• Bulletin of the Korean Chemical Society
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• v.29 no.2
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• pp.363-371
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• 2008

As a computational method for the discovery of the effective agonists for PPARd, we address the usefulness of molecular dynamics free energy (MDFE) simulation with explicit solvent in terms of the accuracy and the computing cost. For this purpose, we establish an efficient computational protocol of thermodynamic integration (TI) that is superior to free energy perturbation (FEP) method in parallel computing environment. Using this protocol, the relative binding affinities of GW501516 and its derivatives for PPARd are calculated. The accuracy of our protocol was evaluated in two steps. First, we devise a thermodynamic cycle to calculate the absolute and relative hydration free energies of test molecules. This allows a self-consistent check for the accuracy of the calculation protocol. Second, the calculated relative binding affinities of the selected ligands are compared with experimental IC50 values. The average deviation of the calculated binding free energies from the experimental results amounts at the most to 1 kcal/mol. The computational efficiency of current protocol is also assessed by comparing its execution times with those of the sequential version of the TI protocol. The results show that the calculation can be accelerated by 4 times when compared to the sequential run. Based on the calculations with the parallel computational protocol, a new potential agonist of GW501516 derivative is proposed.

• Journal of the Korea Society of Computer and Information
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• v.21 no.8
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• pp.21-28
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• 2016

In this paper, we propose a fast small target detection method using multiple filters, and describe system implementation using IPP libraries. To detect small targets in Infra-Red images, it is mandatory that you should apply a filter to eliminate a background and identify the target information. Moreover, by using a suitable algorithm for the environments and characteristics of the target, the filter must remove the background information while maintaining the target information as possible. For this reason, in the proposed method we have detected small targets by applying multi area(spatial) filters in a low luminous environment. In order to apply the multi spatial filters, the computation time can be increased exponentially in case of the sequential operation. To build this algorithm in real-time systems, we have applied IPP library to secure a software optimization and reduce the computation time. As a result of applying real environments, we have confirmed a detection rate more than 90%, also the computation time of the proposed algorithm have been improved about 90% than a typical sequential computation time.

• Journal of Institute of Control, Robotics and Systems
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• v.12 no.12
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• pp.1163-1168
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• 2006

Manufacturing technology for the production of high value-added fine chemical products is emphasized and getting more attention as the diversified interests of customers and the demand of high quality products are getting bigger and bigger everyday. Thus, the development of advanced batch processes, which is the preferred and most appropriate way of producing these types of products, and the related technologies are becoming more important. Therefore, high-precision batch distillation is one of the important elements in the successful manufacturing of fine chemicals, and the importance of the process operation strategy with quality assurance cannot be overemphasized. Accordingly, proposing a process structure explanation and operation strategy of such processes including batch processes and batch distillation would be of great value. We investigate optimal operation strategy and production planning of multi-purpose plants consisting of batch processes and batch distillation for the manufacturing of fine chemical products. For the short-term scheduling of a sequential multi-purpose batch plant consisting of batch distillation under MPC and UIS policy, we proposed a MILP model based on a priori time slot allocation. Also, we consider that the waste product of being produced on batch distillation is recycled to the batch distillation unit for the saving of raw materials. The developed methodology will be especially useful for the design and optimal operations of multi-purpose and multiproduct plants that is suitable for fine chemical production.

• Proceedings of the Korea Committee for Ocean Resources and Engineering Conference
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• 2003.05a
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• pp.37-42
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• 2003

Fundamental Study for optimizing ship hull form using SQP(sequential quadratic programming) method in a resistance point of view is presented. The Wigley hull is used as an initial hull and numerical calculations are carried out according to various froude numbers. To obtain the ship resistance the wave resistance is evaluated by a Rankine source panel method with nonlinear free surface conditions and the ITTC 1957 friction line is used to predict the frictional resistance coefficient. The geometry of a hull surface is represented and modified by B-spline surface patch. The displacement and the waterplane transverse 2nd moment of inertia of the hull is fixed during the optimization process. And the shp design program called EzHULL is used to draw the lines of the optimized hull form to perform the model test.

