基于改进的禁忌搜索的蛋白质三维结构预测

禁忌搜索算法是一种局部搜索能力很强的全局迭代优化算法,已经被成功地应用到各种组合优化问题中。基于AB非格模型,该文将一种改进的禁忌搜索算法应用于蛋自质三维折叠结构预测。实验结果表明改进的禁忌算法求得的蛋白质三维最低能量构形的最低能量值比已有的算法求得的最低能量值要低,同时三维构形中形成了一个疏水核,被亲水残基包围,反映了真实蛋白质的结构特征。该算法效率高,可以有效地用于蛋白质三维折叠预测。     

进化策略的一种改进及其在蛋白质结构预测中的应用

进化策略算法是一种模拟自然界生物进化过程的全局优化方法。本文将一种改进的进化策略算法应用于蛋白质三维HPNX非格模型,较成功地预测了蛋白质序列1RPB、1BPI和1UBQ的折叠趋势,说明了三维HPNX非格模型比简化HP非格模型更能准确地描述蛋白质的折叠情况,同时表明了进化策略算法用于蛋白质结构预测问题是可行的、有效的。     

势能曲面变平法的改进及其在三维非格点模型中的应用

根据蛋白质的氨基酸序列预测其空间结构可以归纳为一个多极值的全局优化问题,缺少一种有效的全局寻优方法是阻碍这一难题解决的一个关键。势能曲面变平(ELP)法是一种启发式的全局优化算法,是一种推广的蒙特卡罗(MC)法,已被成功地应用于蛋白质结构预测问题。本文在ELP法的基础上,提出改进的势能曲面变平(ELP )算法。将ELP 算法应用于三维非格点的蛋白质AB模型,预测和发现蛋白质结构,数值实验表明ELP 算法是一种预测蛋白质结构的有效算法,计算结果优于ELP和MC算法。     

改进的势能曲面变平法在二维非格点模型中的应用

蛋白质结构预测问题是生物信息学中的一个重要问题.缺少一种有效的全局寻优方法是阻碍这一问题解决的关键.势能曲面变平(ELP)法是一种启发式的全局优化方法,是一种推广的Monte Carlo方法,已成功地应用于许多优化问题.在ELP法的基础上,提出了改进的势能曲面变平(ELP )算法.将ELP 算法应用于二维非格点的蛋白质AB模型,预测和发现四条链长分剐为13,21,34和55的氨基酸序列的蛋白质结构.数值实验表明,ELP 算法是一种预测蛋白质结构的有效算法.     

改进的牵引移动的蚁群算法在2D HP模型中的应用

蛋白质折叠问题就是从氨基酸序列中预测蛋白质的构象,该问题是生物信息学的一个突出问题。主要研究二维HP格点模型,它是用于模拟蛋白质折叠问题的一个具有代表性的简化模型,并且将蚁群算法用于求解该二维HP蛋白质的折叠问题。此外,在局部搜索机制中引入一种改进的牵引移动方法,这是一个提高蛋白质构象的有效方法。实验结果表明,针对较长的氨基酸序列,改进的带牵引移动的蚁群算法(ACO+)比ACO能够获得更低能量的构象,证明了所提出的改进蚁群算法是预测蛋白质结构的有效方法。     

改进的粒子群算法求解蛋白质结构预测问题

蛋白质的生物学功能是由其空间结构决定的,因此,蛋白质结构预测就成为生物信息学领域中极具挑战性的问题之一.粒子群算法是一种新的群智能算法,优势在于简单容易实现,又有深刻的智能背景.在优化领域,粒子群算法适用 于求解连续优化问题,而基于HP格点模型的蛋白质结构预测问题是一个离散问题.因此,文中通过借鉴单点调整算法的思...     

