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Design and Implementation of Service based Virtual Screening System in Grids (그리드에서 서비스 기반 가상 탐색 시스템 설계 및 구현)

  • Lee, Hwa-Min;Chin, Sung-Ho;Lee, Jong-Hyuk;Lee, Dae-Won;Park, Seong-Bin;Yu, Heon-Chang
    • Journal of KIISE:Computer Systems and Theory
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    • v.35 no.6
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    • pp.237-247
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    • 2008
  • A virtual screening is the process of reducing an unmanageable number of compounds to a limited number of compounds for the target of interest by means of computational techniques such as molecular docking. And it is one of a large-scale scientific application that requires large computing power and data storage capability. Previous applications or softwares for molecular docking such as AutoDock, FlexX, Glide, DOCK, LigandFit, ViSION were developed to be run on a supercomputer, a workstation, or a cluster-computer. However the virtual screening using a supercomputer has a problem that a supercomputer is very expensive and the virtual screening using a workstation or a cluster-computer requires a long execution time. Thus we propose a service-based virtual screening system using Grid computing technology which supports a large data intensive operation. We constructed 3-dimensional chemical molecular database for virtual screening. And we designed a resource broker and a data broker for supporting efficient molecular docking service and proposed various services for virtual screening. We implemented service based virtual screening system with DOCK 5.0 and Globus 3.2 toolkit. Our system can reduce a timeline and cost of drug or new material design.

Distributed Assumption-Based Truth Maintenance System for Scalable Reasoning (대용량 추론을 위한 분산환경에서의 가정기반진리관리시스템)

  • Jagvaral, Batselem;Park, Young-Tack
    • Journal of KIISE
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    • v.43 no.10
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    • pp.1115-1123
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    • 2016
  • Assumption-based truth maintenance system (ATMS) is a tool that maintains the reasoning process of inference engine. It also supports non-monotonic reasoning based on dependency-directed backtracking. Bookkeeping all the reasoning processes allows it to quickly check and retract beliefs and efficiently provide solutions for problems with large search space. However, the amount of data has been exponentially grown recently, making it impossible to use a single machine for solving large-scale problems. The maintaining process for solving such problems can lead to high computation cost due to large memory overhead. To overcome this drawback, this paper presents an approach towards incrementally maintaining the reasoning process of inference engine on cluster using Spark. It maintains data dependencies such as assumption, label, environment and justification on a cluster of machines in parallel and efficiently updates changes in a large amount of inferred datasets. We deployed the proposed ATMS on a cluster with 5 machines, conducted OWL/RDFS reasoning over University benchmark data (LUBM) and evaluated our system in terms of its performance and functionalities such as assertion, explanation and retraction. In our experiments, the proposed system performed the operations in a reasonably short period of time for over 80GB inferred LUBM2000 dataset.

A Non-consecutive Cloth Draping Simulation Algorithm using Conjugate Harmonic Functions (켤레조화함수를 이용한 비순차적 의류 주름 모사 알고리즘)

  • Kang Moon Koo
    • Journal of KIISE:Software and Applications
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    • v.32 no.3
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    • pp.181-191
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    • 2005
  • This article describes a simplified mathematical model and the relevant numerical algorithm to simulate the draped cloth on virtual human body. The proposed algorithm incorporates an elliptical, or non-consecutive, method to simulate the cloth wrinkles on moving bodies without resorting to the result of the past time-steps of drape simulation. A global-local analysis technique was employed to decompose the drape of cloths into the global deformation and the local wrinkles that will be superposed linearly The global deformation is determined directly by the rotation and the translation of body parts to generate a wrinkle-free yet globally deformed shape of cloth. The local wrinkles are calculated by solving simple elliptical equations based on the orthogonality between conjugate harmonic functions representing the wrinkle amplitude and the direction of wrinkles. The proposed method requires no interpolative time frames even for discontinuous body postures. Standing away from the incremental approach of time integration in conventional methods, the proposed method yields a remarkable reduction of CPU time and an enhanced stability. Also, the transient motion of cloth could be achieved by interpolating between the deformations corresponding to each static posture.