• The Transactions of the Korea Information Processing Society
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• v.6 no.2
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• pp.307-314
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• 1999

In this paper, we study on the transformation technique of sequential programs for the purpose of 'exploiting parallelism' and 'improving locality'. Based on the analysis of loop procedures of sequential programs with the factor of dependency and locality, two transformation techniques of loop distribution and loop fusion are applied to them. Transformed programs can be easily expressed as a parallel program wit thread notation, having coarse-grain parallelism and improved locality. This means that those transformations can be useful tools for optimizing and automatic-parallelizing compiler construction. Application of those techniques to SPEC95 on a solaris machine with four SPARC processors show an improvement of execution time.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.37 no.11
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• pp.1397-1405
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• 2013

The optimal rib pattern design of B-pillar trim considering occupant head protection can be determined by two methods. One is the conventional approximate optimization method that uses the statistical design of experiments (DOE) and response surface method (RSM). Generally, approximated optimum results are obtained through the iterative process by trial-and-error. The quality of results strongly depends on the factors and levels assigned by a designer. The other is a methodology derived from previous work by the authors, called the sequential design of experiments (SDOE), to reduce the trial-and-error procedure and to find an appropriate condition for using artificial neural network (ANN) systematically. An appropriate condition is determined from the iterative process based on the analysis of means. With this new technique and ANN, it is possible to find an optimum design accurately and efficiently.

• Journal of the Korean Society of Marine Environment & Safety
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• v.24 no.4
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• pp.467-474
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• 2018

The purpose of this study is related to automatic hull-form design for ships operating at two speeds. Research was conducted using a series 60 ($C_B=0.6$) ship as a target, which has the most basic ship hull-form. Hull-form development was pursued from the viewpoint of improving resistance performance. In particular, automatic hull-form design for a ship was performed to improve wave resistance, which is closely related to hull-forms. For this purpose, we developed automatic hull-form design software for ships by combining an optimization technique, resistance prediction technique and hull-form modification technique, appling the software developed to a target ship. A sequential quadratic programming method was used for optimization, and a potential-based panel method was used to predict resistance performance. A Gaussian-type modification function was developed and applied to change the ship hull-form. The software developed was used to design a target ship operating at two different speeds, and the performance of the resulting optimized hull was compared with the results of the original hull. In order to verify the validity of the program developed, experimental results obtained in model tests were compared with calculated values by numerical analysis.

• Journal of Microbiology and Biotechnology
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• v.17 no.12
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• pp.1930-1936
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• 2007

A sequential optimization strategy based on statistical experimental designs was employed to enhance the production of cyclosporin A (CyA) by Tolypocladium inflatum DSMZ 915 in a submerged culture. A 2-level Plackett-Burman design was used to screen the bioprocess parameters significantly influencing CyA production. Among the 11 variables tested, sucrose, ammonium sulfate, and soluble starch were selected, owing to their significant positive effect on CyA production. A response surface methodology (RSM) involving a 3-level Box-Behnken design was adopted to acquire the best process conditions. Thus, a polynomial model was created to correlate the relationship between the three variables and the CyA yield, and the optimal combination of the major media constituents for cyclosporin A production, evaluated using the nonlinear optimization algorithm of EXCEL-Solver, was as follows (g/l): sucrose, 20; starch, 20; and ammonium sulfate, 10. The predicted optimum CyA yield was 113 mg/l, which was 2-fold the amount obtained with the basal medium. Experimental verification of the predicted model resulted in a CyA yield of 110 mg/l, representing 97% of the theoretically calculated yield.

• Journal of the Earthquake Engineering Society of Korea
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• v.12 no.2
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• pp.9-22
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• 2008

This paper presents an integrated optimal design technique of a hybrid structure-damper system for improving the seismic performance of the structure. The proposed technique corresponds to the optimal distribution of the stiffness and dampers. The multi-objective optimization technique is introduced to deal with the optimal design problem of the hybrid system, which is reformulated into the multi-objective optimization problem with a constraint of target reliability in an efficient manner. An illustrative example shows that the proposed technique can provide a set of Pareto optimal solutions embracing the solutions obtained by the conventional sequential design method and single-objective optimization method based on weighted summation scheme. Based on the stiffness and damping capacities, three representative designs are selected among the Pareto optimal solutions and their seismic performances are investigated through the parametric studies on the dynamic characteristics of the seismic events. The comparative results demonstrate that the proposed approach can be efficiently applied to the optimal design problem for improving the seismic performance of the structure.

• Journal of Korean Society of Steel Construction
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• v.16 no.1 s.68
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• pp.123-134
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• 2004

In this research, a multilevel decomposition technique to enhance the efficiency of the configuration optimization of truss structures was proposed. On the first level, the nonlinear programming problem was formulated considering cross-sectional areas as design variables, weight, or volume as objective function and behavior under multiloading condition as design constraint. Said nonlinear programming problem was transformed into a sequential linear programming problem. which was effective in calculation through the approximation of member forces using behavior space approach. Such approach has proven to be efficient in sensitivity analysis and different form existing shape optimization studies. The modified method of feasible direction (MMFD) was used for the optimization process. On the second level, by treating only shape design variables, the optimum problem was transformed into and unconstrained optimal design problem. A unidirectional search technique was used. As numerical examples, some truss structures were applied to illustrate the applicability. and validity of the formulated algorithm.