基于计算机视觉的自动化实验室结晶监测

Simon‐Johannes Burgdorf, T. Roddelkopf, A. Cooper, K. Thurow
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引用次数: 0

摘要

对新功能材料的研究已经进行了很多年。这些成功都是基于经典的试错法。在随后的几年里,计算机辅助计算和高通量筛选等各种方法被加入。自21世纪初以来,人工智能领域取得了巨大的进步,它已经进入了各种专业学科和日常生活。随着人工智能在新材料研究中的出现,有希望获得新的成果,节省时间和金钱。本文提出的方法用于监测结晶过程。结晶过程用于蒸发溶解在溶剂中的物质的新组成。蒸发产生晶体,然后用于进一步研究材料特性。然而,结晶过程非常耗时,并且高度依赖于溶液和环境参数。因此,这个过程的时间很难预测,而且非常漫长。因此,本文提出了一种结合计算机视觉和人工智能两个领域的方法,从而提供了监控结晶过程的可能性。重要的点,开始和结束点,被检测,并记录结晶过程随时间的过程。为此,使用了预训练的ResNet34网络,该网络通过迁移学习对晶体特征进行了训练,并使用了用于原位样品采集的视觉分析仪单元。有了这种精确的测量装置,可以监测结晶过程并随后实现自动化。这可以节省时间和金钱,并加快对新材料的研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Computer vision based crystallization monitoring in automated laboratories
Research into new functional materials has been ongoing on for many years. The successes are based on a classic trialand-error method. In the years that followed, various methods such as computer-aided calculations and high-throughput screening were added. Since the beginning of the 21st century, immense progress has been made in the field of artificial intelligence, which has since found its way into a wide variety of specialist disciplines and everyday life. With the advent of artificial intelligence in the research of new materials, there is hope for new results and savings in time and money. The approach presented here serves to monitor crystallization processes. Crystallization processes are used to evaporate new compositions of substances dissolved in a solvent. Evaporation produces crystals, which are then used for further investigations into the material properties. However, the crystallization process is very time-consuming and highly dependent on the solution and the environmental parameters. As a result, the timing of the process is difficult to predict and very lengthy. Therefore, this paper presents a method combines two areas, computer vision and artificial intelligence, and thus offers the possibility to monitor a crystallization process. The significant points, the start and end point, are detected, and the course of the crystallization process over time is also recorded. For this purpose, a pre-trained ResNet34 network is used, which has been trained on the characteristics of crystals through transfer learning, and a visual analyzer unit for in-situ sample acquisition. With this precise measurement setup, crystallization processes can be monitored and subsequently automated. This can save time and money and accelerate research into new materials.
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