Eppel Sagi, Xu Haoping, Bismuth Mor, Aspuru-Guzik Alan
Department of Chemistry, University of Toronto, Toronto, Ontario M5G 1Z8, Canada.
Department of Computer Science, University of Toronto, Toronto, Ontario M5G 1Z8, Canada.
ACS Cent Sci. 2020 Oct 28;6(10):1743-1752. doi: 10.1021/acscentsci.0c00460. Epub 2020 Sep 10.
This work presents a machine learning approach for the computer vision-based recognition of materials inside vessels in the chemistry lab and other settings. In addition, we release a data set associated with the training of the model for further model development. The task to learn is finding the region, boundaries, and category for each material phase and vessel in an image. Handling materials inside mostly transparent containers is the main activity performed by human and robotic chemists in the laboratory. Visual recognition of vessels and their contents is essential for performing this task. Modern machine-vision methods learn recognition tasks by using data sets containing a large number of annotated images. This work presents the Vector-LabPics data set, which consists of 2187 images of materials within mostly transparent vessels in a chemistry lab and other general settings. The images are annotated for both the vessels and the individual material phases inside them, and each instance is assigned one or more classes (liquid, solid, foam, suspension, powder, ...). The fill level, labels, corks, and parts of the vessel are also annotated. Several convolutional nets for semantic and instance segmentation were trained on this data set. The trained neural networks achieved good accuracy in detecting and segmenting vessels and material phases, and in classifying liquids and solids, but relatively low accuracy in segmenting multiphase systems such as phase-separating liquids.
这项工作提出了一种机器学习方法,用于在化学实验室及其他场景中基于计算机视觉识别容器内的材料。此外,我们发布了一个与模型训练相关的数据集,以促进模型的进一步开发。要学习的任务是在图像中找到每个材料相和容器的区域、边界及类别。处理大多为透明容器内的材料是实验室中的人类化学家和机器人化学家的主要工作。对容器及其内容物进行视觉识别对于完成这项任务至关重要。现代机器视觉方法通过使用包含大量带注释图像的数据集来学习识别任务。这项工作展示了Vector-LabPics数据集,该数据集由化学实验室及其他一般场景中大多为透明容器内材料的2187张图像组成。这些图像针对容器及其内部的各个材料相都进行了注释,并且每个实例都被分配了一个或多个类别(液体、固体、泡沫、悬浮液、粉末等)。容器的填充水平、标签、软木塞及部件也都进行了注释。在这个数据集上训练了几个用于语义和实例分割的卷积网络。训练后的神经网络在检测和分割容器及材料相、对液体和固体进行分类方面取得了良好的准确率,但在分割诸如相分离液体等多相系统方面准确率相对较低。