Using genetic algorithm to design protein sequence

In this work, genetic algorithms concepts along with a rotamer library for proteins side chains are used to optimize the tertiary structure of the hydrophobic core of Cytochrome b(562) starting from the known PDB structure of its backbone which is kept fixed while the side chains of the hydrophobic core are allowed to adopt the conformations present in the rotamer library. The atoms of the side chains forming the core interact via van der Waals energy. Besides the prediction of the native core structure, it is also suggested a set of different amino acid sequences for this core. Comparison between these new cores and the native are made in terms of their volumes, van der Waals energies values and the numbers of contacts made by the side chains forming the cores. This paper proves that genetic algorithms area efficient to design new sequence for the protein core. (C) 2007 Elsevier B.V. All rights reserved.

Relaxation algorithm to hyperbolic states in Gross-Pitaevskii equation

A new version of the relaxation algorithm is proposed in order to obtain the stationary ground-state solutions of nonlinear Schrodinger-type equations, including the hyperbolic solutions. In a first example, the method is applied to the three-dimensional Gross-Pitaevskii equation, describing a condensed atomic system with attractive two-body interaction in a non-symmetrical trap, to obtain results for the unstable branch. Next, the approach is also shown to be very reliable and easy to be implemented in a non-symmetrical case that we have bifurcation, with nonlinear cubic and quintic terms. (c) 2006 Elsevier B.V. All rights reserved.

Algorithm for probing the unitarity of topologically massive models

An uncomplicated and easy handling prescription that converts the task of checking the unitarity of massive, topologically massive, models into a straightforward algebraic exercise, is developed. The algorithm is used to test the unitarity of both topologically massive higher-derivative electromagnetism (TMHDE) and topologically massive higher-derivative gravity (TMHDG). The novel and amazing features of these effective field models are also discussed.

An improved tabu-based vector optimal algorithm for design optimizations of electromagnetic devices

This paper introduces an improved tabu-based vector optimal algorithm for multiobjective optimal designs of electromagnetic devices. The improvements include a division of the entire search process, a new method for fitness assignment, a novel scheme for the generation and selection of neighborhood solutions, and so forth. Numerical results on a mathematical function and an engineering multiobjective design problem demonstrate that the proposed method can produce virtually the exact Pareto front, in both parameter and objective spaces, even though the iteration number used by it is only about 70% of that required by its ancestor.

Constructive heuristic algorithm for the DC model in network transmission expansion planning

A novel constructive heuristic algorithm to the network expansion planning problem is presented the basic idea comes from Garver's work applied to the transportation model, nevertheless the proposed algorithm is for the DC model. Tests results with most known systems in the literature are carried out to show the efficiency of the method.

Constructive heuristic algorithm in branch-and-bound structure applied to transmission network expansion planning

A constructive heuristic algorithm to solve the transmission system expansion planning problem is proposed with the aim of circumventing some critical problems of classical heuristic algorithms that employ relaxed mathematical models to calculate a sensitivity index that guides the circuit additions. The proposed heuristic algorithm is in a branch-and-bound algorithm structure, which can be used with any planning model, such as Transportation model, DC model, AC model or Hybrid models. Tests of the proposed algorithm are presented on real Brazilian systems.

Modified Chebyshev algorithm: some applications

Two applications of the modified Chebyshev algorithm are considered. The first application deals with the generation of orthogonal polynomials associated with a weight function having singularities on or near the end points of the interval of orthogonality. The other application involves the generation of real Szego polynomials.

Branch and bound algorithm for transmission system expansion planning using a transportation model

A method for optimal transmission network expansion planning is presented. The transmission network is modelled as a transportation network. The problem is solved using hierarchical Benders decomposition in which the problem is decomposed into master and slave subproblems. The master subproblem models the investment decisions and is solved using a branch-and-bound algorithm. The slave subproblem models the network operation and is solved using a specialised linear program. Several alternative implementations of the branch-and-bound algorithm have been rested. Special characteristics of the transmission expansion problem have been taken into consideration in these implementations. The methods have been tested on various test systems available in the literature.

