169,284 research outputs found

    Particle Swarm Optimization Toolbox

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    The Particle Swarm Optimization Toolbox is a library of evolutionary optimization tools developed in the MATLAB environment. The algorithms contained in the library include a genetic algorithm (GA), a single-objective particle swarm optimizer (SOPSO), and a multi-objective particle swarm optimizer (MOPSO). Development focused on both the SOPSO and MOPSO. A GA was included mainly for comparison purposes, and the particle swarm optimizers appeared to perform better for a wide variety of optimization problems. All algorithms are capable of performing unconstrained and constrained optimization. The particle swarm optimizers are capable of performing single and multi-objective optimization. The SOPSO and MOPSO algorithms are based on swarming theory and bird-flocking patterns to search the trade space for the optimal solution or optimal trade in competing objectives. The MOPSO generates Pareto fronts for objectives that are in competition. A GA, based on Darwin evolutionary theory, is also included in the library. The GA consists of individuals that form a population in the design space. The population mates to form offspring at new locations in the design space. These offspring contain traits from both of the parents. The algorithm is based on this combination of traits from parents to hopefully provide an improved solution than either of the original parents. As the algorithm progresses, individuals that hold these optimal traits will emerge as the optimal solutions. Due to the generic design of all optimization algorithms, each algorithm interfaces with a user-supplied objective function. This function serves as a "black-box" to the optimizers in which the only purpose of this function is to evaluate solutions provided by the optimizers. Hence, the user-supplied function can be numerical simulations, analytical functions, etc., since the specific detail of this function is of no concern to the optimizer. These algorithms were originally developed to support entry trajectory and guidance design for the Mars Science Laboratory mission but may be applied to any optimization problem

    An optimization method for dynamics of structures with repetitive component patterns

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    The occurrence of dynamic problems during the operation of machinery may have devastating effects on a product. Therefore, design optimization of these products becomes essential in order to meet safety criteria. In this research, a hybrid design optimization method is proposed where attention is focused on structures having repeating patterns in their geometries. In the proposed method, the analysis is decomposed but the optimization problem itself is treated as a whole. The model of an entire structure is obtained without modeling all the repetitive components using the merits of the Component Mode Synthesis method. Backpropagation Neural Networks are used for surrogate modeling. The optimization is performed using two techniques: Genetic Algorithms (GAs) and Sequential Quadratic Programming (SQP). GAs are utilized to increase the chance of finding the location of the global optimum and since this optimum may not be exact, SQP is employed afterwards to improve the solution. A theoretical test problem is used to demonstrate the method

    Contract-Based General-Purpose GPU Programming

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    Using GPUs as general-purpose processors has revolutionized parallel computing by offering, for a large and growing set of algorithms, massive data-parallelization on desktop machines. An obstacle to widespread adoption, however, is the difficulty of programming them and the low-level control of the hardware required to achieve good performance. This paper suggests a programming library, SafeGPU, that aims at striking a balance between programmer productivity and performance, by making GPU data-parallel operations accessible from within a classical object-oriented programming language. The solution is integrated with the design-by-contract approach, which increases confidence in functional program correctness by embedding executable program specifications into the program text. We show that our library leads to modular and maintainable code that is accessible to GPGPU non-experts, while providing performance that is comparable with hand-written CUDA code. Furthermore, runtime contract checking turns out to be feasible, as the contracts can be executed on the GPU

    Inductive queries for a drug designing robot scientist

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    It is increasingly clear that machine learning algorithms need to be integrated in an iterative scientific discovery loop, in which data is queried repeatedly by means of inductive queries and where the computer provides guidance to the experiments that are being performed. In this chapter, we summarise several key challenges in achieving this integration of machine learning and data mining algorithms in methods for the discovery of Quantitative Structure Activity Relationships (QSARs). We introduce the concept of a robot scientist, in which all steps of the discovery process are automated; we discuss the representation of molecular data such that knowledge discovery tools can analyse it, and we discuss the adaptation of machine learning and data mining algorithms to guide QSAR experiments
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