The inversions of complex geophysical data always solve multi-parameter, nonlinear, and multimodal optimization problems. Searching for the optimal inversion solutions is similar to the social behavior observed in swa...The inversions of complex geophysical data always solve multi-parameter, nonlinear, and multimodal optimization problems. Searching for the optimal inversion solutions is similar to the social behavior observed in swarms such as birds and ants when searching for food. In this article, first the particle swarm optimization algorithm was described in detail, and ant colony algorithm improved. Then the methods were applied to three different kinds of geophysical inversion problems： （1） a linear problem which is sensitive to noise, （2） a synchronous inversion of linear and nonlinear problems, and （3） a nonlinear problem. The results validate their feasibility and efficiency. Compared with the conventional genetic algorithm and simulated annealing, they have the advantages of higher convergence speed and accuracy. Compared with the quasi-Newton method and Levenberg-Marquardt method, they work better with the ability to overcome the locally optimal solutions.展开更多
Northeast India has a good deposit of sub-bituminous tertiary coal. The northeast Indian coals have unusual physico-chemical characteristics such as high sulfur, volatile matter and vitrinite content, and low ash cont...Northeast India has a good deposit of sub-bituminous tertiary coal. The northeast Indian coals have unusual physico-chemical characteristics such as high sulfur, volatile matter and vitrinite content, and low ash content. In addition, many environmental sensitive organic and mineral bound elements such as Fe, Mg, Bi, AI, V, Cu, Cd, Ni, Pb, and Mn etc. remain enriched in these coals. Such characteristics are associated with more severe environmental impacts due to mining and its utilization in coal based industries. Environmental challenges include large scale landscape damage, soil erosion, loss of forest ecosystem and wildlife habitat, air, water and soil pollution. Several physical and chemical methods are reported in literature for the removal of mineral matter, total sulfur and different forms of sulfur from high sulfur coal in northeast India. This paper may help different researchers and stakeholders to understand current state of research in the field. Initiatives may be taken towards sustainable use of coal resources by adopting innovative clean technologies and by implementing effective control measures and regulatory policies.展开更多
In this paper, a novel approach termed process goose queue (PGQ) is suggested to deal with real-time optimization (RTO) of chemical plants. Taking advantage of the ad-hoc structure of PGQ which imitates biologic natur...In this paper, a novel approach termed process goose queue (PGQ) is suggested to deal with real-time optimization (RTO) of chemical plants. Taking advantage of the ad-hoc structure of PGQ which imitates biologic nature of flying wild geese, a chemical plant optimization problem can be re-formulated as a combination of a multi-layer PGQ and a PGQ-Objective according to the relationship among process variables involved in the objective and constraints. Subsequently, chemical plant RTO solutions are converted into coordination issues among PGQs which could be dealt with in a novel way. Accordingly, theoretical definitions, adjustment rule and implementing procedures associated with the approach are explicitly introduced together with corresponding enabling algorithms. Finally, an exemplary chemical plant is employed to demonstrate the feasibility and validity of the contribution.展开更多
Carbon nanotube(CNT)/polymer nanocomposites have vast application in industry because of their light mass and high strength. In this work, a cylindrical tube which is made up of functionally graded(FG) PmP V/CNT nanoc...Carbon nanotube(CNT)/polymer nanocomposites have vast application in industry because of their light mass and high strength. In this work, a cylindrical tube which is made up of functionally graded(FG) PmP V/CNT nanocomposite, is optimally designed for the purpose of torque transmission. The main confining parameters of a rotating shaft in torque transmission process are mass of the shaft, critical speed of rotation and critical buckling torque. It is required to solve a multi-objective optimization problem(MOP) to consider these three targets simultaneously in the process of design. The three-objective optimization problem for this case is defined and solved using a hybrid method of FEM and modified non-dominated sorting genetic algorithm(NSGA-II), by coupling two softwares, MATLAB and ABAQUS. Optimization process provides a set of non-dominated optimal design vectors. Then, two methods, nearest to ideal point(NIP) and technique for ordering preferences by similarity to ideal solution(TOPSIS), are employed to choose trade-off optimum design vectors. Optimum parameters that are obtained from this work are compared with the results of previous studies for similar cylindrical tubes made from composite or a hybrid of aluminum and composite that more than 20% improvement is observed in all of the objective functions.展开更多
The homogenization of a class of degenerate quasilinear parabolic equations is studied. The Ap weight theory and the classical compensated compactness method are incorporated to obtain the homogenized equation.
