Singlet-state creation and universal quantum computation in NMR using a genetic algorithm

The experimental implementation of a quantum algorithm requires the decomposition of unitary operators. Here we treat unitary-operator decomposition as an optimization problem, and use a genetic algorithm-a global-optimization method inspired by nature's evolutionary process-for operator decomposition. We apply this method to NMR quantum information processing, and find a probabilistic way of performing universal quantum computation using global hard pulses. We also demonstrate the efficient creation of the singlet state (a special type of Bell state) directly from thermal equilibrium, using an optimum sequence of pulses. © 2012 American Physical Society.

Singlet-state creation and universal quantum computation in NMR using a genetic algorithm

The experimental implementation of a quantum algorithm requires the decomposition of unitary operators. Here we treat unitary-operator decomposition as an optimization problem, and use a genetic algorithm-a global-optimization method inspired by nature's evolutionary process-for operator decomposition. We apply this method to NMR quantum information processing, and find a probabilistic way of performing universal quantum computation using global hard pulses. We also demonstrate the efficient creation of the singlet state (a special type of Bell state) directly from thermal equilibrium, using an optimum sequence of pulses.

As(3)p: A Fast Algorithm to Search Structurally Similar Protiens

Protein structure comparison is essential for understanding various aspects of protein structure, function and evolution. It can be used to explore the structural diversity and evolutionary patterns of protein families. In view of the above, a new algorithm is proposed which performs faster protein structure comparison using the peptide backbone torsional angles. It is fast, robust, computationally less expensive and efficient in finding structural similarities between two different protein structures and is also capable of identifying structural repeats within the same protein molecule.

An algorithm to find all palindromic sequences in proteins

A palindrome is a set of characters that reads the same forwards and backwards. Since the discovery of palindromic peptide sequences two decades ago, little effort has been made to understand its structural, functional and evolutionary significance. Therefore, in view of this, an algorithm has been developed to identify all perfect palindromes (excluding the palindromic subset and tandem repeats) in a single protein sequence. The proposed algorithm does not impose any restriction on the number of residues to be given in the input sequence. This avant-garde algorithm will aid in the identification of palindromic peptide sequences of varying lengths in a single protein sequence.

Fast and accurate quantification using Genetic Algorithm optimized H-1-C-13 refocused constant-time INEPT

Using Genetic Algorithm, a global optimization method inspired by nature's evolutionary process, we have improved the quantitative refocused constant-time INEPT experiment (Q-INEPT-CT) of Makela et al. (JMR 204 (2010) 124-130) with various optimization constraints. The improved `average polarization transfer' and `min-max difference' of new delay sets effectively reduces the experimental time by a factor of two (compared with Q-INEPT-CT, Makela et al.) without compromising on accuracy. We also discuss a quantitative spectral editing technique based on average polarization transfer. (C) 2013 Elsevier Inc. All rights reserved.

Diffraction tomography from intensity measurements: an evolutionary stochastic search to invert experimental data

We develop iterative diffraction tomography algorithms, which are similar to the distorted Born algorithms, for inverting scattered intensity data. Within the Born approximation, the unknown scattered field is expressed as a multiplicative perturbation to the incident field. With this, the forward equation becomes stable, which helps us compute nearly oscillation-free solutions that have immediate bearing on the accuracy of the Jacobian computed for use in a deterministic Gauss-Newton (GN) reconstruction. However, since the data are inherently noisy and the sensitivity of measurement to refractive index away from the detectors is poor, we report a derivative-free evolutionary stochastic scheme, providing strictly additive updates in order to bridge the measurement-prediction misfit, to arrive at the refractive index distribution from intensity transport data. The superiority of the stochastic algorithm over the GN scheme for similar settings is demonstrated by the reconstruction of the refractive index profile from simulated and experimentally acquired intensity data. (C) 2014 Optical Society of America

A species conserving genetic algorithm for multimodal function optimization

This paper introduces a new technique called species conservation for evolving parallel subpopulations. The technique is based on the concept of dividing the population into several species according to their similarity. Each of these species is built around a dominating individual called the species seed. Species seeds found in the current generation are saved (conserved) by moving them into the next generation. Our technique has proved to be very effective in finding multiple solutions of multimodal optimization problems. We demonstrate this by applying it to a set of test problems, including some problems known to be deceptive to genetic algorithms.

Robust Control of Evolutionary Dynamics

The application of principles from evolutionary biology has long been used to gain new insights into the progression and clinical control of both infectious diseases and neoplasms. This iterative evolutionary process consists of expansion, diversification and selection within an adaptive landscape - species are subject to random genetic or epigenetic alterations that result in variations; genetic information is inherited through asexual reproduction and strong selective pressures such as therapeutic intervention can lead to the adaptation and expansion of resistant variants. These principles lie at the center of modern evolutionary synthesis and constitute the primary reasons for the development of resistance and therapeutic failure, but also provide a framework that allows for more effective control.

A model system for studying the evolution of resistance and control of therapeutic failure is the treatment of chronic HIV-1 infection by broadly neutralizing antibody (bNAb) therapy. A relatively recent discovery is that a minority of HIV-infected individuals can produce broadly neutralizing antibodies, that is, antibodies that inhibit infection by many strains of HIV. Passive transfer of human antibodies for the prevention and treatment of HIV-1 infection is increasingly being considered as an alternative to a conventional vaccine. However, recent evolution studies have uncovered that antibody treatment can exert selective pressure on virus that results in the rapid evolution of resistance. In certain cases, complete resistance to an antibody is conferred with a single amino acid substitution on the viral envelope of HIV.