Specialised branch-and-bound algorithm for transmission network expansion planning

An algorithm is presented that finds the optimal plan long-term transmission for till cases studied, including relatively large and complex networks. The knowledge of optimal plans is becoming more important in the emerging competitive environment, to which the correct economic signals have to be sent to all participants. The paper presents a new specialised branch-and-bound algorithm for transmission network expansion planning. Optimality is obtained at a cost, however: that is the use of a transportation model for representing the transmission network, in this model only the Kirchhoff current law is taken into account (the second law being relaxed). The expansion problem then becomes an integer linear program (ILP) which is solved by the proposed branch-and-bound method without any further approximations. To control combinatorial explosion the branch- and bound algorithm is specialised using specific knowledge about the problem for both the selection of candidate problems and the selection of the next variable to be used for branching. Special constraints are also used to reduce the gap between the optimal integer solution (ILP program) and the solution obtained by relaxing the integrality constraints (LP program). Tests have been performed with small, medium and large networks available in the literature.

Efficient linear programming algorithm for the transmission network expansion planning problem

The transmission network planning problem is a non-linear integer mixed programming problem (NLIMP). Most of the algorithms used to solve this problem use a linear programming subroutine (LP) to solve LP problems resulting from planning algorithms. Sometimes the resolution of these LPs represents a major computational effort. The particularity of these LPs in the optimal solution is that only some inequality constraints are binding. This task transforms the LP into an equivalent problem with only one equality constraint (the power flow equation) and many inequality constraints, and uses a dual simplex algorithm and a relaxation strategy to solve the LPs. The optimisation process is started with only one equality constraint and, in each step, the most unfeasible constraint is added. The logic used is similar to a proposal for electric systems operation planning. The results show a higher performance of the algorithm when compared to primal simplex methods.

An alternative approach to solve convergence problems in the backpropagation algorithm

The multilayer perceptron network has become one of the most used in the solution of a wide variety of problems. The training process is based on the supervised method where the inputs are presented to the neural network and the output is compared with a desired value. However, the algorithm presents convergence problems when the desired output of the network has small slope in the discrete time samples or the output is a quasi-constant value. The proposal of this paper is presenting an alternative approach to solve this convergence problem with a pre-conditioning method of the desired output data set before the training process and a post-conditioning when the generalization results are obtained. Simulations results are presented in order to validate the proposed approach.

Simple orbit determination using GPS based on a least-squares algorithm employing sequential givens rotations

A low-cost computer procedure to determine the orbit of an artificial satellite by using short arc data from an onboard GPS receiver is proposed. Pseudoranges are used as measurements to estimate the orbit via recursive least squares method. The algorithm applies orthogonal Givens rotations for solving recursive and sequential orbit determination problems. To assess the procedure, it was applied to the TOPEX/POSEIDON satellite for data batches of one orbital period (approximately two hours), and force modelling, due to the full JGM-2 gravity field model, was considered. When compared with the reference Precision Orbit Ephemeris (POE) of JPL/NASA, the results have indicated that precision better than 9 m is easily obtained, even when short batches of data are used. Copyright (c) 2007.

Tabu search algorithm for network synthesis

Large scale combinatorial problems such as the network expansion problem present an amazingly high number of alternative configurations with practically the same investment, but with substantially different structures (configurations obtained with different sets of circuit/transformer additions). The proposed parallel tabu search algorithm has shown to be effective in exploring this type of optimization landscape. The algorithm is a third generation tabu search procedure with several advanced features. This is the most comprehensive combinatorial optimization technique available for treating difficult problems such as the transmission expansion planning. The method includes features of a variety of other approaches such as heuristic search, simulated annealing and genetic algorithms. In all test cases studied there are new generation, load sites which can be connected to an existing main network: such connections may require more than one line, transformer addition, which makes the problem harder in the sense that more combinations have to be considered.

A modified ant colony optimization algorithm modeled on tabu-search methods

An earlier model underlying the foraging strategy of a pachycodyla apicalis ant is modified. The proposed algorithm incorporates key features of the tabu-search method in the development of a relatively simple but robust global ant colony optimization algorithm. Numerical results are reported to validate and demonstrate the feasibility and effectiveness of the proposed algorithm in solving electromagnetic (EM) design problems.