禁忌搜索算法在蛋白质结构预测中应用

一种氨基酸序列只可能有一种蛋白质结构,所以在蛋白质理论预测中,正确定义能量函数、精确选用的计算机搜寻算法来寻找能量最低值,是蛋白质结构预测的关键。基于此,本文以两两残基之间距离分布和二面角分布符合玻尔兹曼定理,提出了一种抽象的蛋白质三维结构连续物理数学模型。然后应用了禁忌搜索算法很好的计算了牛胰岛素B(D)主链走向;比较计算了氨基酸序列最低能量的全局最优点。     

求解蛋白质折叠构形预测问题的PERM改进算法

PERM算法用来求解蛋白质折叠构形预测问题具有非常高的效率。本文介绍了PERM算法的思想，并详细介绍了一种我们改进的PERM算法。使用该算法求解蛋白质折叠构形预测的二维HP格点模型取得了相当好的计算结果。     

多种群遗传算法在蛋白质三维结构预测中的应用

通过蛋白质的氨基酸序列预测其空间结构可归结为一个多变量多极值的全局优化问题。本文在三维AB非格模型的基础上,采用多种群遗传算法来预测蛋白质三维结构。它结合了不同种群的全局搜索和局部搜索能力,较好地克服了传统的遗传算法易陷入局部最优、收敛慢等缺点。在目前广泛使用的斐波纳契序列上进行实验,结果表明该算法具有良好的性能和精度。     

考虑随机旅行时间与二维装载约束的越库配送车辆路径优化

面向越库配送模式下二维装载和车辆路径联合优化,考虑现实配送过程的不确定性因素,提出考虑随机旅行时间和二维装载约束的越库配送车辆路径问题.基于蒙特卡洛模拟与场景分析方法,建立以运输成本、车辆固定成本以及时间窗期望惩罚成本之和最小化为目标的带修正随机规划模型.继而根据问题特征,设计改进的自适应禁忌搜索算法和基于禁忌搜索的多重排序最佳适应装箱算法进行求解.其中,改进的自适应禁忌搜索算法在禁忌搜索算法的基础上引入自适应机制,对不同邻域算子进行动态选择,并提出基于移除-修复策略的多样性机制以增强算法的寻优能力.数值实验表明,所提出的模型与方法能够有效求解考虑随机旅行时间和二维装载约束的越库配送车辆路径问题,自适应与多样性机制能一定程度上增强算法的全局搜索能力.     

Cultural algorithms: a Tabu search approach for the optimization of engineering design problems

Cultural Algorithms and Tabu search algorithms are both powerful tools to solve intricate constrained engineering and large-scale multi-modal optimization problems. In this paper, we introduce a hybrid approach that combines Cultural Algorithms and Tabu search (CA–TS). Here, Tabu Search is used to transform History Knowledge in the Belief Space from a passive knowledge source to an active one. In each generation of the Cultural Algorithm, we calculate the best individual solution and then seek the best new neighbor of that solution in the social network for that population using Tabu search. In order to speed up the convergence process through knowledge dissemination, simple forms of social network topologies were used to describe the connectivity of individual solutions. This can reduce the number of needed generations while maintaining accuracy and increasing the search radius when needed. The integration of the Tabu search algorithm as a local enhancement process enables CA–TS to leap over false peaks and local optima. The proposed hybrid algorithm is applied to a set of complex non-linear constrained engineering optimization design problems. Furthermore, computational results are discussed to show that the algorithm can produce results that are comparable or superior to those of other well-known optimization algorithms from the literature, and can improve the performance and the speed of convergence with a reduced communication cost.     

基于禁忌搜索的动态粒子群算法

惯性权重线性递减的线性群粒子算法往往不能反映实际的优化搜索过程。动态粒子群算法虽然能较好地实现非线性的搜索,但是更容易陷入局部最优。提出了基于禁忌搜索的动态粒子群算法,引入了禁忌搜索的思想,来解决动态粒子群算法的容易陷入局部最优问题;并对禁忌公式进行了修改,使其不仅可以解决极小值最优问题,也可以解决极大值最优问题。根据实验结果,改进的算法不仅较好地避免了陷入局部最优,而且收敛速度也有提高。     

Fine-tuning a Tabu Search Algorithm with Statistical Tests

Tabu Search is a metaheuristic that has proven to be very effective for solving various types of combinatorial optimization problems. To achieve the best results with a tabu search algorithm, significant benefits can sometimes be gained by determining preferred values for certain search parameters such as tabu tenures, move selection probabilities, the timing and structure of elite solution recovery for intensification, etc. In this paper, we present and implement some new ideas for fine-tuning a tabu search algorithm using statistical tests. Although the focus of this work is to improve a particular tabu search algorithm developed for solving a telecommunications network design problem, the implications are quite general. The same ideas and procedures can easily be adapted and applied to other tabu search algorithms as well.     

