Search results for "computational"

Approximate Taylor methods for ODEs

2017

Abstract A new method for the numerical solution of ODEs is presented. This approach is based on an approximate formulation of the Taylor methods that has a much easier implementation than the original Taylor methods, since only the functions in the ODEs, and not their derivatives, are needed, just as in classical Runge–Kutta schemes. Compared to Runge–Kutta methods, the number of function evaluations to achieve a given order is higher, however with the present procedure it is much easier to produce arbitrary high-order schemes, which may be important in some applications. In many cases the new approach leads to an asymptotically lower computational cost when compared to the Taylor expansio…

Flow and Heat Transfer in Corrugated Passages: Direct and Large-Eddy Simulation and Comparison with Experimental Results

1993

Natural induction: An objective bayesian approach

2009

The statistical analysis of a sample taken from a finite population is a classic problem for which no generally accepted objective Bayesian results seem to exist. Bayesian solutions to this problem may be very sensitive to the choice of the prior, and there is no consensus as to the appropriate prior to use.

Solving a model for the evolution of smoking habit in Spain with homotopy analysis method

2013

We obtain an approximated analytical solution for a dynamic model for the prevalence of the smoking habit in a constant population but with equal and different from zero birth and death rates. This model has been successfully used to explain the evolution of the smoking habit in Spain. By means of the Homotopy Analysis Method, we obtain an analytic expression in powers of time t which reproduces the correct solution for a certain range of time. To enlarge the domain of convergence we have applied the so-called optimal convergence-control parameter technique and the homotopy-Padé technique. We present and discuss graphical results for our solutions. ©

Conformational equilibrium of chorismate. A QM/MM theoretical study combining statistical simulations and geometry optimisations in gas phase and in …

2003

We report a theoretical study on the conformational equilibrium of chorismate that precedes its rearrangement to prephenate, an important enzyme-catalyzed reaction. In first place we show that the usual classification of chorismate conformers based on the relative position of the hydroxyl and ether bridge, pseudo-diaxial and pseudo-diequatorial, is not the only relevant factor from the point of view of the a posteriori rearrangement. Here we also analyse another complementary geometrical classification based on the interatomic distance between the carbon atoms to be bounded. Using the umbrella sampling approach and this distance as distinguished internal reaction coordinate, the gas phase A…

On determining unknown functions in differential systems, with an application to biological reactors.

2003

In this paper, we consider general nonlinear systems with observations, containing a (single) unknown function φ . We study the possibility to learn about this unknown function via the observations: if it is possible to determine the [values of the] unknown function from any experiment [on the set of states visited during the experiment], and for any arbitrary input function, on any time interval, we say that the system is “identifiable”. For systems without controls, we give a more or less complete picture of what happens for this identifiability property. This picture is very similar to the picture of the “observation theory” in [7]: Contrarily to the case of the observability property, i…

A Neuro-Ethological Approach for the TSP: Changing Metaphors in Connectionist Models.

1994

Biological systems often offer solutions to difficult problems which are not only original but also efficient. Connectionist models have been inspired by neural systems and successfully applied to the formulation of algorithms for solving complex problems such as the travelling salesman problem. In this paper we extend the connectionist metaphor to include an ethological account of how problems similar to the travelling salesman problem are solved by real living systems. A model is presented in which a population of neural networks with simple sensory-motor systems evolve genetically in simulated environments which represent the problem instances to be solved. Preliminary results are discu…

Noise in ecosystems: a short review

2004

Noise, through its interaction with the nonlinearity of the living systems, can give rise to counter-intuitive phenomena such as stochastic resonance, noise-delayed extinction, temporal oscillations, and spatial patterns. In this paper we briefly review the noise-induced effects in three different ecosystems: (i) two competing species; (ii) three interacting species, one predator and two preys, and (iii) N-interacting species. The transient dynamics of these ecosystems are analyzed through generalized Lotka-Volterra equations in the presence of multiplicative noise, which models the interaction between the species and the environment. The interaction parameter between the species is random …

Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics

2019

We determined the complete relaxation dynamics of pyrene in ethanol from the second bright state, employing experimental and theoretical broadband heterodyne detected transient grating and two-dimensional photon echo (2DPE) spectroscopy, using pulses with duration of 6 fs and covering a spectral range spanning from 250 to 300 nm. Multiple lifetimes are assigned to conical intersections through a cascade of electronic states, eventually leading to a rapid population of the lowest long-living excited state and subsequent slow vibrational cooling. The lineshapes in the 2DPE spectra indicate that the efficiency of the population transfer depends on the kinetic energy deposited into modes requir…

Memetic Compact Differential Evolution for Cartesian Robot Control

2010

This article deals with optimization problems to be solved in the absence of a full power computer device. The goal is to solve a complex optimization problem by using a control card related to portable devices, e.g. for the control of commercial robots. In order to handle this class of optimization problems, a novel Memetic Computing approach is presented. The proposed algorithm employs a Differential Evolution framework which instead of processing an actual population of candidate solutions, makes use of a statistical representation of the population which evolves over time. In addition, the framework uses a stochastic local search algorithm which attempts to enhance the performance of th…