arXiv:2505.13702cs.LGphysics.ins-det2025-05

用自编码器自动识别高能超快电子衍射中的异常图像。

Unsupervised anomaly detection in MeV ultrafast electron diffraction

  • 通过卷积自编码器计算衍射图重建误差,实现无监督检测。
  • 仅用100张图训练,测试1521张图,误报率0.2%~0.4%。
  • 适合处理因仪器不稳导致的大量异常衍射数据,如材料动态研究。

MeV超快电子衍射(MUED)是一种用于研究材料动态结构演化的泵浦-探测技术。超短激光脉冲触发结构变化,随后由超短相对论电子束进行探测。为克服信噪比低的问题,衍射图需对数千次曝光进行平均。然而,电子束的逐次不稳定性会扭曲单个图案,引入不确定性。提升MUED精度需从大数据集中检测并剔除异常图案。本文提出一种完全无监督的方法:利用卷积自编码器计算衍射图的重建均方误差,并基于该误差的统计分布,为用户估算每张图属于正常模式的概率,同时支持后续视觉检查难以分类的图像。该方法仅用100张图训练,测试1521张图,误报率在0.2%至0.4%之间,训练时间约每图10秒,测试时间约每图1秒。所提方法亦可推广至其他因仪器不稳定而产生异常图像的大数据衍射技术。

原文摘要 · Abstract (English)

MeV ultrafast electron diffraction (MUED) is a pump-probe technique used to study the dynamic structural evolution of materials. An ultrashort laser pulse triggers structural changes, which are then probed by an ultrashort relativistic electron beam. To overcome low signal-to-noise ratios, diffraction patterns are averaged over thousands of shots. However, shot-to-shot instabilities in the electron beam can distort individual patterns, introducing uncertainty. Improving MUED accuracy requires detecting and removing these anomalous patterns from large datasets. In this work, we developed a fully unsupervised methodology for the detection of anomalous diffraction patterns. Using a convolutional autoencoder, we calculate the reconstruction mean squared error of the diffraction patterns. Based on the statistical analysis of this error, we provide the user an estimation of the probability that the pattern is normal, which also allows a posterior visual inspection of the images that are difficult to classify. This method has been trained with only 100 diffraction patterns and tested on 1521 patterns, resulting in a false positive rate between 0.2\% and 0.4\%, with a training time of 10 seconds per image and a test time of about 1 second per image. The proposed methodology can also be applied to other diffraction techniques in which large datasets are collected that include faulty images due to instrumental instabilities.

异常检测电子衍射无监督学习材料科学

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