微阵列器件的功能化:使用多目标粒子群和多响应MARS建模的过程优化

Laura Villanova, P. Falcaro, D. Carta, I. Poli, Rob J Hyndman, K. Smith‐Miles
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引用次数: 3

摘要

提出了一种通过溶胶-凝胶化学方法优化微阵列涂层的进化方法。该方法的目的是面对问题的挑战性方面:未知的目标函数,高维变量空间,对自变量的约束,多个响应,昂贵或耗时的实验试验,自变量和响应变量之间的函数关系的预期复杂性。该方法结合多目标粒子群优化(PSO)和多响应多元自适应回归样条(MARS)模型,迭代选择实验集。在算法的每次迭代中,对所选择的实验进行实施和评估,并将系统响应用作选择新试验的反馈。该方法的性能是根据每次改变一个变量获得的最佳涂层的改进来衡量的(科学家通常使用的方法)。已经检测到相关的增强,并且所提出的进化方法被证明是一种有用的过程优化方法,具有巨大的工业应用前景。
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Functionalization of microarray devices: Process optimization using a multiobjective PSO and multiresponse MARS modeling
An evolutionary approach for the optimization of microarray coatings produced via sol-gel chemistry is presented. The aim of the methodology is to face the challenging aspects of the problem: unknown objective function, high dimensional variable space, constraints on the independent variables, multiple responses, expensive or time-consuming experimental trials, expected complexity of the functional relationships between independent and response variables. The proposed approach iteratively selects a set of experiments by combining a multiob-jective Particle Swarm Optimization (PSO) and a multiresponse Multivariate Adaptive Regression Splines (MARS) model. At each iteration of the algorithm the selected experiments are implemented and evaluated, and the system response is used as a feedback for the selection of the new trials. The performance of the approach is measured in terms of improvements with respect to the best coating obtained changing one variable at a time (the method typically used by scientists). Relevant enhancements have been detected, and the proposed evolutionary approach is shown to be a useful methodology for process optimization with great promise for industrial applications.
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