Machine Learning Enhanced Computational Reverse Engineering Analysis for Scattering Experiments (CREASE) to Determine Structures in Amphiphilic Polymer Solutions

利用机器学习增强的散射实验计算逆向工程分析(CREASE)确定两亲性聚合物溶液中的结构

阅读:1

Abstract

In this article, we present a machine learning enhancement for our recently developed "Computational Reverse Engineering Analysis for Scattering Experiments" (CREASE) method to accelerate analysis of results from small angle scattering (SAS) experiments on polymer materials. We demonstrate this novel artificial neural network (NN) enhanced CREASE approach for analyzing scattering results from amphiphilic polymer solutions that can be easily extended and applied for scattering experiments on other polymer and soft matter systems. We had originally developed CREASE to analyze SAS results [i.e., intensity profiles, I(q) vs q] of amphiphilic polymer solutions exhibiting unconventional assembled structures and/or novel polymer chemistries for which traditional fits using off-the-shelf analytical models would be too approximate/inapplicable. In this paper, we demonstrate that the NN-enhancement to the genetic algorithm (GA) step in the CREASE approach improves the speed and, in some cases, the accuracy of the GA step in determining the dimensions of the complex assembled structures for a given experimental scattering profile.

特别声明

1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。

2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。

3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。

4、投稿及合作请联系:info@biocloudy.com。