This paper is an attempt to bring to the foreground a better understanding and appreciation of the work and impact of an Arab Muslim woman writer whose work, characters, thoughts, settings, and words sink very sensiti...This paper is an attempt to bring to the foreground a better understanding and appreciation of the work and impact of an Arab Muslim woman writer whose work, characters, thoughts, settings, and words sink very sensitively into the depth of being of her oriental women characters. They are very local and they reflect a typical oriental and distinct religious sentiment, along with an underlying predicament or suffering because of some lack in their love life, both emotional and sexual. This paper will attempt to analyze how the short story written by Alifa Rifaat （1987） deal with the thorny issues Of religiosity and sexuality that might appear as two opposing poles, yet they mix and blend within same characters exposing different aspects of the human being living within dilemmas of personal needs and social dictates of tradition, taboo, and culture. For a non Arab reader, this should be an interesting and informative cross-cultural issue.展开更多
In this paper, we consider the Cauchy problem of degenerate parabolic equation not in divergence form u, = uPAu ＋ uq, p 〉 1, q 〉 1, and give the blow-up conditions and the critical Fujita exponents for the existenc...In this paper, we consider the Cauchy problem of degenerate parabolic equation not in divergence form u, = uPAu ＋ uq, p 〉 1, q 〉 1, and give the blow-up conditions and the critical Fujita exponents for the existence of global and non-global solutions to the Cauchy problem.展开更多
This paper presents an optimization model for solving the planning problem of collection and transportation of solid waste in medium-sized cities. As final results, are expected to promote cost savings to the public c...This paper presents an optimization model for solving the planning problem of collection and transportation of solid waste in medium-sized cities. As final results, are expected to promote cost savings to the public coffers, as well as environmental benefits. The developed mathematical model is formulated as a problem of linear programming with mixed-integer variables and transcribed into software GAMS （general algebraic modeling system）. The practical application was tested using data collected in the central region of a Brazilian city with approximately 90,000 inhabitants. The deterministic model used allowed an optimal solution. It was found after inclusion of restrictions that eliminated the appearance of sub-routes. It was concluded that the optimal routes allow for a 38% reduction in total distance traveled, which can generate savings of $320.00 per day regarding maintenance and fuel trucks.展开更多
By adopting the distributed problem-solving strategy, swarm intelligence algorithms have been successfully applied to many optimization problems that are difficult to deal with using traditional methods. At present, t...By adopting the distributed problem-solving strategy, swarm intelligence algorithms have been successfully applied to many optimization problems that are difficult to deal with using traditional methods. At present, there are many well-implemented algorithms, such as particle swarm optimization, genetic algorithm, artificial bee colony algorithm, and ant colony optimization. These algorithms have already shown favorable performances. However, with the objects becoming increasingly complex, it is becoming gradually more difficult for these algorithms to meet human＇s demand in terms of accuracy and time. Designing a new algorithm to seek better solutions for optimization problems is becoming increasingly essential. Dolphins have many noteworthy biological characteristics and living habits such as echolocation, information exchanges, cooperation, and division of labor. Combining these biological characteristics and living habits with swarm intelligence and bringing them into optimization problems, we propose a brand new algorithm named the ‘dolphin swarm algorithm＇ in this paper. We also provide the definitions of the algorithm and specific descriptions of the four pivotal phases in the algorithm, which are the search phase, call phase, reception phase, and predation phase. Ten benchmark functions with different properties are tested using the dolphin swarm algorithm, particle swarm optimization, genetic algorithm, and artificial bee colony algorithm. The convergence rates and benchmark function results of these four algorithms are compared to testify the effect of the dolphin swarm algorithm. The results show that in most cases, the dolphin swarm algorithm performs better. The dolphin swarm algorithm possesses some great features, such as first-slow-then-fast convergence, periodic convergence, local-optimum-free, and no specific demand on benchmark functions. Moreover, the dolphin swarm algorithm is particularly appropriate to optimization problems, with more calls of fitness functions and fewer individuals.展开更多
