• Title/Summary/Keyword: Least square approximation

Search Result 100, Processing Time 0.077 seconds

Effects of force fields for refining protein NMR structures with atomistic force fields and generalized-Born implicit solvent model

  • Jee, Jun-Goo
    • Journal of the Korean Magnetic Resonance Society
    • /
    • v.18 no.1
    • /
    • pp.24-29
    • /
    • 2014
  • Atomistic molecular dynamics (MD) simulation has become mature enabling close approximation of the real behaviors of biomolecules. In biomolecular NMR field, atomistic MD simulation coupled with generalized implicit solvent model (GBIS) has contributed to improving the qualities of NMR structures in the refinement stage with experimental restraints. Here all-atom force fields play important roles in defining the optimal positions between atoms and angles, resulting in more precise and accurate structures. Despite successful applications in refining NMR structure, however, the research that has studied the influence of force fields in GBIS is limited. In this study, we compared the qualities of NMR structures of two model proteins, ubiquitin and GB1, under a series of AMBER force fields-ff99SB, ff99SB-ILDN, ff99SB-NMR, ff12SB, and ff13-with experimental restraints. The root mean square deviations of backbone atoms and packing scores that reflect the apparent structural qualities were almost indistinguishable except ff13. Qualitative comparison of parameters, however, indicates that ff99SB-ILDN is more recommendable, at least in the cases of ubiquitin and GB1.

AXISYMMETRIC STOKES FLOW PAST A DISK IN A CIRCULAR TUBE (원관 내의 디스크를 지나는 축대칭 스톡스 유동)

  • Jeong, Jae-Tack
    • Journal of computational fluids engineering
    • /
    • v.21 no.4
    • /
    • pp.96-101
    • /
    • 2016
  • A two-dimensional Stokes flow past a circular disk in a circular tube is analyzed. The circular disk is located coaxially with the circular tube and the Hagen-Poiseuille flow exists at upstream and downstream far from the circular disk. The Stokes approximation is used and the flow is investigated analytically by using the method of eigenfunction expansion and the method of least square. From the analysis, the stream function and the pressure of the flow field are obtained, and the streamlines and pressure distribution are shown. Also, the pressure and shear stress distributions on the circular disk and circular tube wall are calculated, and shown for some typical radii of the circular disk. The additional pressure drop induced by the disk and the drag force exerted on the disk are compared as functions of the radius of the circular disk, and it is shown that the shear force on the wall of the tube increases due to the disk.

Optimization of Fuzzy Systems by Means of GA and Weighting Factor (유전자 알고리즘과 하중값을 이용한 퍼지 시스템의 최적화)

  • Park, Byoung-Jun;Oh, Sung-Kwun;Ahn, Tae-Chon;Kim, Hyun-Ki
    • The Transactions of the Korean Institute of Electrical Engineers A
    • /
    • v.48 no.6
    • /
    • pp.789-799
    • /
    • 1999
  • In this paper, the optimization of fuzzy inference systems is proposed for fuzzy model of nonlinear systems. A fuzzy model needs to be identified and optimized by means of the definite and systematic methods, because a fuzzy model is primarily acquired by expert's experience. The proposed rule-based fuzzy model implements system structure and parameter identification using the HCM(Hard C-mean) clustering method, genetic algorithms and fuzzy inference method. Two types of inference methods of a fuzzy model are the simplified inference and linear inference. in this paper, nonlinear systems are expressed using the identification of structure such as input variables and the division of fuzzy input subspaces, and the identification of parameters of a fuzzy model. To identify premise parameters of fuzzy model, the genetic algorithms is used and the standard least square method with the gaussian elimination method is utilized for the identification of optimum consequence parameters of fuzzy model. Also, the performance index with weighting factor is proposed to achieve a balance between the performance results of fuzzy model produced for the training and testing data set, and it leads to enhance approximation and predictive performance of fuzzy system. Time series data for gas furnace and sewage treatment process are used to evaluate the performance of the proposed model.

