Automorphism group algorithm in computer-aided structure elucidation

It is necessary to generate automorphism group of chemical graph in computer-aided structure eluciation. In this paper, an algorithm is developed by all-path topological symmetry algorithm to build automorphism group of chemical graph. A comparison of several topological symmetry algorithm reveals that all-path algorthm can yield correct of class of chemical graph. It lays a foundation for ESESOC system for computer-aided structure elucidation.

Computer perception of topological symmetry by all-paths algorithm

During the development of our ESESOC system (Expert System for the Elucidation of the Structures of Organic Compounds), computer perception of topological symmetry is essential in searching for the canonical description of a molecular structure, removing the irredundant connections in the structure generation process, and specifying the number of peaks in C-13- and H-1-NMR spectra in the structure evaluation process. In the present paper, a new path identifier is introduced and an algorithm for detection of topological symmetry from a connection table is developed by the all-paths method. (C) 1999 Elsevier Science B.V. All rights reserved.

ALGORITHM FOR COMPUTER PERCEPTION OF TOPOLOGICAL SYMMETRY

For the exhaustive and irredundant generation of candidate structures in ESESOC (Expert System for the Elucidation of the Structures of Organic Compounds), a new algorithm for computer perception of topological equivalence classes of the nodes (non-hydrog

Computer Simulation Of Random Sphere Packing In An Arbitrarily Shaped Container

Most simulations of random sphere packing concern a cubic or cylindric container with periodic boundary, containers of other shapes are rarely studied. In this paper, a new relaxation algorithm with pre-expanding procedure for random sphere packing in an arbitrarily shaped container is presented. Boundaries of the container are simulated by overlapping spheres which covers the boundary surface of the container. We find 0.4 similar to 0.6 of the overlap rate is a proper value for boundary spheres. The algorithm begins with a random distribution of small internal spheres. Then the expansion and relaxation procedures are performed alternately to increase the packing density. The pre-expanding procedure stops when the packing density of internal spheres reaches a preset value. Following the pre-expanding procedure, the relaxation and shrinking iterations are carried out alternately to reduce the overlaps of internal spheres. The pre-expanding procedure avoids the overflow problem and gives a uniform distribution of initial spheres. Efficiency of the algorithm is increased with the cubic cell background system and double link data structure. Examples show the packing results agree well with both computational and experimental results. Packing density about 0.63 is obtained by the algorithm for random sphere packing in containers of various shapes.

Novel approach for region merging and image segmentation for human-computer interaction

For the purpose of human-computer interaction (HCI), a vision-based gesture segmentation approach is proposed. The technique essentially includes skin color detection and gesture segmentation. The skin color detection employs a skin-color artificial neural network (ANN). To merge and segment the region of interest, we propose a novel mountain algorithm. The details of the approach and experiment results are provided. The experimental segmentation accuracy is 96.25%. (C) 2003 Society of Photo-Optical Instrumentation Engineers.

A reliable phase unwrapping algorithm based on the local fitting plane and quality map

A fast and reliable phase unwrapping (PhU) algorithm, based on the local quality-guided fitting plane, is presented. Its framework depends on the basic plane-approximated assumption for phase values of local pixels and on the phase derivative variance (PDV) quality map. Compared with other existing popular unwrapping algorithms, the proposed algorithm demonstrated improved robustness and immunity to strong noise and high phase variations, given that the plane assumption for local phase is reasonably satisfied. Its effectiveness is demonstrated by computer-simulated and experimental results.

Weighted least-squares phase unwrapping algorithm based on derivative variance correlation map

Among different phase unwrapping approaches, the weighted least-squares minimization methods are gaining attention. In these algorithms, weighting coefficient is generated from a quality map. The intrinsic drawbacks of existing quality maps constrain the application of these algorithms. They often fail to handle wrapped phase data contains error sources, such as phase discontinuities, noise and undersampling. In order to deal with those intractable wrapped phase data, a new weighted least-squares phase unwrapping algorithm based on derivative variance correlation map is proposed. In the algorithm, derivative variance correlation map, a novel quality map, can truly reflect wrapped phase quality, ensuring a more reliable unwrapped result. The definition of the derivative variance correlation map and the principle of the proposed algorithm are present in detail. The performance of the new algorithm has been tested by use of a simulated spherical surface wrapped data and an experimental interferometric synthetic aperture radar (IFSAR) wrapped data. Computer simulation and experimental results have verified that the proposed algorithm can work effectively even when a wrapped phase map contains intractable error sources. (c) 2006 Elsevier GmbH. All rights reserved.

A VSLMS Style Tap-length Learning Algorithm for Structure Adaptation

Compared with the ordinary adaptive filter, the variable-length adaptive filter is more efficient (including smaller., lower power consumption and higher computational complexity output SNR) because of its tap-length learning algorithm, which is able to dynamically adapt its tap-length to the optimal tap-length that best balances the complexity and the performance of the adaptive filter. Among existing tap-length algorithms, the LMS-style Variable Tap-Length Algorithm (also called Fractional Tap-Length Algorithm or FT Algorithm) proposed by Y.Gong has the best performance because it has the fastest convergence rates and best stability. However, in some cases its performance deteriorates dramatically. To solve this problem, we first analyze the FT algorithm and point out some of its defects. Second, we propose a new FT algorithm called 'VSLMS' (Variable Step-size LMS) Style Tap-Length Learning Algorithm, which not only uses the concept of FT but also introduces a new concept of adaptive convergence slope. With this improvement the new FT algorithm has even faster convergence rates and better stability. Finally, we offer computer simulations to verify this improvement.

A novel image restoration algorithm based on high-dimensional space geometry

A novel image restoration approach based on high-dimensional space geometry is proposed, which is quite different from the existing traditional image restoration techniques. It is based on the homeomorphisms and "Principle of Homology Continuity" (PHC), an image is mapped to a point in high-dimensional space. Begin with the original blurred image, we get two further blurred images, then the restored image can be obtained through the regressive curve derived from the three points which are mapped form the images. Experiments have proved the availability of this "blurred-blurred-restored" algorithm, and the comparison with the classical Wiener Filter approach is presented in final.

An improved BP algorithm for pattern recognition

An improved BP algorithm for pattern recognition is proposed in this paper. By a function substitution for error measure, it resolves the inconsistency of BP algorithm for pattern recognition problems, i.e. the quadratic error is not sensitive to whether the training pattern is recognized correctly or not. Trained by this new method, the computer simulation result shows that the convergence speed is increased to treble and performance of the network is better than conventional BP algorithm with momentum and adaptive step size.

value-based multiple software projects scheduling with genetic algorithm

Chinese Acad Sci, ISCAS Lab Internet Software Technologies