The mobility and bioavailability of selenium is a major health and environmental issue and a main concern for geological disposal of high-level radioactive waste. Chemically and/or microbially mediated oxidation of in...The mobility and bioavailability of selenium is a major health and environmental issue and a main concern for geological disposal of high-level radioactive waste. Chemically and/or microbially mediated oxidation of insoluble Se-bearing particulate, such as iron selenides, to dissolved and mobile phases controls the transport and distribution of Se in the environment. The oxidation of ferroselite （FeSe2） by ferric iron was investigated in anoxic conditions. The redox reaction can be represented by： FeSe2 ＋ 2Fe3＋ = 2Se^0 ＋ 3Fe2＋. Kinetic studies indicated that the reaction can be described by second-order rate law, with rate constants of 0.49±0.01, 0.85±0.02, 1.84±0.04, and 3.29±0.13 L mol^-1 s^-1 at pH 1.62, 1.87, 2.23, and 2.49, respectively. The positive correlation between reaction rate and pH implies that diffusion of Fe3＋ oxidant to the mineral surface is the rate-determining step. The strong reactivity of FeSe2 towards Fe^3＋ suggests that ferric iron may play a significant role in FeSe2 oxidation process （e.g., by Se^4＋, 02, etc.） and Se^0 should be the first reaction product. Also, it was shown that the reduction rate of Fe^3＋ or Se^4＋ by pyrite （FeS2） can be significantly increased in the presence of FeSe2, suggesting a stronger reactivity of FeSe2 compared with pyrite. The results obtained extend our knowledge about the subtle interaction between Se, pyrite and iron selenides in the environment, and give insight into the transfer of selenium from iron selenides to bio-available selenium （i.e., selenite and selenate） in the Se-rich environment.展开更多
Consider the initial boundary value problem of the strong degenerate parabolic equation ?_(xx)u + u?_yu-?_tu = f(x, y, t, u),(x, y, t) ∈ Q_T = Ω×(0, T)with a homogeneous boundary condition. By introducing a new...Consider the initial boundary value problem of the strong degenerate parabolic equation ?_(xx)u + u?_yu-?_tu = f(x, y, t, u),(x, y, t) ∈ Q_T = Ω×(0, T)with a homogeneous boundary condition. By introducing a new kind of entropy solution, according to Oleinik rules, the partial boundary condition is given to assure the well-posedness of the problem. By the parabolic regularization method, the uniform estimate of the gradient is obtained, and by using Kolmogoroff 's theorem, the solvability of the equation is obtained in BV(Q_T) sense. The stability of the solutions is obtained by Kruzkov's double variables method.展开更多
The authors investigate an inverse problem of determining the radiative coefficient in a degenerate parabolic equation from the final overspecified data. Being different from other inverse coefficient problems in whic...The authors investigate an inverse problem of determining the radiative coefficient in a degenerate parabolic equation from the final overspecified data. Being different from other inverse coefficient problems in which the principle coefficients are assumed to be strictly positive definite, the mathematical model discussed in this paper belongs to the second order parabolic equations with non-negative characteristic form, namely, there exists a degeneracy on the lateral boundaries of the domain. Based on the optimal control framework, the problem is transformed into an optimization problem and the existence of the minimizer is established. After the necessary conditions which must be satisfied by the minimizer are deduced, the uniqueness and stability of the minimizer are proved. By minor modification of the cost functional and some a priori regularity conditions imposed on the forward operator, the convergence of the minimizer for the noisy input data is obtained in this paper. The results can be extended to more general degenerate parabolic equations.展开更多