  • PDF

Design Optimization of a Compressor Loop Pipe using Response Surface Method (반응표면법을 이용한 압축기 루프 파이프의 최적 설계)

  • 강정환;박종찬;김좌일;왕세명;정충민
    • Proceedings of the Korean Society for Noise and Vibration Engineering Conference
    • /
    • 2004.05a
    • /
    • pp.404-409
    • /
    • 2004
  • A compressor loop pipe is the most important part in a refrigerator from the view of structural vibration and noise. Vibration energy generated from a compressor's inner body is transmitted to the shell and outside through the loop pipe. For this reason it is very important to design a compressor loop pipe. But, for geometrical complexity and dynamic nonlinearity of the loop pipe, analysis and design of the loop pipe is very difficult. So the statistical and experimental methods have to be used for design of this system. The response surface method (RSM) becomes a popular meta-modeling technique f3r the complex system as this loop pipe. As starting point of loop pile's optimization, FEA model and simple experimental model are used instead of the real loop pipe model. After RS model was constructed, using sensitivity-based optimizer performed optimization for the loop pipe. And the moving least square method (MLSM) was applied to reduce the approximation error.

  • PDF

Multiple Target Angle Tracking Algorithm Using Angular Innovation Extracted from Signal Subspace (신호 부공간에서 구한 방위각 이노베이션을 이용한 다중표적 방위각 추적 알고리즘)

  • Ryu, Chang-Soo;Lee, Su-Hyoung;Lee, Kyun-Kyung
    • Journal of the Korean Institute of Telematics and Electronics S
    • /
    • v.36S no.12
    • /
    • pp.20-26
    • /
    • 1999
  • In this paper, a multiple target angle tracking algorithm that can avoid data association problem and has a simple structure is proposed by obtaining the angular innovation of the targets from a signal subspace. The signal subspace is recursively estimated by a signal subspace tracking algorithm, such as PAST. A nonlinear matrix equation which satisfy the estimated signal subspace and the angular innovation is induced and expanded into a Taylor series for linear approximation. The angular innovation is obtained by solving the approximated linear matrix equation in the least square sense. The good performance of the proposed algorithm is demonstrated by various computer simulations.

  • PDF

OPTIMAL SHAPE DESIGN OF A S-SHAPED SUBSONIC INTAKE USING NURBS (NURBS를 이용한 S형 천음속 흡입관 최적 설계)

  • Lee B.J.;Kim C.
    • Journal of computational fluids engineering
    • /
    • v.11 no.1 s.32
    • /
    • pp.57-66
    • /
    • 2006
  • An optimal shape design approach is presented for a subsonic S-shaped intake using aerodynamic sensitivity analysis. Two-equation turbulence model is employed to capture strong counter vortices in the S-shaped duct more precisely. Sensitivity analysis is performed for the three-dimensional Navier-Stokes equations coupled with two-equation turbulence models using a discrete adjoint method For code validation, the result of the flow solver is compared with experiment data and other computational results of bench marking test. To study the influence oj turbulence models and grid refinement on the duct flow analysis, the results from several turbulence models are compared with one another and the minimum number of grid points, which can yield an accurate solution is investigated The adjoint variable code is validated by comparing the complex step derivative results. To realize a sufficient and flexible design space, NURBS equations are introduced as a geometric representation and a new grid modification technique, Least Square NURBS Grid Approximation is applied With the verified flow solver, the sensitivity analysis code and the geometric modification technique, the optimization of S-shaped intake is carried out and the enhancement of overall intake performance is achieved The designed S-shaped duct is tested in several off-design conditions to confirm the robustness of the current design approach. As a result, the capability and the efficiency of the present design tools are successfully demonstrated in three-dimensional highly turbulent internal flow design and off-design conditions.

