• Title/Summary/Keyword: Monte-Carlo algorithm

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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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Block-matching and 3D filtering algorithm in X-ray image with photon counting detector using the improved K-edge subtraction method

  • Kyuseok Kim;Youngjin Lee
    • Nuclear Engineering and Technology
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    • v.56 no.6
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    • pp.2057-2062
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    • 2024
  • Among photon counting detector (PCD)-based technologies, the K-edge subtraction (KES) method has a very high material decomposition efficiency. Yet, since the increase in noise in the X-ray image to which the KES method is applied is inevitable, research on image quality improvement is essential. Here, we modeled a block-matching and 3D filtering (BM3D) algorithm and applied it to PCD-based X-ray images with the improved KES (IKES) method. For PCD modeling, Monte Carlo simulation was used, and a phantom composed of iodine substances with different concentrations was designed. The IKES method was modeled by adding a log term to KES, and the X-ray image used for subtraction was obtained by applying the 3.0 keV range based on the K-edge region of iodine. As a result, the IKES image using the BM3D algorithm showed the lowest normalized noise power spectrum value. In addition, we confirmed that the contrast-to-noise ratio and no-reference-based evaluation results when the BM3D algorithm was applied to the IKES image were improved by 29.36 % and 20.56 %, respectively, compared to the noisy image. In conclusion, we demonstrated that the IKES imaging technique using a PCD-based detector and the BM3D algorithm fusion technique were very efficient for X-ray imaging.

Profile-based TRN/INS Integration Algorithm Considering Terrain Roughness (지형 험준도를 고려한 프로파일 기반 지형참조항법과 관성항법의 결합 알고리즘)

  • Yoo, Young Min;Lee, Sun Min;Kwon, Jay Hyun;Yu, Myeong Jong;Park, Chan Gook
    • Journal of Institute of Control, Robotics and Systems
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    • v.19 no.2
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    • pp.131-139
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    • 2013
  • In recent years alternative navigation system such as a DBRN (Data-Base Referenced Navigation) system using geophysical information is getting attention in the military navigation systems in advanced countries. Specifically TRN (Terrain Referenced Navigation) algorithm research is important because TRN system is a practical DBRN application in South Korea at present time. This paper presents an integrated navigation algorithm that combines a linear profile-based TRN and INS (Inertial Navigation System). We propose a correlation analysis method between TRN performance and terrain roughness index. Then we propose a conditional position update scheme that utilizes the position output of the conventional linear profile type TRN depending on the terrain roughness index. Performance of the proposed algorithm is verified through Monte Carlo computer simulations using the actual terrain database. The results show that the TRN/INS integrated algorithm, even when the initial INS error is present, overcomes the shortcomings of linear profile-based TRN and improves navigation performance.

Probabilistic Structural Safety Assessment Considering the Initial Shape and Non-linearity of Steel Cable-Stayed Bridges (강사장교의 초기형상과 비선형성을 고려한 확률론적 구조안전성 평가)

  • Bang, Myung-Seok;Han, Sung-Ho;Lee, Woo-Sang;Lee, Chin-Ok
    • Journal of the Korean Society of Safety
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    • v.25 no.3
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    • pp.91-99
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    • 2010
  • In this study, the advanced numerical algorithm is developed which can performed the static and dynamic stochastic finite element analysis by considering the effect of uncertainties included in the member stiffness of steel cable-stayed bridges and seismic load. After conducting the linear and nonlinear initial shape analysis, the advanced numerical algorithm is the assessment tool which can performed structural the response analysis considering the static linearity and non-linearity of before or after induced intial tensile force, and examined the reliability assessment more efficiently. The verification of the developed numerical algorithm is evaluated by analyzing the regression analysis and coefficient of correlation using the direct monte carlo simulation. Also, the dynamic response characteristic and coefficient of variation of the steel cable-stayed bridge is calculated by considering the uncertainty of random variables using the developed numerical algorithm. In addition, the quantitative structural safety of the steel cable-stayed bridges is evaluated by conducting the reliability assessment based upon the dynamic stochastic finite element analysis result.