In this paper, a new evolutionary algorithm based on a membrane system is proposed to solve the dynamic or uncertain optimization problems. The proposed algorithm employs objects, a dynamical membrane structure and se...In this paper, a new evolutionary algorithm based on a membrane system is proposed to solve the dynamic or uncertain optimization problems. The proposed algorithm employs objects, a dynamical membrane structure and several reaction rules of the membrane systems. The object represents a candidate solution of the optimization problems. The dynamical structure consists of the nested membranes where a skin membrane contains several membranes, which is useful for the proposed algorithm that finds optimal solutions. The reaction rules are designed to locate and track the optimal solutions of the dynamic optimization problems （DOPs）, which are inspired by processing the chemical compounds in the region of cellular membranes. Experimental study is conducted based on the moving peaks benchmark to evaluate the performance of the proposed algorithm in comparison with three state-of-the-art dynamic optimization algorithms. The results indicate the proposed algorithm is effective to solve the DOPs.展开更多
Molecular docking is an important tool in screening large libraries of compounds to determine the interactions between potential drugs and the target proteins. The molec- ular docking problem is how to locate a good c...Molecular docking is an important tool in screening large libraries of compounds to determine the interactions between potential drugs and the target proteins. The molec- ular docking problem is how to locate a good conformation to dock a ligand to the large molecule. It can be formulated as a parameter optimization problem consisting of a scoring function and a global optimization method. Many docking methods have been developed with primarily these two parts varying. In this paper, a variety of particle swarm optimization （PSO） variants were introduced to cooperate with the semiempir- ical free energy force field in AutoDock 4.05. The search ability and the docking accu- racy of these methods were evaluated by multiple redocking experiments. The results demonstrate that PSOs were more suitable than Lamarckian genetic algorithm （LGA）. Among all of the PSO variants, FIPS takes precedence over others. Compared with the four state-of-art docking methods-GOLD, DOCK, FlexX and AutoDock with LGA, AutoDock cooperated with FIPS is more accurate. Thus, FIPS is an efficient PSO vari- ant which has promising prospects that can be expected in the application to virtual screening.展开更多
基金supported by the 973 Program(Grant No 2007CB209600)Open Fund(No.GDL0706) of the Key Laboratory of Geo-detection(China University of Geosciences,Beijing),Ministry of Education
文摘The inversions of complex geophysical data always solve multi-parameter, nonlinear, and multimodal optimization problems. Searching for the optimal inversion solutions is similar to the social behavior observed in swarms such as birds and ants when searching for food. In this article, first the particle swarm optimization algorithm was described in detail, and ant colony algorithm improved. Then the methods were applied to three different kinds of geophysical inversion problems： （1） a linear problem which is sensitive to noise, （2） a synchronous inversion of linear and nonlinear problems, and （3） a nonlinear problem. The results validate their feasibility and efficiency. Compared with the conventional genetic algorithm and simulated annealing, they have the advantages of higher convergence speed and accuracy. Compared with the quasi-Newton method and Levenberg-Marquardt method, they work better with the ability to overcome the locally optimal solutions.
文摘Northeast India has a good deposit of sub-bituminous tertiary coal. The northeast Indian coals have unusual physico-chemical characteristics such as high sulfur, volatile matter and vitrinite content, and low ash content. In addition, many environmental sensitive organic and mineral bound elements such as Fe, Mg, Bi, AI, V, Cu, Cd, Ni, Pb, and Mn etc. remain enriched in these coals. Such characteristics are associated with more severe environmental impacts due to mining and its utilization in coal based industries. Environmental challenges include large scale landscape damage, soil erosion, loss of forest ecosystem and wildlife habitat, air, water and soil pollution. Several physical and chemical methods are reported in literature for the removal of mineral matter, total sulfur and different forms of sulfur from high sulfur coal in northeast India. This paper may help different researchers and stakeholders to understand current state of research in the field. Initiatives may be taken towards sustainable use of coal resources by adopting innovative clean technologies and by implementing effective control measures and regulatory policies.
