• Journal of the Korean Society for Precision Engineering
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• v.23 no.8 s.185
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• pp.89-99
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• 2006

In this paper a new shape reconstruction method that allows us to construct surface models from very large sets of points is presented. In this method the global domain of interest is divided into smaller domains where the problem can be solved locally. These local solutions of subdivided domains are blended together according to weighting coefficients to obtain a global solution using partition of unity function. The suggested approach gives us considerable flexibility in the choice of local shape functions which depend on the local shape complexity and desired accuracy. At each domain, a quadratic polynomial function is created that fits the points in the domain. If the approximation is not accurate enough, other higher order functions including cubic polynomial function and RBF(Radial Basis Function) are used. This adaptive selection of local shape functions offers robust and efficient solution to a great variety of shape reconstruction problems.

• Bulletin of the Korean Chemical Society
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• v.16 no.4
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• pp.341-344
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• 1995

Laser-induced fluorescence (LIF) excitation spectra were measured for fluorene (FR) cooled in pulsed supersonic expansions of He in the range 283.7-296.7 nm. Ab initio studies of FR have also been carried out for determining the electronic and vibrational structures by using the standard 3-21G basis sets. In the LIF excitation spectra of FR, highly resolved vibronic bands are observed having the band origin of 33,791 cm-1. The vibrational bands above the electronic origin were assigned on the basis of the well-characterized electronic vibrational bands reported previously and of normal modes of vibrations derived by our HF/3-21G calculations.

• KSII Transactions on Internet and Information Systems (TIIS)
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• v.16 no.12
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• pp.3815-3835
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• 2022

Density-based outlier detection is one of the hot issues in data mining. A point is determined as outlier on basis of the density of points near them. The existing density-based detection algorithms have high time complexity, in order to reduce the time complexity, a new outlier detection algorithm DODMD (Density-based Outlier Detection in Multidimensional Datasets) is proposed. Firstly, on the basis of ZH-tree, the concept of micro-cluster is introduced. Each leaf node is regarded as a micro-cluster, and the micro-cluster is calculated to achieve the purpose of batch filtering. In order to obtain n sets of approximate outliers quickly, a greedy method is used to calculate the boundary of LOF and mark the minimum value as LOF_min. Secondly, the outliers can filtered out by LOF_min, the real outliers are calculated, and then the result set is updated to make the boundary closer. Finally, the accuracy and efficiency of DODMD algorithm are verified on real dataset and synthetic dataset respectively.

• Bulletin of the Korean Chemical Society
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• v.32 no.12
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• pp.4199-4204
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• 2011

Using models simulating the environment of two distinct adsorption sites of $H_2$ in metal-organic framework-5 (MOF-5), binding energies of $H_2$ to MOF-5 were evaluated at the MP2 and CCSD(T) level. For organic linker section modeled as dilithium 1,4-benzenedicarboxylate ($C_6H_4(COO)_2Li_2$), the MP2 and CCSD(T) basis set limit binding energies are estimated to be 5.1 and 4.4 kJ/mol, respectively. For metal oxide cluster section modeled as $Zn_4O(CO_2H)_6$, while the MP2 basis set limit binding energy estimate amounts to 5.4 kJ/mol, CCSD(T) correction to the MP2 results is shown to be insignificant with basis sets of small size. Substitution of benzene ring with pyrazine ring in the model for the organic linker section in MOF-5 is shown to decrease the $H_2$ binding energy noticeably at both the MP2 and CCSD(T) level, in contrast to the previous study based on DFT calculation results which manifested substantial increase of $H_2$ binding energies upon substitution of benzene ring with pyrazine ring in the similar model.