The challenges in uncovering resistance mechanisms and designing effective combination strategies to control evolutionary processes and prevent therapeutic failure apply more broadly. We are motivated by two questions: Can we predict the evolution to resistance by characterizing genetic alterations that contribute to modified phenotypic fitness? Given an evolutionary landscape and a set of candidate therapies, can we computationally synthesize treatment strategies that control evolution to resistance?

To address the first question, we propose a mathematical framework to reason about evolutionary dynamics of HIV from computationally derived Gibbs energy fitness landscapes -- expanding the theoretical concept of an evolutionary landscape originally conceived by Sewall Wright to a computable, quantifiable, multidimensional, structurally defined fitness surface upon which to study complex HIV evolutionary outcomes.

To design combination treatment strategies that control evolution to resistance, we propose a methodology that solves for optimal combinations and concentrations of candidate therapies, and allows for the ability to quantifiably explore tradeoffs in treatment design, such as limiting the number of candidate therapies in the combination, dosage constraints and robustness to error. Our algorithm is based on the application of recent results in optimal control to an HIV evolutionary dynamics model and is constructed from experimentally derived antibody resistant phenotypes and their single antibody pharmacodynamics. This method represents a first step towards integrating principled engineering techniques with an experimentally based mathematical model in the rational design of combination treatment strategies and offers predictive understanding of the effects of combination therapies of evolutionary dynamics and resistance of HIV. Preliminary in vitro studies suggest that the combination antibody therapies predicted by our algorithm can neutralize heterogeneous viral populations despite containing resistant mutations.

Muitiobjective pressurized water reactor reload core design by nondominated genetic algorithm search

The design of pressurized water reactor reload cores is not only a formidable optimization problem but also, in many instances, a multiobjective problem. A genetic algorithm (GA) designed to perform true multiobjective optimization on such problems is described. Genetic algorithms simulate natural evolution. They differ from most optimization techniques by searching from one group of solutions to another, rather than from one solution to another. New solutions are generated by breeding from existing solutions. By selecting better (in a multiobjective sense) solutions as parents more often, the population can be evolved to reveal the trade-off surface between the competing objectives. An example illustrating the effectiveness of this novel method is presented and analyzed. It is found that in solving a reload design problem the algorithm evaluates a similar number of loading patterns to other state-of-the-art methods, but in the process reveals much more information about the nature of the problem being solved. The actual computational cost incurred depends: on the core simulator used; the GA itself is code independent.

Data-based robust multiobjective optimization of interconnected processes: energy efficiency case study in papermaking.

Reducing energy consumption is a major challenge for "energy-intensive" industries such as papermaking. A commercially viable energy saving solution is to employ data-based optimization techniques to obtain a set of "optimized" operational settings that satisfy certain performance indices. The difficulties of this are: 1) the problems of this type are inherently multicriteria in the sense that improving one performance index might result in compromising the other important measures; 2) practical systems often exhibit unknown complex dynamics and several interconnections which make the modeling task difficult; and 3) as the models are acquired from the existing historical data, they are valid only locally and extrapolations incorporate risk of increasing process variability. To overcome these difficulties, this paper presents a new decision support system for robust multiobjective optimization of interconnected processes. The plant is first divided into serially connected units to model the process, product quality, energy consumption, and corresponding uncertainty measures. Then multiobjective gradient descent algorithm is used to solve the problem in line with user's preference information. Finally, the optimization results are visualized for analysis and decision making. In practice, if further iterations of the optimization algorithm are considered, validity of the local models must be checked prior to proceeding to further iterations. The method is implemented by a MATLAB-based interactive tool DataExplorer supporting a range of data analysis, modeling, and multiobjective optimization techniques. The proposed approach was tested in two U.K.-based commercial paper mills where the aim was reducing steam consumption and increasing productivity while maintaining the product quality by optimization of vacuum pressures in forming and press sections. The experimental results demonstrate the effectiveness of the method.

Data-based robust multiobjective optimization of interconnected processes: Energy efficiency case study in papermaking

Reducing energy consumption is a major challenge for energy-intensive industries such as papermaking. A commercially viable energy saving solution is to employ data-based optimization techniques to obtain a set of optimized operational settings that satisfy certain performance indices. The difficulties of this are: 1) the problems of this type are inherently multicriteria in the sense that improving one performance index might result in compromising the other important measures; 2) practical systems often exhibit unknown complex dynamics and several interconnections which make the modeling task difficult; and 3) as the models are acquired from the existing historical data, they are valid only locally and extrapolations incorporate risk of increasing process variability. To overcome these difficulties, this paper presents a new decision support system for robust multiobjective optimization of interconnected processes. The plant is first divided into serially connected units to model the process, product quality, energy consumption, and corresponding uncertainty measures. Then multiobjective gradient descent algorithm is used to solve the problem in line with user's preference information. Finally, the optimization results are visualized for analysis and decision making. In practice, if further iterations of the optimization algorithm are considered, validity of the local models must be checked prior to proceeding to further iterations. The method is implemented by a MATLAB-based interactive tool DataExplorer supporting a range of data analysis, modeling, and multiobjective optimization techniques. The proposed approach was tested in two U.K.-based commercial paper mills where the aim was reducing steam consumption and increasing productivity while maintaining the product quality by optimization of vacuum pressures in forming and press sections. The experimental results demonstrate the effectiveness of the method. © 2006 IEEE.