文摘In this paper, a novel approach termed process goose queue (PGQ) is suggested to deal with real-time optimization (RTO) of chemical plants. Taking advantage of the ad-hoc structure of PGQ which imitates biologic nature of flying wild geese, a chemical plant optimization problem can be re-formulated as a combination of a multi-layer PGQ and a PGQ-Objective according to the relationship among process variables involved in the objective and constraints. Subsequently, chemical plant RTO solutions are converted into coordination issues among PGQs which could be dealt with in a novel way. Accordingly, theoretical definitions, adjustment rule and implementing procedures associated with the approach are explicitly introduced together with corresponding enabling algorithms. Finally, an exemplary chemical plant is employed to demonstrate the feasibility and validity of the contribution.
文摘Carbon nanotube(CNT)/polymer nanocomposites have vast application in industry because of their light mass and high strength. In this work, a cylindrical tube which is made up of functionally graded(FG) PmP V/CNT nanocomposite, is optimally designed for the purpose of torque transmission. The main confining parameters of a rotating shaft in torque transmission process are mass of the shaft, critical speed of rotation and critical buckling torque. It is required to solve a multi-objective optimization problem(MOP) to consider these three targets simultaneously in the process of design. The three-objective optimization problem for this case is defined and solved using a hybrid method of FEM and modified non-dominated sorting genetic algorithm(NSGA-II), by coupling two softwares, MATLAB and ABAQUS. Optimization process provides a set of non-dominated optimal design vectors. Then, two methods, nearest to ideal point(NIP) and technique for ordering preferences by similarity to ideal solution(TOPSIS), are employed to choose trade-off optimum design vectors. Optimum parameters that are obtained from this work are compared with the results of previous studies for similar cylindrical tubes made from composite or a hybrid of aluminum and composite that more than 20% improvement is observed in all of the objective functions.
基金the Foundations of Returned Overseas Chinese Education Ministry and the Key Teachers Foundation of Chongqing University.
文摘The homogenization of a class of degenerate quasilinear parabolic equations is studied. The Ap weight theory and the classical compensated compactness method are incorporated to obtain the homogenized equation.
文摘This paper is an attempt to bring to the foreground a better understanding and appreciation of the work and impact of an Arab Muslim woman writer whose work, characters, thoughts, settings, and words sink very sensitively into the depth of being of her oriental women characters. They are very local and they reflect a typical oriental and distinct religious sentiment, along with an underlying predicament or suffering because of some lack in their love life, both emotional and sexual. This paper will attempt to analyze how the short story written by Alifa Rifaat （1987） deal with the thorny issues Of religiosity and sexuality that might appear as two opposing poles, yet they mix and blend within same characters exposing different aspects of the human being living within dilemmas of personal needs and social dictates of tradition, taboo, and culture. For a non Arab reader, this should be an interesting and informative cross-cultural issue.
文摘In this paper, we consider the Cauchy problem of degenerate parabolic equation not in divergence form u, = uPAu ＋ uq, p 〉 1, q 〉 1, and give the blow-up conditions and the critical Fujita exponents for the existence of global and non-global solutions to the Cauchy problem.