Pollution Status for Agricultural Reservior in Chungbuk Province (충북지역 농업용 저수지의 오염실태 조사연구)

  • Oh, Kwang-Young;Kim, Jin-Soo;Song, Chang-Sub;Kwon, Sung-Ill;Song, Chul-Min
    • Proceedings of the Korea Water Resources Association Conference
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    • 2007.05a
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    • pp.987-992
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    • 2007
  • 충청북도 내의 농업용 저수지중 26개소를 선정하여 관개초기, 홍수기 및 비관개기의 연 3회에 걸쳐 저수율을 파악하고 채수를 실시하였다. 또한, 현장(수온, pH, DO, EC)과 실내 수질분석(Cd, As, Cn, Hg, 유기인, Pb, $Cr^{+6}$ PCB, ABS, COD, SS, TP, TN)을 실시하여 저수지의 오염도를 평가하였다. 저수율 측정결과, 홍수기(97%)가 관개초기(72%)나 비관개기(66%)보다 높게 나타났다. pH 값의 측정결과, 수질기준$(6.0{\sim}8.5)$을 만족하고 있는 저수지의 비율은 35%(9개소)의 낮은 값을 보였다. EC와 DO 및 SS농도의 측정결과, 거의 모든 저수지에서 수질기준을 만족하고 있었으며, COD, TN, TP농도 측정결과, 수질기준 만족도는 관개초기 100%, 홍수기 81%, 비관개기 65%로 나타나, 저수량이 많은 관개초기보다 저수량이 적은 비관개기에 질소와 인의 관리가 필요한 것으로 판단된다. 또한, 사람의 건강항목(CN, Hg, 유기인, PCB, Cd, 비소As, Pb, $Cr^{6+}$, ABS)은 모든 저수지에서 관개 초기, 홍수기 및 비관개기에 모두 수질기준을 만족하였다. 점오염원을 관리하기 위해서는 저수지 상류유역에 있는 마을하수도를 정비하고, 축산분뇨처리시설 등을 설치하여 저수지로의 유입부하량을 저감할 필요가 있다. 또한, 비점원오염을 관리하기 위한 대책으로서, 질소농도를 저감시키기 위해서는 용존성 성분을 제공하는 비료의 시용량을 줄여야하며, TP농도를 저감시키기 위해서는 강우시 입자성 인의 유출을 제어할 필요가 있으며, 이를 위해서는 비가 많이 오는 여름철에 나지(裸地)나 밭에 식생이나 멀칭(mulching) 등으로 토양침식을 방지할 필요가 있다.가용한 장 단기간의 관측자료와 물수지 분석 연산식의 추정치를 바탕으로 관측자료에 의한 물수지 분석을 수행하였다. 분석 결과로 산지 소하천 유역인 설마천 시험유역의 각 수문요소의 물이동간의 정량적인 값을 알 수가 있었으며, 앞으로 추가적이고 지속적인 수문모니터링이 운영되고 물순환 해석 모형에 의한 검증이 수행된다면 정량적인 물순환 관계를 규명할 수 있을 뿐만 아니라 이와 관련된 수문요소기술을 확보할 수 있을 것이다.절한 타협과 조정을 필요로 한다. 그러나 절제의 한계를 넘어선다고 생각되거나, 조정의 노력이 불가능하거나, 실패했을 때 폭력적인 행동으로 나타나게 된다. 리차즈(I.A Richards)는 분노와 공포는 일단 겉잡을 수 없는 경향이 있다고 하면서 오늘날 폭력에 대한 요구가 일상의 정서 생활에 있어, 억압을 통한, 빈곤함을 반영하고 있지 않은지 생각해봐야 할 것이라고 충고한다. 조성 가이드라인(안)을 제시하였다.EX>$\ulcorner$세종실록$\lrcorner$(世宗實錄) $\ulcorner$지리지$\lrcorner$(地理志)와의 비교를 해보면 상 중 하품의 통합 9개소가 삭제되어 있고, $\ulcorner$동국여지승람$\lrcorner$(東國與地勝覽) 에서는 자기소와 도기소의 위치가 완전히 삭제되어 있다. 이러한 현상은 첫째, 15세기 중엽 경제적 태평과 함께 백자의 수요 생산이 증가하자 군신의 변별(辨別)과 사치를 이유로 강력하게 규제하여 백자의 확대와 발전에 걸림돌이 되었다. 둘째, 동기(銅器)의 대체품으로 자기를 만들어 충당해야할 강제성 당위성 상실로 인한 자기수요 감소를 초래하였을 것으로 사료된다. 셋째, 경기도 광주에서 백자관요가 운영되었으므로 지방인 상주지역에도 더 이