Performance comparison of Tabu search and genetic algorithm for cell planning of 5G cellular network (5G 이동통신 셀 설계를 위한 타부 탐색과 유전 알고리즘의 성능)

  • Kwon, Ohyun;Ahn, Heungseop;Choi, Seungwon
    • Journal of Korea Society of Digital Industry and Information Management
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    • v.13 no.3
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    • pp.65-73
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    • 2017
  • The fifth generation(5G) of wireless networks will connect not only smart phone but also unimaginable things. Therefore, 5G cellular network is facing the soaring traffic demand of numerous user devices. To solve this problem, a huge amount of 5G base stations will need to be installed. The base station positioning problem is an NP-hard problem that does not know how long it will take to solve the problem. Because, it can not find an answer other than to check the number of all cases. In this paper, to solve the NP hard problem, we compare the tabu search and the genetic algorithm using real maps for optimal cell planning. We also perform Monte Carlo simulations to study the performance of the Tabu search and Genetic algorithm for 5G cell planning. As a results, Tabu search required 2.95 times less computation time than Genetic algorithm and showed accuracy difference of 2dBm.

Performance evaluation of noise reduction algorithm with median filter using improved thresholding method in pixelated semiconductor gamma camera system: A numerical simulation study

  • Lee, Youngjin
    • Nuclear Engineering and Technology
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    • v.51 no.2
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    • pp.439-443
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    • 2019
  • To improve the noise characteristics, software-based noise reduction algorithms are widely used in cadmium zinc telluride (CZT) pixelated semiconductor gamma camera system. The purpose of this study was to develop an improved median filtering algorithm using a thresholding method for noise reduction in a CZT pixelated semiconductor gamma camera system. The gamma camera system simulated is a CZT pixelated semiconductor detector with a pixel-matched parallel-hole collimator and the spatial resolution phatnom was designed with the Geant4 Application for Tomography Emission (GATE). In addition, a noise reduction algorithm with a median filter using an improved thresholding method is developed and we applied our proposed algorithm to an acquired spatial resolution phantom image. According to the results, the proposed median filter improved the noise characteristics compared to a conventional median filter. In particular, the average for normalized noise power spectrum, contrast to noise ratio, and coefficient of variation results using the proposed median filter were 10, 1.11, and 1.19 times better than results using conventional median filter, respectively. In conclusion, our results show that the proposed median filter using improved the thresholding method results in high imaging performance when applied in a CZT semiconductor gamma camera system.

Cost effective design of RC building frame employing unified particle swarm optimization

  • Payel Chaudhuri;Swarup K. Barman
    • Advances in Computational Design
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    • v.9 no.1
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    • pp.1-23
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    • 2024
  • Present paper deals with the cost effective design of reinforced concrete building frame employing unified particle swarm optimization (UPSO). A building frame with G+8 stories have been adopted to demonstrate the effectiveness of the present algorithm. Effect of seismic loads and wind load have been considered as per Indian Standard (IS) 1893 (Part-I) and IS 875 (Part-III) respectively. Analysis of the frame has been carried out in STAAD Pro software.The design loads for all the beams and columns obtained from STAAD Pro have been given as input of the optimization algorithm. Next, cost optimization of all beams and columns have been carried out in MATLAB environment using UPSO, considering the safety and serviceability criteria mentioned in IS 456. Cost of formwork, concrete and reinforcement have been considered to calculate the total cost. Reinforcement of beams and columns has been calculated with consideration for curtailment and feasibility of laying the reinforcement bars during actual construction. The numerical analysis ensures the accuracy of the developed algorithm in providing the cost optimized design of RC building frame considering safety, serviceability and constructional feasibilities. Further, Monte Carlo simulations performed on the numerical results, proved the consistency and robustness of the developed algorithm. Thus, the present algorithm is capable of giving a cost effective design of RC building frame, which can be adopted directly in construction site without making any changes.