文摘This paper presents an optimization model for solving the planning problem of collection and transportation of solid waste in medium-sized cities. As final results, are expected to promote cost savings to the public coffers, as well as environmental benefits. The developed mathematical model is formulated as a problem of linear programming with mixed-integer variables and transcribed into software GAMS （general algebraic modeling system）. The practical application was tested using data collected in the central region of a Brazilian city with approximately 90,000 inhabitants. The deterministic model used allowed an optimal solution. It was found after inclusion of restrictions that eliminated the appearance of sub-routes. It was concluded that the optimal routes allow for a 38% reduction in total distance traveled, which can generate savings of $320.00 per day regarding maintenance and fuel trucks.
基金Project supported by the National Key Technology R&D Program of China(No.2014BAD10B02)
文摘By adopting the distributed problem-solving strategy, swarm intelligence algorithms have been successfully applied to many optimization problems that are difficult to deal with using traditional methods. At present, there are many well-implemented algorithms, such as particle swarm optimization, genetic algorithm, artificial bee colony algorithm, and ant colony optimization. These algorithms have already shown favorable performances. However, with the objects becoming increasingly complex, it is becoming gradually more difficult for these algorithms to meet human＇s demand in terms of accuracy and time. Designing a new algorithm to seek better solutions for optimization problems is becoming increasingly essential. Dolphins have many noteworthy biological characteristics and living habits such as echolocation, information exchanges, cooperation, and division of labor. Combining these biological characteristics and living habits with swarm intelligence and bringing them into optimization problems, we propose a brand new algorithm named the ‘dolphin swarm algorithm＇ in this paper. We also provide the definitions of the algorithm and specific descriptions of the four pivotal phases in the algorithm, which are the search phase, call phase, reception phase, and predation phase. Ten benchmark functions with different properties are tested using the dolphin swarm algorithm, particle swarm optimization, genetic algorithm, and artificial bee colony algorithm. The convergence rates and benchmark function results of these four algorithms are compared to testify the effect of the dolphin swarm algorithm. The results show that in most cases, the dolphin swarm algorithm performs better. The dolphin swarm algorithm possesses some great features, such as first-slow-then-fast convergence, periodic convergence, local-optimum-free, and no specific demand on benchmark functions. Moreover, the dolphin swarm algorithm is particularly appropriate to optimization problems, with more calls of fitness functions and fewer individuals.
基金supported by the Special Foundation for High-Level Radioactive Waste Disposal(2007-840,2012-851)the National Natural Science Foundation of China(11075006,91026010)+1 种基金the China Postdoctoral Science Foundation Project(2013M530013)the Collaborative Project from the Key Laboratory of Mineralogy and Metallogeny,Guangzhou Institute of Geochemistry,Chinese Academy of Sciences(KLMM20120203)
文摘The mobility and bioavailability of selenium is a major health and environmental issue and a main concern for geological disposal of high-level radioactive waste. Chemically and/or microbially mediated oxidation of insoluble Se-bearing particulate, such as iron selenides, to dissolved and mobile phases controls the transport and distribution of Se in the environment. The oxidation of ferroselite （FeSe2） by ferric iron was investigated in anoxic conditions. The redox reaction can be represented by： FeSe2 ＋ 2Fe3＋ = 2Se^0 ＋ 3Fe2＋. Kinetic studies indicated that the reaction can be described by second-order rate law, with rate constants of 0.49±0.01, 0.85±0.02, 1.84±0.04, and 3.29±0.13 L mol^-1 s^-1 at pH 1.62, 1.87, 2.23, and 2.49, respectively. The positive correlation between reaction rate and pH implies that diffusion of Fe3＋ oxidant to the mineral surface is the rate-determining step. The strong reactivity of FeSe2 towards Fe^3＋ suggests that ferric iron may play a significant role in FeSe2 oxidation process （e.g., by Se^4＋, 02, etc.） and Se^0 should be the first reaction product. Also, it was shown that the reduction rate of Fe^3＋ or Se^4＋ by pyrite （FeS2） can be significantly increased in the presence of FeSe2, suggesting a stronger reactivity of FeSe2 compared with pyrite. The results obtained extend our knowledge about the subtle interaction between Se, pyrite and iron selenides in the environment, and give insight into the transfer of selenium from iron selenides to bio-available selenium （i.e., selenite and selenate） in the Se-rich environment.
