 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第8期1563-1593,共31页
In classification problems,datasets often contain a large amount of features,but not all of them are relevant for accurate classification.In fact,irrelevant features may even hinder classification accuracy.Feature sel... In classification problems,datasets often contain a large amount of features,but not all of them are relevant for accurate classification.In fact,irrelevant features may even hinder classification accuracy.Feature selection aims to alleviate this issue by minimizing the number of features in the subset while simultaneously minimizing the classification error rate.Single-objective optimization approaches employ an evaluation function designed as an aggregate function with a parameter,but the results obtained depend on the value of the parameter.To eliminate this parameter’s influence,the problem can be reformulated as a multi-objective optimization problem.The Whale Optimization Algorithm(WOA)is widely used in optimization problems because of its simplicity and easy implementation.In this paper,we propose a multi-strategy assisted multi-objective WOA(MSMOWOA)to address feature selection.To enhance the algorithm’s search ability,we integrate multiple strategies such as Levy flight,Grey Wolf Optimizer,and adaptive mutation into it.Additionally,we utilize an external repository to store non-dominant solution sets and grid technology is used to maintain diversity.Results on fourteen University of California Irvine(UCI)datasets demonstrate that our proposed method effectively removes redundant features and improves classification performance.The source code can be accessed from the website:https://github.com/zc0315/MSMOWOA. 展开更多
关键词 multi-objective optimization whale optimization algorithm multi-strategy feature selection
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Multi-objective optimization and evaluation of supercritical CO_(2) Brayton cycle for nuclear power generation 被引量:1
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作者 Guo-Peng Yu Yong-Feng Cheng +1 位作者 Na Zhang Ping-Jian Ming 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2024年第2期183-209,共27页
The supercritical CO_(2) Brayton cycle is considered a promising energy conversion system for Generation IV reactors for its simple layout,compact structure,and high cycle efficiency.Mathematical models of four Brayto... The supercritical CO_(2) Brayton cycle is considered a promising energy conversion system for Generation IV reactors for its simple layout,compact structure,and high cycle efficiency.Mathematical models of four Brayton cycle layouts are developed in this study for different reactors to reduce the cost and increase the thermohydraulic performance of nuclear power generation to promote the commercialization of nuclear energy.Parametric analysis,multi-objective optimizations,and four decision-making methods are applied to obtain each Brayton scheme’s optimal thermohydraulic and economic indexes.Results show that for the same design thermal power scale of reactors,the higher the core’s exit temperature,the better the Brayton cycle’s thermo-economic performance.Among the four-cycle layouts,the recompression cycle(RC)has the best overall performance,followed by the simple recuperation cycle(SR)and the intercooling cycle(IC),and the worst is the reheating cycle(RH).However,RH has the lowest total cost of investment(C_(tot))of$1619.85 million,and IC has the lowest levelized cost of energy(LCOE)of 0.012$/(kWh).The nuclear Brayton cycle system’s overall performance has been improved due to optimization.The performance of the molten salt reactor combined with the intercooling cycle(MSR-IC)scheme has the greatest improvement,with the net output power(W_(net)),thermal efficiencyη_(t),and exergy efficiency(η_(e))improved by 8.58%,8.58%,and 11.21%,respectively.The performance of the lead-cooled fast reactor combined with the simple recuperation cycle scheme was optimized to increase C_(tot) by 27.78%.In comparison,the internal rate of return(IRR)increased by only 7.8%,which is not friendly to investors with limited funds.For the nuclear Brayton cycle,the molten salt reactor combined with the recompression cycle scheme should receive priority,and the gas-cooled fast reactor combined with the reheating cycle scheme should be considered carefully. 展开更多
关键词 Supercritical CO_(2)Brayton cycle Nuclear power generation Thermo-economic analysis multi-objective optimization Decision-making methods
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A modified back analysis method for deep excavation with multi-objective optimization procedure
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作者 Chenyang Zhao Le Chen +2 位作者 Pengpeng Ni Wenjun Xia Bin Wang 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第4期1373-1387,共15页
