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基于代理模型的自适应采样优化用于微流控浓度梯度发生器设计。

Surrogate-based optimization with adaptive sampling for microfluidic concentration gradient generator design.

作者信息

Yang Haizhou, Hong Seong Hyeon, ZhG Rei, Wang Yi

机构信息

Department of Mechanical Engineering, University of South Carolina Columbia SC 29208 USA

Department of Traffic Information and Control Engineering, Tongji University Shanghai 200092 P. R. China.

出版信息

RSC Adv. 2020 Apr 6;10(23):13799-13814. doi: 10.1039/d0ra01586e. eCollection 2020 Apr 1.

Abstract

This paper presents a surrogate-based optimization (SBO) method with adaptive sampling for designing microfluidic concentration gradient generators (μCGGs) to meet prescribed concentration gradients (CGs). An efficient physics-based component model (PBCM) is used to generate data for Kriging-based surrogate model construction. In a comparative analysis, various combinations of regression and correlation models in Kriging, and different adaptive sampling (infill) techniques are inspected to enhance model accuracy and optimization efficiency. The results show that the first-order polynomial regression and the Gaussian correlation models together form the most accurate model, and the lower bound (LB) infill strategy in general allows the most efficient global optimum search. The CGs generated by optimum designs match very well with prescribed CGs, and the discrepancy is less than 12% even with an inherent limitation of the μCGG. It is also found that SBO with adaptive sampling enables much more efficient and accurate design than random sampling-based surrogate modeling and optimization, and is more robust than the gradient-based optimization for searching the global optimum.

摘要

本文提出了一种基于代理模型的优化(SBO)方法,该方法采用自适应采样来设计微流控浓度梯度发生器(μCGG),以满足规定的浓度梯度(CG)。一种高效的基于物理的组件模型(PBCM)被用于生成数据,以构建基于克里金法的代理模型。在对比分析中,研究了克里金法中回归模型和相关模型的各种组合以及不同的自适应采样(填充)技术,以提高模型精度和优化效率。结果表明,一阶多项式回归和高斯相关模型共同构成了最精确的模型,并且下限(LB)填充策略通常允许进行最有效的全局最优搜索。最优设计生成的CG与规定的CG匹配得非常好,即使存在μCGG的固有局限性,差异也小于12%。还发现,带有自适应采样的SBO比基于随机采样的代理建模和优化能够实现更高效、准确的设计,并且在搜索全局最优解时比基于梯度的优化更稳健。

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