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利用深度卷积神经网络学习液晶的物理性质。

Learning physical properties of liquid crystals with deep convolutional neural networks.

机构信息

Departamento de Física, Universidade Estadual de Maringá, Maringá, PR, 87020-900, Brazil.

Departamento de Física, Universidade Estadual de Ponta Grossa, Ponta Grossa, PR, 84030-900, Brazil.

出版信息

Sci Rep. 2020 May 6;10(1):7664. doi: 10.1038/s41598-020-63662-9.

Abstract

Machine learning algorithms have been available since the 1990s, but it is much more recently that they have come into use also in the physical sciences. While these algorithms have already proven to be useful in uncovering new properties of materials and in simplifying experimental protocols, their usage in liquid crystals research is still limited. This is surprising because optical imaging techniques are often applied in this line of research, and it is precisely with images that machine learning algorithms have achieved major breakthroughs in recent years. Here we use convolutional neural networks to probe several properties of liquid crystals directly from their optical images and without using manual feature engineering. By optimizing simple architectures, we find that convolutional neural networks can predict physical properties of liquid crystals with exceptional accuracy. We show that these deep neural networks identify liquid crystal phases and predict the order parameter of simulated nematic liquid crystals almost perfectly. We also show that convolutional neural networks identify the pitch length of simulated samples of cholesteric liquid crystals and the sample temperature of an experimental liquid crystal with very high precision.

摘要

机器学习算法自 20 世纪 90 年代以来就已经存在,但直到最近,它们才开始在物理科学中得到应用。虽然这些算法已经被证明在揭示材料的新性质和简化实验方案方面非常有用,但它们在液晶研究中的应用仍然有限。这令人惊讶,因为光学成像技术在这一研究领域经常被应用,而正是通过图像,机器学习算法在近年来取得了重大突破。在这里,我们使用卷积神经网络直接从光学图像中探测液晶的几种性质,而无需使用手动特征工程。通过优化简单的架构,我们发现卷积神经网络可以以极高的精度预测液晶的物理性质。我们表明,这些深度神经网络可以识别液晶相,并几乎完美地预测模拟向列液晶的序参量。我们还表明,卷积神经网络可以非常精确地识别模拟胆甾相液晶样品的螺距长度和实验液晶样品的温度。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bda7/7203147/4e3368e37e72/41598_2020_63662_Fig1_HTML.jpg

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