Tabu搜索算法应用于多级路由问题

无级电话网中的路由迂回方案可以是多级的，多级路由方案问题是一个复杂度很高的问题，两级Tabu搜索算法的特征是宏观层控制和指导宏观区域的搜索，微观层搜索负责局部区域的集中搜索，该算法成功解决了多级路由问题，两级Tabu搜索算法是一个通用的算法，适用于具有巨大状态空间的组合优化问题。     

A New Composite Algorithm for Clustering Problems

This paper presents a composite algorithm for solving a class of clustering problems. A quadratic programming formulation of these problems is considered to be solved by the proposed algorithm. In this algorithm a class of non-convex optimization techniques is applied to an approximated variation of the problem and subsequently a local search scheme is incorporated for the final improvement of obtained solutions. The efficiency of the proposed algorithm is evaluated in comparison with Simulated Annealing and Tabu Search algorithms by exploiting a series of real life data from the literature as well as randomly generated data.     

Optimal process design of two-stage multiple responses grinding processes using desirability functions and metaheuristic technique

Two-stage grinding processes in mass-scale manufacturing unit are usually too complex to optimize, due to large number of interacting process variables, between and within the stages. Furthermore, statistical design of experiment techniques, such as factorial design, fractional factorial and response surface design by sequential experimentations, to determine the exact optimal process design for the overall interdependent two-stage system, are sometimes too difficult to implement, if not impossible. In this context, considering each stage in isolation and determining individual optimal conditions may not result in an optimal process design, when the entire two-stage system is considered. The aim of this study is to apply empirical modelling technique based on direct observations, for prediction of a two-stage grinding process behaviour having multiple response characteristics of continuous variables, and determine overall optimal process design to meet the specific customer requirements. In order to achieve the above goal, the study proposes an integrated approach using multivariate regression, desirability function, and metaheuristic search technique. Three different metaheuristic search techniques, viz. real-coded genetic algorithm, simulated annealing, and a modified Tabu search based on novel Mahalanobis multivariate distance approach to identify Tabu moves, are employed to determining near optimal path conditions for an industrial case study of two-stage CNC grinding (honing) optimization problem, having various process and variable constraints. Computational study results based on different metaheuristics, and applied on the same two-stage optimization problem, show that the modified Tabu search performs better and also offer opportunities to be extended for other multi-stage metal-cutting process optimization problems.     

基于混合改进GSO与GRNN并行集成学习模型

针对萤火虫群优化算法(GSO)不稳定、收敛速度较慢与收敛精度较低等问题和广义回归神经网络(GRNN)的网络结构导致预测误差的特性,提出基于混合改进萤火虫群算法与广义回归神经网络并行集成学习模型,应用于雾霾预测.首先构建融合多种搜索策略的混合改进萤火虫群优化算法(HIGSO),并使用标准测试函数验证算法性能.然后结合HIGSO与引入扰动因子的GRNN模型,建立并行集成学习模型,并通过UCI标准数据集验证模型的有效性与可行性.最后将模型应用于北京、上海和广州地区的雾霾预测,进一步验证模型在雾霾预测中的性能.     

基于混合遗传算法的重入式流水线调度研究

针对可重入式生产流水线的大规模调度优化问题,提出了一种改进的混合遗传算法。在计算适应值的过程中利用信息素算法的正反馈机制,解决工件在重入环节的竞争问题。并将禁忌搜索算法中独有的记忆功能引入到遗传算法的交叉与变异的进化过程中,可以有效的避免算法早熟和迂回搜索。通过实例仿真,表明改进后的算法相比于普通的遗传算法不仅有较强的收敛性,并且具有更快的寻优功能,是解决复杂调度问题的有效算法。     

Tabu搜索算法在电话网智能管理中的应用

针对电话网智能管理系统中动态路由方案的实现,研究了采用Tabu搜索算法解决路由方案的问题.对Tabu搜索算法作了改进,使得它可以用来解决电话网的电路自动调度问题,并且得到了较好的结果.改进后的Tabu算法与遗传算法相比,能够在较短的时间内计算得到全局优化的路由方案.该算法正在广东省电话网智能管理系统中所使用.