Fast Computation of the Fitness Function for Protein Folding Prediction in a 2D Hydrophobic-Hydrophilic Model

Protein Folding Prediction (PFP) is essentially an energy minimization problem formalised by the definition of a fitness function. Several PFP models have been proposed including the Hydrophobic-Hydrophilic (HP) model, which is widely used as a test-bed for evaluating new algorithms. The calculation of the fitness is the major computational task in determining the native conformation of a protein in the HP model and this paper presents a new efficient search algorithm (ESA) for deriving the fitness value requiring only O(n) complexity in contrast to the full search approach, which takes O(n2). The improved efficiency of ESA is achieved by exploiting some intrinsic properties of the HP model, with a resulting reduction of more than 50% in the overall time complexity when compared with the previously reported Caching Approach, with the added benefit that the additional space complexity is linear instead of quadratic

Flexible protein folding by ant colony optimization

Protein structure prediction is one of the most challenging topics in bioinformatics. As the protein structure is found to be closely related to its functions, predicting the folding structure of a protein to judge its functions is meaningful to the humanity. This chapter proposes a flexible ant colony (FAC) algorithm for solving protein folding problems (PFPs) based on the hydrophobic-polar (HP) square lattice model. Different from the previous ant algorithms for PFPs, the pheromones in the proposed algorithm are placed on the arcs connecting adjacent squares in the lattice. Such pheromone placement model is similar to the one used in the traveling salesmen problems (TSPs), where pheromones are released on the arcs connecting the cities. Moreover, the collaboration of effective heuristic and pheromone strategies greatly enhances the performance of the algorithm so that the algorithm can achieve good results without local search methods. By testing some benchmark two-dimensional hydrophobic-polar (2D-HP) protein sequences, the performance shows that the proposed algorithm is quite competitive compared with some other well-known methods for solving the same protein folding problems

Model predictive control techniques for hybrid systems

This paper describes the main issues encountered when applying model predictive control to hybrid processes. Hybrid model predictive control (HMPC) is a research field non-fully developed with many open challenges. The paper describes some of the techniques proposed by the research community to overcome the main problems encountered. Issues related to the stability and the solution of the optimization problem are also discussed. The paper ends by describing the results of a benchmark exercise in which several HMPC schemes were applied to a solar air conditioning plant.Ministerio de Eduación y Ciencia DPI2007-66718-C04-01Ministerio de Eduación y Ciencia DPI2008-0581

Hybrid model predictive control for freeway traffic using discrete speed limit signals

HYCON2 Show day - Traffic modeling, Estimation and Control 13/05/2014 GrenobleIn this paper, two hybrid Model Predictive Control (MPC) approaches for freeway traffic control are proposed considering variable speed limits (VSL) as discrete variables as in current real world implementations. These discrete characteristics of the speed limits values and some necessary constraints for the actual operation of VSL are usually underestimated in the literature, so we propose a way to include them using a macroscopic traffic model within an MPC framework. For obtaining discrete signals, the MPC controller has to solve a highly non-linear optimization problem, including mixed-integer variables. Since solving such a problem is complex and difficult to execute in real-time, we propose some methods to obtain reasonable control actions in a limited computation time. The first two methods (-exhaustive and -genetic discretization) consist of first relaxing the discrete constraints for the VSL inputs; and then, based on this continuous solution and using a genetic or an exhaustive algorithm, to find discrete solutions within a distance of the continuous solution that provide a good performance. The second class of methods split the problem in a continuous optimization for the ramp metering signals and in a discrete optimization for speed limits. The speed limits optimization, which is much more time-consuming than the ramp metering one, is solved by a genetic or an exhaustive algorithm in communication with a non-linear solver for the ramp metering. The proposed methods are tested by simulation, showing not only a good performance, but also keeping the computation time reduced.Unión Europea FP7/2007–201

Driven by Compression Progress: A Simple Principle Explains Essential Aspects of Subjective Beauty, Novelty, Surprise, Interestingness, Attention, Curiosity, Creativity, Art, Science, Music, Jokes

I argue that data becomes temporarily interesting by itself to some self-improving, but computationally limited, subjective observer once he learns to predict or compress the data in a better way, thus making it subjectively simpler and more beautiful. Curiosity is the desire to create or discover more non-random, non-arbitrary, regular data that is novel and surprising not in the traditional sense of Boltzmann and Shannon but in the sense that it allows for compression progress because its regularity was not yet known. This drive maximizes interestingness, the first derivative of subjective beauty or compressibility, that is, the steepness of the learning curve. It motivates exploring infants, pure mathematicians, composers, artists, dancers, comedians, yourself, and (since 1990) artificial systems.Comment: 35 pages, 3 figures, based on KES 2008 keynote and ALT 2007 / DS 2007 joint invited lectur

State-of-the-art in aerodynamic shape optimisation methods

Aerodynamic optimisation has become an indispensable component for any aerodynamic design over the past 60 years, with applications to aircraft, cars, trains, bridges, wind turbines, internal pipe flows, and cavities, among others, and is thus relevant in many facets of technology. With advancements in computational power, automated design optimisation procedures have become more competent, however, there is an ambiguity and bias throughout the literature with regards to relative performance of optimisation architectures and employed algorithms. This paper provides a well-balanced critical review of the dominant optimisation approaches that have been integrated with aerodynamic theory for the purpose of shape optimisation. A total of 229 papers, published in more than 120 journals and conference proceedings, have been classified into 6 different optimisation algorithm approaches. The material cited includes some of the most well-established authors and publications in the field of aerodynamic optimisation. This paper aims to eliminate bias toward certain algorithms by analysing the limitations, drawbacks, and the benefits of the most utilised optimisation approaches. This review provides comprehensive but straightforward insight for non-specialists and reference detailing the current state for specialist practitioners