• Korean Journal of Remote Sensing
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• v.25 no.3
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• pp.215-223
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• 2009

The noise removal as a preprocessing was tried with various kinds of wavelet pairs. Wavelet transform for 2D images generally uses the same wavelets as basis functions in horizontal and vertical directions. A method with different wavelets was tried for each direction separately, which gives more precise interpretation of the classification. Total 486 pairs of wavelets from nine basis functions were tried to remove image noises. The classification accuracies before and after the noise removal were compared. Although all kinds of wavelet pairs showed the increased accuracies in classification, there were best and worst wavelet pairs depending on the data sets. Wavelet pairs with low energy percentage of LL band showed the high classification accuracy. A pattern was found in the results that very similar vertical accuracy was distributed for each horizontal ones. Since Haar is the shortest length filter, Haar could be a predictor wavelet to find the good wavelet pairs.

• Journal of Veterinary Clinics
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• v.28 no.1
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• pp.101-107
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• 2011

This study aimed to determine dose-response (DR) curve of avian influenza (AI) virus to predict the probability of illness or adverse health effects that may result from exposure to a pathogenic microorganism in a quantitative microbial risk assessment. To determine the parametric DR relationship of several strains of AI virus, 7 feeding trial data sets challenging humans (5 sets) and chickens (2 sets) for strains of H3N2 (4 sets), H5N1 (2 sets) and H1N1 (1 set) from the published literatures. Except for one data set (study with intra-tracheal inoculation for data set no. 6), all were obtained from the studies with intranasal inoculation. The data were analyzed using three types of DR model as the basis of heterogeneity in infectivity of AI strains in humans and chickens: exponential, beta-binomial and beta-Poisson. We fitted to the data using maximum likelihood estimation to get the parameter estimates of each model. The alpha and beta values of the beta-Poisson DR model ranged 0.06-0.19 and 1.7-48.8, respectively for H3N2 strain. Corresponding values for H5N1 ranged 0.464-0.563 and 97.3-99.4, respectively. For H1N1 the parameter values were 0.103 and 12.7, respectively. Using the exponential model, r (infectivity parameter) ranged from $1.6{\times}10^{-8}$ to $1.2{\times}10^{-5}$ for H3N2 and from $7.5{\times}10^{-3}$ to $4.0{\times}10^{-2}$ for H5N1, while the value was $1.6{\times}10^{-8}$ for H1N1. The beta-Poisson DR model provided the best fit to five of 7 data sets tested, and the estimated parameter values in betabinomial model were very close to those of beta-Poisson. Our study indicated that beta-binomial or beta-Poisson model could be the choice for DR modeling of AI, even though DR relationship varied depending on the virus strains studied, as indicated in prior studies. Further DR modeling should be conducted to quantify the differences among AI virus strains.

• Journal of the Korean GEO-environmental Society
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• v.2 no.1
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• pp.37-56
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• 2001

As a preliminary study to establish fracture network model in crystalline rocks, detail investigation on fracture characteristics were performed. Five fracture sets were determined on the basis of regional survey of geological structures and fractures on outcrops. Among the fracture sets, S1 set has the highest density and longest trace length of fractures which was identified on surface in the study area. S4 and S5 sets are composed of foliations and foliation parallel shear joints of gneisses, which are very important sets at the aspect of weighting of fracture length. For characterization of subsurface fractures, detail core logging was performed to identify fractures and fracture zones from five boreholes. Acoustic televiewer logging and borehole geophysical loggings produced images, orientations and geophysical properties of fractures which intersect with boreholes. According to the result of the investigations, subsurface fractures can be grouped as three preferred orientations(B1, B2 and B3), which correspond to S1, S2 and S4/S5 of surface fracture sets, respectively. Actually, B1 set is expected to be intensely developed at subsurface. However, it has low frequency of intersection with boreholes due to its parallel or sub-parallel direction to boreholes. According to the inference of conductive fractures, B1 and B3 sets have possibilities of water flow and their intersection lines are also thought to consist of important conduits of groundwater flow. In particular, faults which are parallel to foliations control major groundwater flow in the study area.

