Search results for "Maxima and minima"
showing 10 items of 75 documents
Globally Optimal Line Clustering and Vanishing Point Estimation in Manhattan World
2012
The projections of world parallel lines in an image intersect at a single point called the vanishing point (VP). VPs are a key ingredient for various vision tasks including rotation estimation and 3D reconstruction. Urban environments generally exhibit some dominant orthogonal VPs. Given a set of lines extracted from a calibrated image, this paper aims to (1) determine the line clustering, i.e. find which line belongs to which VP, and (2) estimate the associated orthogonal VPs. None of the existing methods is fully satisfactory because of the inherent difficulties of the problem, such as the local minima and the chicken-and-egg aspect. In this paper, we present a new algorithm that solves t…
Dynamical properties of the sleep EEG in different frequency bands.
1993
The information concerning the dynamic behavior of the sleep process gained by the usual evaluation of sleep EEGs according to the criteria of Rechtschaffen and Kales is limited. Therefore a new methodical approach is presented, which is a special case of spectral analyzed data processing. After digital band-pass filtering of the sleep EEG the root-mean-square (RMS) value of successive 20 s EEG epochs is calculated in defined frequency ranges. This procedure ensures to take into account the influence of the phase relation between different frequency components. The temporal course of these RMS values during the night reveals smooth curves with continuous transitions between different sleep …
Mapping the network of pathways of CO diffusion in myoglobin.
2010
The pathways of diffusion of a CO molecule inside a myoglobin protein and toward the solvent are investigated. Specifically, the three-dimensional potential of mean force (PMF or free energy) of the CO molecule position inside the protein is calculated by using the single-sweep method in concert with fully resolved atomistic simulations in explicit solvent. The results are interpreted under the assumption that the diffusion of the ligand can be modeled as a navigation on the PMF in which the ligand hops between the PMF local minima following the minimum free energy paths (MFEPs) with rates set by the free energy barriers that need to be crossed. Here, all the local minima of the PMF, the MF…
Getting discriminant functions of antibacterial activity from physicochemical and topological parameters.
2001
Linear discriminant analysis has been demonstrated to be a very useful tool in the selection and design of new drugs. Up to now we have used it through the search of a topological pattern of activity. In this work our goal is to calculate a complete set of physicochemical parameters using semiempirical (quantum chemical) calculations as well as topological indices (TIs) and try to find out any discriminant function for antibacterial activity through the combined use of both types of descriptors. The physicochemical parameters, such as heat of formation, HOMO, LUMO, dipole moment, polarizability, hyperpolarizability, PM3 generated IR vibrational frequencies, etc., were calculated using PM3 H…
An MO study of neutral C8 high-symmetry clusters
1997
Abstract Highly symmetric octacarbon clusters, i.e. a cube (O h ), a twisted cube (T d ), a tricyclic cage (C 3v ) and a planar (D 4h ) structure, were fully optimized at the HF, B3LYP and MP2(Full) levels of theory. These stationary points were shown to be local minima on the potential energy surface by frequency calculations. The stability of these clusters compared to the cyclic planar (C 4h ) ground state was found to be strongly dependent on the level of theory. MP2(Full) calculations suggest that cubic C 8 is a local minimum, its energy being 273 kJ/mol higher than the ground state. Structural parameters and fundamental vibrations are presented.
ChemInform Abstract: Getting Discriminant Functions of Antibacterial Activity from Physicochemical and Topological Parameters.
2010
Linear discriminant analysis has been demonstrated to be a very useful tool in the selection and design of new drugs. Up to now we have used it through the search of a topological pattern of activity. In this work our goal is to calculate a complete set of physicochemical parameters using semiempirical (quantum chemical) calculations as well as topological indices (TIs) and try to find out any discriminant function for antibacterial activity through the combined use of both types of descriptors. The physicochemical parameters, such as heat of formation, HOMO, LUMO, dipole moment, polarizability, hyperpolarizability, PM3 generated IR vibrational frequencies, etc., were calculated using PM3 H…
Vortex replication in Bose-Einstein condensates trapped in double-well potentials
2009
In this work we demonstrate, by means of numerical simulations, the possibility of replicating matter-wave vortices in a Bose-Einstein condensate trapped in a double-well potential. The most remarkable result is the generation of replicas of an initial vortex state located in one side of the double potential, which evolves into two copies, each one located in one of the potential minima. A simple linear theory gives the basic explanation of the phenomenon and predicts experimental realistic conditions for observation. A complementary strategy of easy experimental implementation to dramatically decrease the replication time is presented and numerically tested for the general case of nonlinea…
Direct to Indirect Crossover in III-VI Layered Compounds and Alloys under Pressure
1999
The pressure dependence of the optical absorption edge of In1± xGaxSe (0 < x < 0.2) and GaTe has been investigated in order to determine the direct to indirect crossover pressure and the energy difference between the absolute and subsidiary minima of the conduction band at ambient pressure. In the In1± xGaxSe alloy, the crossover pressure decreases with increasing Ga proportion. For InSe, from the extrapolation to x = 0 the band crossover is found to occur at 4.3 GPa and the subsidiary minimum of the conduction band is located, at ambient pressure, (0.32 0.02) eV above the absolute minimum. In addition, the energy difference between the conduction band minima is shown to decrease linearly w…
Detection of power line insulators on digital images with the use of laser spots
2019
The massive growth of technologies used to register and process digital images allow for their application in evaluating the technical condition of power lines. However, it is not possible without a set of dedicated methods for obtaining diagnostic information based on registered video data. The method described here details the detection of power line insulators in digital images featuring diversified backgrounds using laser spots. The algorithm of detecting an insulator in analysed images is based on testing the digital signal of pixel intensity profiles read between subsequent pairs of laser points in the image. The method is comprised of the following stages: import the image with laser…
Propagation of uncertainties in the Skyrme energy-density-functional model
2013
Parameters of nuclear energy-density-functionals (EDFs) are always derived by an optimization to experimental data. For the minima of appropriately defined penalty functions, a statistical sensitivity analysis provides the uncertainties of the EDF parameters. To quantify theoretical errors of observables given by the model, we studied the propagation of uncertainties within the UNEDF0 Skyrme-EDF approach. We found that typically the standard errors rapidly increase towards neutron rich nuclei. This can be linked to large uncertainties of the isovector coupling constants of the currently used EDFs.