Orcun Yildiz, Krishnan Raghavan, Henry Chan, Mathew J. Cherukara, Prasanna Balaprakash, Subramanian Sankaranarayanan, Tom Peterka
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引用次数: 0
摘要
X 射线布拉格相干衍射成像是三维材料表征的一项强大技术。然而,获取 X 射线衍射数据既困难又耗费计算资源,因此需要对相干衍射图像进行自动处理,以最大限度地减少所需的 X 射线数据集数量。我们将相干衍射数据生成与深度神经网络缺陷分类器的训练和推理相结合,在工作流程中采用机器学习方法,从原始相干衍射数据中自动识别样品中的结晶线缺陷。特别是,我们采用了一种持续学习方法,即根据缺陷分类器的准确性在需要时生成训练数据,而不是事先生成所有训练数据。此外,我们还开发了一种新颖的数据生成机制,以提高缺陷识别效率,超越之前发布的持续学习方法。我们将改进后的方法称为智能持续学习。结果表明,与之前的方法相比,我们的方法提高了缺陷分类器的准确性,并减少了高达 98% 的训练数据需求。
Automated defect identification in coherent diffraction imaging with smart continual learning
X-ray Bragg coherent diffraction imaging is a powerful technique for 3D materials characterization. However, obtaining X-ray diffraction data is difficult and computationally intensive, motivating the need for automated processing of coherent diffraction images, with the goal of minimizing the number of X-ray datasets needed. We automate a machine learning approach to identify crystalline line defects in samples from the raw coherent diffraction data, in a workflow coupling coherent diffraction data generation with training and inference of deep neural network defect classifiers. In particular, we adopt a continual learning approach, where we generate training data as needed based on the accuracy of the defect classifier instead of generating all training data a priori. Moreover, we develop a novel data generation mechanism to improve the efficiency of defect identification beyond the previously published continual learning approach. We call the improved method smart continual learning. The results show that our approach improves the accuracy of defect classifiers and reduces training data requirements by up to 98% compared with prior approaches.