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Numerical Simulations of the 2011 Tohoku, Japan Tsunami Forerunner Observed in Korea using the Bathymetry Effect (지형효과를 이용한 한반도에서 관측된 2011년 동일본 지진해일 선행파 수치모의)

  • Lee, Jun-Whan;Park, Eun Hee;Park, Sun-Cheon;Lee, Duk Kee;Lee, Jong Ho
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.28 no.5
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    • pp.265-276
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    • 2016
  • The 2011 Tohoku, Japan Tsunami, which occurred on March 11, 2011, reached the Korean Peninsula and was recorded at numerous tide stations. In the records of the north-eastern tide stations, tsunami forerunners were found in only about a few minutes after the earthquake, which was much earlier than the expected arrival time based on a numerical simulation. Murotani et al. (2015) found out that the bathymetry effect is related to the tsunami forerunners observed in Japan and Russia. In this study, the tsunami forerunners observed in Korea were well reproduced by a numerical simulation considering the bathymetry effect. This indicates that it is important to consider the bathymetry effect for a tsunami caused by an earthquake on shallowly dipping fault plane(e.g. 2011 Tohoku, Japan Earthquake). However, since the bathymetry effect requires additional computation time, it is necessary to examine the problems that results from applying the bathymetry effect to the tsunami warning system.

Calculation of Stability Number of Tetrapods Using Weights and Biases of ANN Model (인공신경망 모델의 가중치와 편의를 이용한 테트라포드의 안정수 계산 방법)

  • Lee, Jae Sung;Suh, Kyung-Duck
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.28 no.5
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    • pp.277-283
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    • 2016
  • Tetrapod is one of the most widely used concrete armor units for rubble mound breakwaters. The calculation of the stability number of Tetrapods is necessary to determine the optimal weight of Tetrapods. Many empirical formulas have been developed to calculate the stability number of Tetrapods, from the Hudson formula in 1950s to the recent one developed by Suh and Kang. They were developed by using the regression analysis to determine the coefficients of an assumed formula using the experimental data. Recently, software engineering (or machine learning) methods are introduced as a large amount of experimental data becomes available, e.g. artificial neural network (ANN) models for rock armors. However, these methods are seldom used probably because they did not significantly improve the accuracy compared with the empirical formula and/or the engineers are not familiar with them. In this study, we propose an explicit method to calculate the stability number of Tetrapods using the weights and biases of an ANN model. This method can be used by an engineer who has basic knowledge of matrix operation without requiring knowledge of ANN, and it is more accurate than previous empirical formulas.

Stereo Image-based 3D Modelling Algorithm through Efficient Extraction of Depth Feature (효율적인 깊이 특징 추출을 이용한 스테레오 영상 기반의 3차원 모델링 기법)

  • Ha, Young-Su;Lee, Heng-Suk;Han, Kyu-Phil
    • Journal of KIISE:Computer Systems and Theory
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    • v.32 no.10
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    • pp.520-529
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    • 2005
  • A feature-based 3D modeling algorithm is presented in this paper. Since conventional methods use depth-based techniques, they need much time for the image matching to extract depth information. Even feature-based methods have less computation load than that of depth-based ones, the calculation of modeling error about whole pixels within a triangle is needed in feature-based algorithms. It also increase the computation time. Therefore, the proposed algorithm consists of three phases, which are an initial 3D model generation, model evaluation, and model refinement phases, in order to acquire an efficient 3D model. Intensity gradients and incremental Delaunay triangulation are used in the Initial model generation. In this phase, a morphological edge operator is adopted for a fast edge filtering, and the incremental Delaunay triangulation is modified to decrease the computation time by avoiding the calculation errors of whole pixels and selecting a vertex at the near of the centroid within the previous triangle. After the model generation, sparse vertices are matched, then the faces are evaluated with the size, approximation error, and disparity fluctuation of the face in evaluation stage. Thereafter, the faces which have a large error are selectively refined into smaller faces. Experimental results showed that the proposed algorithm could acquire an adaptive model with less modeling errors for both smooth and abrupt areas and could remarkably reduce the model acquisition time.

