Description of the thermodynamic properties and fluid-phase behavior of aqueous solutions of linear,branched, and cyclic amines

The SAFT-γ Mie group-contribution equation of state is used to represent the fluid-phase behavior of aqueous solutions of a variety of linear, branched, and cyclic amines. New group interactions are developed in order to model the mixtures of interest, including the like and unlike interactions between alkyl primary, secondary, and tertiary amine groups (NH₂, NH, N), cyclic secondary and tertiary amine groups (cNH, cN), and cyclic methine-amine groups (cCHNH, cCHN) with water (H₂O). The group-interaction parameters are estimated from appropriate experimental thermodynamic data for pure amines and selected mixtures. By taking advantage of the group-contribution nature of the method, one can describe the fluid-phase behavior of mixtures of molecules comprising those groups over broad ranges of temperature, pressure, and composition. A number of aqueous solutions of amines are studied including linear, branched aliphatic, and cyclic amines. Liquid–liquid equilibria (LLE) bounded by lower critical solution temperatures (LCSTs) have been reported experimentally and are reproduced here with the SAFT-γ Mie approach. The main feature of the approach is the ability not only to represent accurately the experimental data employed in the parameter estimation, but also to predict the vapor–liquid, liquid–liquid, and vapor–liquid–liquid equilibria, and LCSTs with the same set of parameters. Pure compound and binary phase diagrams of diverse types of amines and their aqueous solutions are assessed in order to demonstrate the main features of the thermodynamic and fluid-phase behavior.     

An experimental study of adaptive control for evolutionary algorithms

In this paper, we investigate how adaptive operator selection techniques are able to efficiently manage the balance between exploration and exploitation in an evolutionary algorithm, when solving combinatorial optimization problems. We introduce new high level reactive search strategies based on a generic algorithm's controller that is able to schedule the basic variation operators of the evolutionary algorithm, according to the observed state of the search. Our experiments on SAT instances show that reactive search strategies improve the performance of the solving algorithm.     

Evolutionary collective behavior decomposition model for time series data mining

In this research, we propose a novel framework referred to as collective game behavior decomposition where complex collective behavior is assumed to be generated by aggregation of several groups of agents following different strategies and complexity emerges from collaboration and competition of individuals. The strategy of an agent is modeled by certain simple game theory models with limited information. Genetic algorithms are used to obtain the optimal collective behavior decomposition based on history data. The trained model can be used for collective behavior prediction. For modeling individual behavior, two simple games, the minority game and mixed game are investigated in experiments on the real-world stock prices and foreign-exchange rate. Experimental results are presented to show the effectiveness of the new proposed model.     

Lagrangian relaxation hybrid with evolutionary algorithm for short-term generation scheduling

Short-term generation scheduling is an important function in daily operational planning of power systems. It is defined as optimal scheduling of power generators over a scheduling period while respecting various generator constraints and system constraints. Objective of the problem includes costs associated with energy production, start-up cost and shut-down cost along with profits. The resulting problem is a large scale nonlinear mixed-integer optimization problem for which there is no exact solution technique available. The solution to the problem can be obtained only by complete enumeration, often at the cost of a prohibitively computation time requirement for realistic power systems. This paper presents a hybrid algorithm which combines Lagrangian Relaxation (LR) together with Evolutionary Algorithm (EA) to solve the problem in cooperative and competitive energy environments. Simulation studies were carried out on different systems containing various numbers of units. The outcomes from different algorithms are compared with that from the proposed hybrid algorithm and the advantages of the proposed algorithm are briefly discussed.     