Improvement of ISAR Autofocusing Performance Based on PGA (PGA(Phase Gradient Autofocus)기반 ISAR영상 자동초점기법 성능개선)

  • Kim, Kwan Sung;Yang, Eun Jung;Kim, Chan Hong;Park, Sung Chul
    • Journal of the Korea Institute of Military Science and Technology
    • /
    • v.17 no.5
    • /
    • pp.680-687
    • /
    • 2014
  • PGA(phase gradient autofocus) has been widely used to remove motion induced phase errors in the ISAR(inverse synthetic aperture radar) imaging. The critical process for the processing time and image quality is windowing stage in PGA. In this paper, the new method to determine window size based on polynomial least square approximation is proposed. Moreover, dominant range bins are selected for efficient phase error estimation, which improve image quality and speed up convergence. The simulation results show that the proposed algorithm provides high quality ISAR images while computational efficiency of inherent PGA is retained.

A Study on the Strain Measurement of Structure object by Electronic Process and Laser Interferometry (전자처리 및 Laser간섭에 의한 구조물의 Strain 측정에 관한 연구)

  • Jung, W.K.;Kim, K.S.;Yang, S.P.;Jung, H.C.;Kim, J.H.
    • Journal of the Korean Society for Precision Engineering
    • /
    • v.12 no.10
    • /
    • pp.40-49
    • /
    • 1995
  • This paper presents the performance and problems in analysis method and testing system of Electronic Speckle Pattern Interferometry (ESPI) method, in measuring two - dimensional in-plane displacement. The anyalysis result of measurement by ESPE is quite comparable to that tof measurement by strain gauge method. This implies that the method of ESPE is a very effective tool in non-contact two-dimensional in-plane strain analysis. But there is a controversal point, measurment error. This error is discussed to be affected not by ESPE method itself, but by its analysis scheme of the interference fringe, where the first-order interpolation has been applied to the points of strain measured. In this case, it is turned out that the more errors would be occurred in the large interval of fringe. And so this paper describes a computer method for drawing when the height is available only for some arbitrary collection of points. The method is based on a distance-weighted, last- squares approximation technique with the weight varying with the distance of the data points.

  • PDF

Prediction of initiation time of corrosion in RC using meshless methods

  • Yao, Ling;Zhang, Lingling;Zhang, Ling;Li, Xiaolu
    • Computers and Concrete
    • /
    • v.16 no.5
    • /
    • pp.669-682
    • /
    • 2015
  • Degradation of reinforced concrete (RC) structures due to chloride penetration followed by reinforcement corrosion has been a serious problem in civil engineering for many years. The numerical simulation methods at present are mainly finite element method (FEM) and finite difference method (FDM), which are based on mesh. Mesh generation in engineering takes a long time. In the present article, the numerical solution of chloride transport in concrete is analyzed using radial point interpolation method (RPIM) and element-free Galerkin (EFG). They are all meshless methods. RPIM utilizes radial polynomial basis, whereas EFG uses the moving least-square approximation. A Galerkin weak form on global is used to attain the discrete equation, and four different numerical examples are presented. MQ function and appropriate parameters have been proposed in RPIM. Numerical simulation results are compared with those obtained from the finite element method (FEM) and analytical solutions. Two case of chloride transport in full saturated and unsaturated concrete are analyzed to test the practical applicability and performance of the RPIM and EFG. A good agreement is obtained among RPIM, EFG, and the experimental data. It indicates that RPIM and EFG are reliable meshless methods for prediction of chloride concentration in concrete structures.

Decision Method of Magnetic Domain Walls Using Pixel Value Operation in the Magnetic Domain Image Observed by Kerr Microscopy (자기광학현미경으로부터 관찰한 자구모양의 픽셀값 연산을 이용한 자벽선 결정방법)

  • Kim, Young-Hak
    • Journal of the Korean Magnetics Society
    • /
    • v.27 no.1
    • /
    • pp.35-40
    • /
    • 2017
  • Kerr microscopy was assembled to observe magnetic domain image of ultra thin 3 %Si-Fe by using parts of an optical microscope. Digital images were obtained from CCD camera attached to the microscopy. A method was suggested to decide a boundary between magnetic domain regions in this study. The method was using some operations such as subtraction, integration and least mean square approximation for pixel values in the digital image. The method has a strong point that high priced image processor is not needed in the Kerr microscopy system. From the results that three different domain walls were observed and magnetic flux density of 0.085 [T], this method could be applied in the magnetic domain regions having a straight $180^{\circ}$ domain wall.