DNA Sequence Design using $\varepsilon$ -Multiobjective Evolutionary Algorithm ($\varepsilon$-다중목적함수 진화 알고리즘을 이용한 DNA 서열 디자인)

  • Shin Soo-Yong;Lee In-Hee;Zhang Byoung-Tak
    • Journal of KIISE:Software and Applications
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    • v.32 no.12
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    • pp.1217-1228
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    • 2005
  • Recently, since DNA computing has been widely studied for various applications, DNA sequence design which is the most basic and important step for DNA computing has been highlighted. In previous works, DNA sequence design has been formulated as a multi-objective optimization task, and solved by elitist non-dominated sorting genetic algorithm (NSGA-II). However, NSGA-II needed lots of computational time. Therefore, we use an $\varepsilon$- multiobjective evolutionarv algorithm ($\varepsilon$-MOEA) to overcome the drawbacks of NSGA-II in this paper. To compare the performance of two algorithms in detail, we apply both algorithms to the DTLZ2 benchmark function. $\varepsilon$-MOEA outperformed NSGA-II in both convergence and diversity, $70\%$ and $73\%$ respectively. Especially, $\varepsilon$-MOEA finds optimal solutions using small computational time. Based on these results, we redesign the DNA sequences generated by the previous DNA sequence design tools and the DNA sequences for the 7-travelling salesman problem (TSP). The experimental results show that $\varepsilon$-MOEA outperforms the most cases. Especially, for 7-TSP, $\varepsilon$-MOEA achieves the comparative results two tines faster while finding $22\%$ improved diversity and $92\%$ improved convergence in final solutions using the same time.

Moving Object Contour Detection Using Spatio-Temporal Edge with a Fixed Camera (고정 카메라에서의 시공간적 경계 정보를 이용한 이동 객체 윤곽선 검출 방법)

  • Kwak, Jae-Ho;Kim, Whoi-Yul
    • Journal of Broadcast Engineering
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    • v.15 no.4
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    • pp.474-486
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    • 2010
  • In this paper, we propose a new method for detection moving object contour using spatial and temporal edge. In general, contour pixels of the moving object are likely present around pixels with high gradient value along the time axis and the spatial axis. Therefore, we can detect the contour of the moving objects by finding pixels which have high gradient value in the time axis and spatial axis. In this paper, we introduce a new computation method, termed as temporal edge, to compute an gradient value along the time axis for any pixel on an image. The temporal edge can be computed using two input gray images at time t and t-2 using the Sobel operator. Temporal edge is utilized to detect a candidate region of the moving object contour and then the detected candidate region is used to extract spatial edge information. The final contour of the moving object is detected using the combination of these two edge information, which are temporal edge and spatial edge, and then the post processing such as a morphological operation and a background edge removing procedure are applied to remove noise regions. The complexity of the proposed method is very low because it dose not use any background scene and high complex operation, therefore it can be applied to real-time applications. Experimental results show that the proposed method outperforms the conventional contour extraction methods in term of processing effort and a ghost effect which is occurred in the case of entropy method.

A Design for Extension Codec based on Legacy Codec (레거시 코덱 기반 확장 코덱 설계)

  • Young, Su Heo;Bang, Gun;Park, Gwang Hoon
    • Journal of Broadcast Engineering
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    • v.20 no.4
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    • pp.509-520
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    • 2015
  • A design for the merge mode of three dimensional High Efficiency Video Coding (3D-HEVC) is proposed in this paper. The proposed design can reduce the implementation complexity by removing the duplicated modules of the HEVC. For the extension codec, the implementation complexity is as crucial as coding efficiency, meaning if possible, extension codec needs to be easily implemented through by reusing the design of the legacy codec as-is. However, the existing merging process of 3D-HEVC had been built-in integrated in the inside of the HEVC merging process. Thus the duplicated merging process of HEVC had to be fully re-implemented in the 3D-HEVC. Consequently the implementation complexity of the extension codec was very high. The proposed 3D-HEVC merge mode is divided into following two stages; the process to reuse the HEVC modules without any modification; and the reprocessing process for newly added and modified merging modules in 3D-HEVC. By applying the proposed method, the re-implemented HEVC modules, which accounted for 51.4% of 3D-HEVC merge mode confirmed through the operational analysis of algorithm, can be eliminated, while maintaining the same coding efficiency and computational complexity.