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arXiv 2007.05593cs.CVcs.LG
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自动化冷冻EM网格筛选的注意力引导质量评估

Attention-guided Quality Assessment for Automated Cryo-EM Grid Screening

Scientific Computing and Imaging Institute, School of Computing, University of Utah(犹他大学计算学院科学计算与成像研究所);Department Of Biochemistry, University of Utah(犹他大学生物化学系)

Hong Xu, David E. Timm, Shireen Y. Elhabian

摘要:

低温电子显微镜(cryo-EM)已成为药物发现和理解疾病的分子基础,通过产生生物大分子的近原子分辨率(小于0.4 nm)3D重建的一种使能技术。3D重建所需的成像过程涉及高度迭代和经验筛选过程,从采集低温EM网格的低放大率图像开始。检查这些图像中可能包含有用分子信号的方块。网格内潜在有用的正方形然后以逐渐更高的放大率成像,目的是识别圆孔内的亚微米区域(由正方形限定)以用于以高放大率成像。这种费力的多步骤数据采集过程代表了获得高吞吐量数据汇集的瓶颈。在这里,我们专注于自动化显微镜操作员的早期决策,评分低放大率的正方形图像,并提出了第一个深度学习框架,XCryoNet,用于自动冷冻EM网格筛选。XCryoNet是一种半监督的、注意力引导的深度学习方法,使用有限数量的标记数据为自动提取的方形图像提供可解释的评分。结果显示,当标记数据稀缺时,与完全监督和无注意解决方案相比,分别有8%和37%的改进。

英文摘要:

Cryogenic electron microscopy (cryo-EM) has become an enabling technology in drug discovery and in understanding molecular bases of disease by producing near-atomic resolution (less than 0.4 nm) 3D reconstructions of biological macromolecules. The imaging process required for 3D reconstructions involves a highly iterative and empirical screening process, starting with the acquisition of low magnification images of the cryo-EM grids. These images are inspected for squares that are likely to contain useful molecular signals. Potentially useful squares within the grid are then imaged at progressively higher magnifications, with the goal of identifying sub-micron areas within circular holes (bounded by the squares) for imaging at high magnification. This arduous, multi-step data acquisition process represents a bottleneck for obtaining a high throughput data collection. Here, we focus on automating the early decision making for the microscope operator, scoring low magnification images of squares, and proposing the first deep learning framework, XCryoNet, for automated cryo-EM grid screening. XCryoNet is a semi-supervised, attention-guided deep learning approach that provides explainable scoring of automatically extracted square images using limited amounts of labeled data. Results show up to 8% and 37% improvements over a fully supervised and a no-attention solution, respectively, when labeled data is scarce.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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