Covariance matrix adaptation evolution strategy based design of fixed structure robust H∞ loop shaping controller

This paper proposes the application of Covariance Matrix Adaptation Evolution Strategy (CMA-ES) in fixed structure H_∞ loop shaping controller design. Integral Time Absolute Error (ITAE) performance requirement is incorporated as a constraint with an objective of maximization of stability margin in the fixed structure H_∞ loop shaping controller design problem. Pneumatic servo system, separating tower process and F18 fighter aircraft system are considered as test systems. The CMA-ES designed fixed structure H_∞ loop-shaping controller is compared with the traditional H_∞ loop shaping controller, non-smooth optimization and Heuristic Kalman Algorithm (HKA) based fixed structure H_∞ loop shaping controllers in terms of stability margin. 20% perturbation in the nominal plant is used to validate the robustness of the CMA-ES designed H_∞ loop shaping controller. The effect of Finite Word Length (FWL) is considered to show the implementation difficulties of controller in digital processors. Simulation results demonstrated that CMA-ES based fixed structure H_∞ loop shaping controller is suitable for real time implementation with good robust stability and performance.     

Quantum computation based bundling optimization for combinatorial auction in freight service procurements

Combinatorial auction is a useful trade manner for transportation service procurements in e-marketplaces. To enhance the competition of combinatorial auction, a novel auction mechanism of two-round bidding with bundling optimization is proposed. As the recommended the auction mechanism, the shipper/auctioneer integrates the objects into several bundles based on the bidding results of first round auction. Then, carriers/bidders bid for the object bundles in second round. The bundling optimization is described as a multi-objective model with two criteria on price complementation and combination consistency. A Quantum Evolutionary Algorithm (QEA) with β-based rotation gate and the encoding scheme based on non-zero elements in complementary coefficient matrix is developed for the model solution. Comparing with a Contrast Genetic Algorithm, QEA can achieve better computational performances for small and middle size problems.     

On the Way to Assess Emotions in Animals: Do Lambs (Ovis aries) Evaluate an Event Through Its Suddenness, Novelty, or Unpredictability?

Appraisal theories provide a framework that gives insight into emotions and could allow comparisons across species. According to these theories, events are first evaluated on their suddenness, novelty, and unpredictability. The authors examined the ability of lambs (Ovis aries) to evaluate an event according to these 3 criteria through 3 tests. The lambs responded to suddenness with a startle response coupled with an increase in heart rate and to novelty with an orientation response coupled with an increase of vagal activity. There was no clear evidence that lambs can detect the predictability of an event. Those results support the usefulness of appraisal theories to assess emotion in animals. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Evolutionary algorithms and de novo peptide design

One of the goals of computational chemistry is the automated de novo design of bioactive molecules. Despite significant progress in computational approaches to ligand design and efficient evaluation of binding energy, novel procedures for ligand design are required. Evolutionary computation provides a new approach to this design issue. This paper presents an automated methodology for computer-aided peptide design based on evolutionary algorithms. It provides an automatic tool for peptide de novo design, based on protein surface patches defined by user. Regarding the restrictive constrains of this problem a special emphasis has been made on the design of the evolutionary algorithms implemented.     

Optimal ensemble construction via meta-evolutionary ensembles

In this paper, we propose a meta-evolutionary approach to improve on the performance of individual classifiers. In the proposed system, individual classifiers evolve, competing to correctly classify test points, and are given extra rewards for getting difficult points right. Ensembles consisting of multiple classifiers also compete for member classifiers, and are rewarded based on their predictive performance. In this way we aim to build small-sized optimal ensembles rather than form large-sized ensembles of individually-optimized classifiers. Experimental results on 15 data sets suggest that our algorithms can generate ensembles that are more effective than single classifiers and traditional ensemble methods.     

A pattern recognition-based approach for phylogenetic network construction with constrained recombination

The tree representation of evolutionary relationship oversimplifies the view of the process of evolution as it cannot take into account the events such as horizontal gene transfer, hybridization, homoplasy and genetic recombination. Several algorithms exist for constructing phylogenetic networks which result from events such as horizontal gene transfer, hybridization and homoplasy. Very little work has been published on the algorithmic detail of phylogenetic networks with constrained recombination. The problem of minimizing the number of recombinations in a phylogenetic network, constructed using binary DNA sequences, is NP-hard. In this paper, we propose a pattern recognition-based O(n²) time approach for constructing the phylogenetic network, where n is the number of nodes or sequences in the input data. The network is constructed with the restriction that no two cycles in the network share a common node.