• Bulletin of the Korean Chemical Society
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• v.21 no.7
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• pp.720-726
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• 2000

The analytic gradient method for the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) energy has been extended to employ a reduced molecular orbital (MO) space. Not only the innermost core MOs but also some of the outermost virtua l MOs can be dropped in the reduced MO space, and a substantial amount of computation time can be reduced without deteriorating the results. In order to study the magnitudes and trends of the effects of the dropped MOs, the geometries and vibrational properties of the ground and excited states of BF, CO, CN, N2, AlCl, SiS, P2, BCl, AIF, CS, SiO, PN and GeSe are calculated with different sizes of molecular orbital space. The 6-31 G* and the aug-cc-pVTZ basis sets are employed for all molecules except GeSc for which the 6-311 G* and the TZV+f basis sets are used. It is shown that the magnitudes of the drop-MO effects are about $0.005\AA$ in bond lengths and about 1% on harmonic frequencies and IR intensities provided that the dropped MOs correspond to (1s), (1s,2s,2p), an (1s,2s,2p,3s,3p) atomic orbitals of the first, the second, and the third row atoms, respectively. The geometries and vibrational properties of the first and the second excited states of HCN and HNC are calculated by using a drastically reduced virtual MO space as well as with the well defined frozen core MO space. The results suggest the possibility of using a very smalI MO space for qualitative study of valence excited states.

• Archives of Pharmacal Research
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• v.25 no.1
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• pp.11-24
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• 2002

The antitumor antibiotic (+)-CC-1065 can alkylate N3 of guanine in certain sequences. A previous high-field $^1H$ NMR study on the$(+)-CC-1065d[GCGCAATTG*CGC]_2$ adduct ($^*$ indicates the drug alkylation site) showed that drag modification on N3 of guanine results in protonation of the cross-strand cytosine [Park, H-J.; Hurley, L. H. J. Am. Chem. Soc.1997, 119,629]. In this contribution we describe a further analysis of the NMR data sets together with restrained molecular dynamics. This study provides not only a solution structure of the (+)-CC-1065(N3- guanine) DNA duplex adduct but also new insight into the molecular basis for the sequence- specific interaction between (+)-CC-1065 and N3-guanine in the DNA duplex. On the basis of NOESY data, we propose that the narrow minor groove at the 7T8T step and conformational kinks at the junctions of 16C17A and 18A19T are both related to DNA bending in the drugDNA adduct. Analysis of the one-dimensional $^1H$ NMR (in $H_2O$) data and rMD trajectories strongly suggests that hydrogen bonding linkages between the 8-OH group of the (+)-CC-1065 A-sub-unit and the 9G10C phosphate via a water molecule are present. All the phenomena observed here in the (+)-CC-1065(N3-guanine) adduct at 5'$-AATTG^*$are reminiscent of those obtained from the studies on the (+)-CC-1065(N3-adenine) adduct at $5'-AGTTA^*$, suggesting that (+)-CC-1065 takes advantage of the conformational flexibility of the 5'-TPu step to entrap the bent structure required for the covalent bonding reaction. This study reveals a common molecular basis for (+)-CC-1065 alkylation at both $5'-TTG^*$ and $5'-TTA^*$, which involves a trapping out of sequence-dependent DNA conformational flexibility as well as sequence-dependent general acid and general base catalysis by duplex DNA.

• Korean Journal of Computational Design and Engineering
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• v.16 no.4
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• pp.249-259
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• 2011

In this paper we present our work on the parameterized construction of virtual drivers' reach motion to seat belt, by using motion capture data. A user can generate a new reach motion by controlling a number of parameters. We approach the problem by using multiple sets of example reach motions and learning the relation between the labeling parameters and the motion data. The work is composed of three tasks. First, we construct a motion database using multiple sets of labeled motion clips obtained by using a motion capture device. This involves removing the redundancy of each motion clip by using PCA (Principal Component Analysis), and establishing temporal correspondence among different motion clips by automatic segmentation and piecewise time warping of each clip. Next, we compute motion blending functions by learning the relation between labeling parameters (age, hip base point (HBP), and height) and the motion parameters as represented by a set of PC coefficients. During runtime, on-line motion synthesis is accomplished by evaluating the motion blending function from the user-supplied control parameters.