• Title/Summary/Keyword: Search space

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Recent Development of Search Algorithm on Small Molecule Docking (소분자 도킹에서의 탐색알고리듬의 현황)

  • Chung, Hwan Won;Cho, Seung Joo
    • Journal of Integrative Natural Science
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    • v.2 no.2
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    • pp.55-58
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    • 2009
  • A ligand-receptor docking program is an indispensible tool in modern pharmaceutical design. An accurate prediction of small molecular docking pose to a receptor is essential in drug design as well as molecular recognition. An effective docking program requires the ability to locate a correct binding pose in a surprisingly complex conformational space. However, there is an inherent difficulty to predict correct binding pose. The odds are more demanding than finding a needle in a haystack. This mainly comes from the flexibility of both ligand and receptor. Because the searching space to consider is so vast, receptor rigidity has been often applied in docking programs. Even nowadays the receptor may not be considered to be fully flexible although there have been some progress in search algorithm. Improving the efficiency of searching algorithm is still in great demand to explore other applications areas with inherently flexible ligand and/or receptor. In addition to classical search algorithms such as molecular dynamics, Monte Carlo, genetic algorithm and simulated annealing, rather recent algorithms such as tabu search, stochastic tunneling, particle swarm optimizations were also found to be effective. A good search algorithm would require a good balance between exploration and exploitation. It would be a good strategy to combine algorithms already developed. This composite algorithms can be more effective than an individual search algorithms.

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Subspace search mechanism and cuckoo search algorithm for size optimization of space trusses

  • Kaveh, A.;Bakhshpoori, T.
    • Steel and Composite Structures
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    • v.18 no.2
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    • pp.289-303
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    • 2015
  • This study presents a strategy so-called Subspace Search Mechanism (SSM) for reducing the computational time for convergence of population based metaheusristic algorithms. The selected metaheuristic for this study is the Cuckoo Search algorithm (CS) dealing with size optimization of trusses. The complexity of structural optimization problems can be partially due to the presence of high-dimensional design variables. SSM approach aims to reduce dimension of the problem. Design variables are categorized to predefined groups (subspaces). SSM focuses on the multiple use of the metaheuristic at hand for each subspace. Optimizer updates the design variables for each subspace independently. Updating rules require candidate designs evaluation. Each candidate design is the assemblage of responsible set of design variables that define the subspace of interest. SSM is incorporated to the Cuckoo Search algorithm for size optimizing of three small, moderate and large space trusses. Optimization results indicate that SSM enables the CS to work with less number of population (42%), as a result reducing the time of convergence, in exchange for some accuracy (1.5%). It is shown that the loss of accuracy can be lessened with increasing the order of complexity. This suggests its applicability to other algorithms and other complex finite element-based engineering design problems.

Modified Binary Particle Swarm Optimization using Genotype-Phenotype Concept (Version 2) (유전자형-표현형 개념을 적용한 수정된 이진 입자군집최적화 (버전 2))

  • Lim, Seungkyun;Lee, Sangwook
    • The Journal of the Korea Contents Association
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    • v.14 no.11
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    • pp.541-548
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    • 2014
  • In this paper, we introduce a second version of modified binary particle swarm optimization using a concept of genotype-phenotype in genetic algorithms. Particle swarm optimization uses an information of difference between a position of the best solution and one's own position in the process of searching optimum. To obtain this difference of positions, the first version of modified binary particle swarm optimization uses a phenotype but the proposed second version uses a genotype. We can represent the solution space in large search space by using a genotype which provides continuous whole space as search space compared to a phenotype which provides only binary information. Experimental results in 10 De Jong benchmark function show that the second version outperforms the first version in six functions which has a broad search space and many local optima.

A Reduction Method of Search Space for Polyhedral Object Recognition (다면체 인식을 위한 탐색 공간 감소 기법)

  • Lee, Sang-Yong
    • Journal of the Korean Institute of Intelligent Systems
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    • v.13 no.4
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    • pp.381-385
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    • 2003
  • We suggest a method which reduces the search space of a model-base on multiple-view approach for polyhedral object recognition using the ART-1 neural network. In this approach, the model-base is consisted of extracted features from two-dimensional projections observed at the predetermined viewpoints of a viewing sphere enclosing the object.

Hybrid evolutionary identification of output-error state-space models

  • Dertimanis, Vasilis K.;Chatzi, Eleni N.;Spiridonakos, Minas D.
    • Structural Monitoring and Maintenance
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    • v.1 no.4
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    • pp.427-449
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    • 2014
  • A hybrid optimization method for the identification of state-space models is presented in this study. Hybridization is succeeded by combining the advantages of deterministic and stochastic algorithms in a superior scheme that promises faster convergence rate and reliability in the search for the global optimum. The proposed hybrid algorithm is developed by replacing the original stochastic mutation operator of Evolution Strategies (ES) by the Levenberg-Marquardt (LM) quasi-Newton algorithm. This substitution results in a scheme where the entire population cloud is involved in the search for the global optimum, while single individuals are involved in the local search, undertaken by the LM method. The novel hybrid identification framework is assessed through the Monte Carlo analysis of a simulated system and an experimental case study on a shear frame structure. Comparisons to subspace identification, as well as to conventional, self-adaptive ES provide significant indication of superior performance.