基金supported by the National Natural Science Foundation of China(No.11371297)the Science Foundation of Xiamen University of Technology(No.XYK201448)
文摘Consider the initial boundary value problem of the strong degenerate parabolic equation ?_(xx)u + u?_yu-?_tu = f(x, y, t, u),(x, y, t) ∈ Q_T = Ω×(0, T)with a homogeneous boundary condition. By introducing a new kind of entropy solution, according to Oleinik rules, the partial boundary condition is given to assure the well-posedness of the problem. By the parabolic regularization method, the uniform estimate of the gradient is obtained, and by using Kolmogoroff 's theorem, the solvability of the equation is obtained in BV(Q_T) sense. The stability of the solutions is obtained by Kruzkov's double variables method.
基金supported by the National Natural Science Foundation of China(Nos.11061018,11261029)the Youth Foundation of Lanzhou Jiaotong University(No.2011028)+1 种基金the Long Yuan Young Creative Talents Support Program(No.252003)the Joint Funds of the Gansu Provincial Natural Science Foundation of China(No.1212RJZA043)
文摘The authors investigate an inverse problem of determining the radiative coefficient in a degenerate parabolic equation from the final overspecified data. Being different from other inverse coefficient problems in which the principle coefficients are assumed to be strictly positive definite, the mathematical model discussed in this paper belongs to the second order parabolic equations with non-negative characteristic form, namely, there exists a degeneracy on the lateral boundaries of the domain. Based on the optimal control framework, the problem is transformed into an optimization problem and the existence of the minimizer is established. After the necessary conditions which must be satisfied by the minimizer are deduced, the uniqueness and stability of the minimizer are proved. By minor modification of the cost functional and some a priori regularity conditions imposed on the forward operator, the convergence of the minimizer for the noisy input data is obtained in this paper. The results can be extended to more general degenerate parabolic equations.
文摘In this paper, a new evolutionary algorithm based on a membrane system is proposed to solve the dynamic or uncertain optimization problems. The proposed algorithm employs objects, a dynamical membrane structure and several reaction rules of the membrane systems. The object represents a candidate solution of the optimization problems. The dynamical structure consists of the nested membranes where a skin membrane contains several membranes, which is useful for the proposed algorithm that finds optimal solutions. The reaction rules are designed to locate and track the optimal solutions of the dynamic optimization problems （DOPs）, which are inspired by processing the chemical compounds in the region of cellular membranes. Experimental study is conducted based on the moving peaks benchmark to evaluate the performance of the proposed algorithm in comparison with three state-of-the-art dynamic optimization algorithms. The results indicate the proposed algorithm is effective to solve the DOPs.
基金This work was under Grand by the Natural Science Foundation of China （No. 60803074）, and the Fundamental Research Funds for the Central Universi- ties （No. DUT10JR06）.
文摘Molecular docking is an important tool in screening large libraries of compounds to determine the interactions between potential drugs and the target proteins. The molec- ular docking problem is how to locate a good conformation to dock a ligand to the large molecule. It can be formulated as a parameter optimization problem consisting of a scoring function and a global optimization method. Many docking methods have been developed with primarily these two parts varying. In this paper, a variety of particle swarm optimization （PSO） variants were introduced to cooperate with the semiempir- ical free energy force field in AutoDock 4.05. The search ability and the docking accu- racy of these methods were evaluated by multiple redocking experiments. The results demonstrate that PSOs were more suitable than Lamarckian genetic algorithm （LGA）. Among all of the PSO variants, FIPS takes precedence over others. Compared with the four state-of-art docking methods-GOLD, DOCK, FlexX and AutoDock with LGA, AutoDock cooperated with FIPS is more accurate. Thus, FIPS is an efficient PSO vari- ant which has promising prospects that can be expected in the application to virtual screening.
