论文标题

学习具有深卷积神经网络的液晶的物理特性

Learning physical properties of liquid crystals with deep convolutional neural networks

论文作者

Sigaki, Higor Y. D., Lenzi, Ervin K., Zola, Rafael S., Perc, Matjaz, Ribeiro, Haroldo V.

论文摘要

自1990年代以来,机器学习算法就已经可用,但是最近它们也在物理科学中也使用了。尽管这些算法已经被证明可用于发现材料的新特性和简化实验方案,但它们在液晶研究中的使用仍然受到限制。这是令人惊讶的,因为光学成像技术经常在这一研究中应用,并且正是通过图像,机器学习算法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其光学图像中探测液晶的几种特性,而无需使用手动功能工程。通过优化简单的体系结构,我们发现卷积神经网络可以具有出色的精度预测液晶的物理特性。我们表明,这些深度神经网络鉴定了液晶相,并几乎完美地预测了模拟的列液晶的顺序参数。我们还表明,卷积神经网络确定了胆固醇液体晶体的模拟样品的音调长度以及具有很高精度的实验液晶的样品温度。

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.

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