Model-Based Tabu Search Algorithm for Free-Space Optical Communication with a Novel Parallel Wavefront Correction System

  • Li, Zhaokun;Zhao, Xiaohui;Cao, Jingtai;Liu, Wei
    • Journal of the Optical Society of Korea
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    • v.19 no.1
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    • pp.45-54
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    • 2015
  • In this study, a novel parallel wavefront correction system architecture is proposed, and a model-based tabu search (MBTS) algorithm is introduced for this new system to compensate wavefront aberration caused by atmospheric turbulence in a free-space optical (FSO) communication system. The algorithm flowchart is presented, and a simple hypothetical design for the parallel correction system with multiple adaptive optical (AO) subsystems is given. The simulated performance of MBTS for an AO-FSO system is analyzed. The results indicate that the proposed algorithm offers better performance in wavefront aberration compensation, coupling efficiency, and convergence speed than a stochastic parallel gradient descent (SPGD) algorithm.

A structural learning of MLP classifiers using species genetic algorithms (종족 유전 알고리즘을 이용한 MLP 분류기의 구조학습)

  • 신성효;김상운
    • Journal of the Korean Institute of Telematics and Electronics C
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    • v.35C no.2
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    • pp.48-55
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    • 1998
  • Structural learning methods of MLP classifiers for a given application using genetic algorithms have been studied. In the methods, however, the search space for an optimal structure is increased exponentially for the physical application of high diemension-multi calss. In this paperwe propose a method of MLP classifiers using species genetic algorithm(SGA), a modified GA. In SGA, total search space is divided into several subspaces according to the number of hidden units. Each of the subdivided spaces is called "species". We eliminate low promising species from the evoluationary process in order to reduce the search space. experimental results show that the proposed method is more efficient than the conventional genetic algorithm methods in the aspect of the misclassification ratio, the learning rate, and the structure.structure.

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A Clustering Method for Optimizing Spatial Locality (공간국부성을 최적화하는 클러스터링 방법)

  • 김홍기
    • Journal of KIISE:Databases
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    • v.31 no.2
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    • pp.83-90
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    • 2004
  • In this paper, we study the CCD(Clustering with Circular Distance) and the COD(Clustering with Obstructed Distance) problems to be considered when objects are being clustered in a circularly search space and a search space with the presence of obstacles. We also propose a now clustering algorithm for clustering efficiently objects that the insertion or the deletion is occurring frequently in multi-dimensional search space. The distance function for solving the CCD and COD Problems is defined in the Proposed clustering algorithm. This algorithm is included a clustering method to create clusters that have a high spatial locality by minimum computation time.

PdR-Tree : An Efficient Indexing Technique for the improvement of search performance in High-Dimensional Data (PdR-트리 : 고차원 데이터의 검색 성능 향상을 위한 효율적인 인덱스 기법)

  • Joh, Beom-Seok;Park, Young-Bae
    • The KIPS Transactions:PartD
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    • v.8D no.2
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    • pp.145-153
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    • 2001
  • The Pyramid-Technique is based on mapping n-dimensional space data into one-dimensional data and expressing it as B-tree ; and by solving the problem of search time complexity the pyramid technique also prevents the effect \"phenomenon of dimensional curse\" which is caused by treatment of hypercube range query in n-dimensional data space. The Spherical Pyramid-Technique applies the pyramid method’s space division strategy, uses spherical range query and improves the search performance to make it suitable for similarity search. However, depending on the size of data and change in dimensions, the two above technique demonstrate significantly inferior search performance for data sizes greater than one million and dimensions greater than sixteen. In this paper, we propose a new index-structured PdR-Tree to improve the search performance for high dimensional data such as multimedia data. Test results using simulation data as well as real data demonstrate that PdR-Tree surpasses both the Pyramid-Technique and Spherical Pyramid-Technique in terms of search performance.

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A Study on Modeling of Search Space with GA Sampling

  • Banno, Yoshifumi;Ohsaki, Miho;Yoshikawa, Tomohiro;Shinogi, Tsuyoshi;Tsuruoka, Shinji
    • Proceedings of the Korean Institute of Intelligent Systems Conference
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    • 2003.09a
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    • pp.86-89
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    • 2003
  • To model a numerical problem space under the limitation of available data, we need to extract sparse but key points from the space and to efficiently approximate the space with them. This study proposes a sampling method based on the search process of genetic algorithm and a space modeling method based on least-squares approximation using the summation of Gaussian functions. We conducted simulations to evaluate them for several kinds of problem spaces: DeJong's, Schaffer's, and our original one. We then compared the performance between our sampling method and sampling at regular intervals and that between our modeling method and modeling using a polynomial. The results showed that the error between a problem space and its model was the smallest for the combination of our sampling and modeling methods for many problem spaces when the number of samples was considerably small.

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