Real-time prediction of excavation-induced displacement of retaining pile during the deep excavation process is crucial for construction safety.This paper proposes a modified back analysis method with multi-objective ... Real-time prediction of excavation-induced displacement of retaining pile during the deep excavation process is crucial for construction safety.This paper proposes a modified back analysis method with multi-objective optimization procedure,which enables a real-time prediction of horizontal displacement of retaining pile during construction.As opposed to the traditional stage-by-stage back analysis,time series monitoring data till the current excavation stage are utilized to form a multi-objective function.Then,the multi-objective particle swarm optimization (MOPSO) algorithm is applied for parameter identification.The optimized model parameters are immediately adopted to predict the excavation-induced pile deformation in the continuous construction stages.To achieve efficient parameter optimization and real-time prediction of system behavior,the back propagation neural network (BPNN) is established to substitute the finite element model,which is further implemented together with MOPSO for automatic operation.The proposed approach is applied in the Taihu tunnel excavation project,where the effectiveness of the method is demonstrated via the comparisons with the site monitoring data.The method is reliable with a prediction accuracy of more than 90%.Moreover,different optimization algorithms,including non-dominated sorting genetic algorithm (NSGA-II),Pareto Envelope-based Selection Algorithm II (PESA-II) and MOPSO,are compared,and their influences on the prediction accuracy at different excavation stages are studied.The results show that MOPSO has the best performance for high dimensional optimization task. 展开更多
关键词 multi-objective optimization Back analysis Surrogate model multi-objective particle swarm optimization(MOPSO) Deep excavation
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A reduced combustion mechanism of ammonia/diesel optimized with multi-objective genetic algorithm
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作者 Wanchen Sun Shaodian Lin +4 位作者 Hao Zhang Liang Guo Wenpeng Zeng Genan Zhu Mengqi Jiang 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第4期187-200,共14页
For the deep understanding on combustion of ammonia/diesel,this study develops a reduced mechanism of ammonia/diesel with 227 species and 937 reactions.The sub-mechanism on ammonia/interactions of N-based and C-based ... For the deep understanding on combustion of ammonia/diesel,this study develops a reduced mechanism of ammonia/diesel with 227 species and 937 reactions.The sub-mechanism on ammonia/interactions of N-based and C-based species(N—C)/NOx is optimized using the Non-dominated Sorting Genetic Algorithm II(NSGA-II)with 200 generations.The optimized mechanism(named as 937b)is validated against combustion characteristics of ammonia/methane(which is used to examine the accuracy of N—C interactions)and ammonia/diesel blends.The ignition delay times(IDTs),the laminar flame speeds and most of key intermediate species during the combustion of ammonia/methane blends can be accurately simulated by 937b under a wide range of conditions.As for ammonia/diesel blends with various diesel energy fractions,reasonable predictions on the IDTs under pressures from 1.0 MPa to5.0 MPa as well as the laminar flame speeds are also achieved by 937b.In particular,with regard to the IDT simulations of ammonia/diesel blends,937b makes progress in both aspects of overall accuracy and computational efficiency,compared to a detailed ammonia/diesel mechanism.Further kinetic analysis reveals that the reaction pathway of ammonia during the combustion of ammonia/diesel blend mainly differs in the tendencies of oxygen additions to NH_2 and NH with different equivalence ratios. 展开更多
关键词 AMMONIA DIESEL COMBUSTION Kinetic mechanism multi-objective optimization
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Multi-objective global optimization approach predicted quasi-layered ternary TiOS crystals with promising photocatalytic properties
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作者 向依婕 高思妍 +4 位作者 王春雷 方海平 段香梅 郑益峰 张越宇 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第8期429-435,共7页
Titanium dioxide(TiO_(2))has attracted considerable research attentions for its promising applications in solar cells and photocatalytic devices.However,the intrinsic challenge lies in the relatively low energy conver... Titanium dioxide(TiO_(2))has attracted considerable research attentions for its promising applications in solar cells and photocatalytic devices.However,the intrinsic challenge lies in the relatively low energy conversion efficiency of TiO_(2),primarily attributed to the substantial band gaps(exceeding 3.0 eV)associated with its rutile and anatase phases.Leveraging multi-objective global optimization,we have identified two quasi-layered ternary Ti-O-S crystals,composed of titanium,oxygen,and sulfur.The calculations of formation energy,phonon dispersions,and thermal stability confirm the chemical,dynamical and thermal stability of these newly discovered phases.Employing the state-of-art hybrid density functional approach and many-body perturbation theory(quasiparticle GW approach and Bethe-Salpeter equation),we calculate the optical properties of both the TiOS phases.Significantly,both phases show favorable photocatalytic characteristics,featuring band gaps suitable for visible optical absorption and appropriate band alignments with water for effective charge carrier separation.Therefore,ternary compound TiOS holds the potential for achieving high-efficiency photochemical conversion,showing our multi-objective global optimization provides a new approach for novel environmental and energy materials design with multicomponent compounds. 展开更多
关键词 PHOTOCATALYSIS first principles calculations multi-objective global optimization
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