A Bayesian Method to Semiparametric Hierarchical Selection Models (준모수적 계층적 선택모형에 대한 베이지안 방법)

  • 정윤식;장정훈
    • The Korean Journal of Applied Statistics
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    • v.14 no.1
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    • pp.161-175
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    • 2001
  • Meta-analysis refers to quantitative methods for combining results from independent studies in order to draw overall conclusions. Hierarchical models including selection models are introduced and shown to be useful in such Bayesian meta-analysis. Semiparametric hierarchical models are proposed using the Dirichlet process prior. These rich class of models combine the information of independent studies, allowing investigation of variability both between and within studies, and weight function. Here we investigate sensitivity of results to unobserved studies by considering a hierachical selection model with including unknown weight function and use Markov chain Monte Carlo methods to develop inference for the parameters of interest. Using Bayesian method, this model is used on a meta-analysis of twelve studies comparing the effectiveness of two different types of flouride, in preventing cavities. Clinical informative prior is assumed. Summaries and plots of model parameters are analyzed to address questions of interest.

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MONTE-CARLO RADIATIVE TRANSFER MODEL OF THE DIFFUSE GALACTIC LIGHT

  • Seon, Kwang-Il
    • Journal of The Korean Astronomical Society
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    • v.48 no.1
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    • pp.57-66
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    • 2015
  • Monte-Carlo radiative models of the diffuse Galactic light (DGL) in our Galaxy are calculated using the dust radiative transfer code MoCafe, which is three-dimensional and takes full account of multiple scattering. The code is recently updated to use a fast voxel traversal algorithm, which has dramatically increased the computing speed. The radiative transfer models are calculated with the generally accepted dust scale-height of 0.1 kpc. The stellar scale-heights are assumed to be 0.1 or 0.35 kpc, appropriate for far-ultraviolet (FUV) and optical wavelengths, respectively. The face-on optical depth, measured perpendicular to the Galactic plane, is also varied from 0.2 to 0.6, suitable to the optical to FUV wavelengths, respectively. We find that the DGL at high Galactic latitudes is mostly due to backward or large-angle scattering of starlight originating from the local stars within a radial distance of r < 0.5 kpc from the Earth. On the other hand, the DGL measured in the Galactic plane is mostly due to stars at a distance range that corresponds to an optical depth of $${\sim_\sim}$$ 1 measured from the Earth. Therefore, the low-latitude DGL at the FUV wavelength band would be mostly caused by the stars located at a distance of $r{\leq}0.5$ kpc and the optical DGL near the Galactic plane mainly originates from stars within a distance range of $1{\leq}r{\leq}2kpc$. We also calculate the radiative transfer models in a clumpy two-phase medium. The clumpy two-phase models provide lower intensities at high Galactic latitudes compared to the uniform density models, because of the lower effective optical depth in clumpy media. However, no significant difference in the intensity at the Galactic plane is found.

A Study on the Modeling and Propagation to Evaluate Uncertainties in Measurement Results (측정결과의 불확도산정을 위한 모델링과 불확도 전파에 관한 연구)

  • 김종상;조남호
    • Journal of the Korea Society of Computer and Information
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    • v.8 no.4
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    • pp.165-175
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    • 2003
  • The concept of measurement uncertainty has been recognised for many years since "Guide to the Expression of Uncertainty in Measurement" was published 1993 by ISO. This study firstly propose the mathematical model to evaluate uncertainty considering the dispersion of samples because the mathematical model of a measurement is an important to evaluate uncertainty, and it must contains every quantify which contribute significantly to uncertainty in the measurement result. Secondly the standard uncertainty of the result of a measurement, namely combined standard uncertainty is evaluated using the law of propagation of uncertainty, what is termed in GUM method. In GUM method, a measurand is usually approximated by a linear function of its variables by the transforming its input quantities. Furthermore central limit theorem is applied to the input quantity. However the mathematical model of a measurement is generally not always a linearity function, and a distribution function of input or output quantity is not necessarily normal distribution. Then, in some cases GUM method is not favorable to evaluate a measurement uncertainty. Therefore this study propose a new method and its algorithm which use the Monte-carlo simulation to evaluate a measurement uncertainty in both case of linearity or non-linearity function. function.

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