论文标题
使用自我监督的对比投影学习在单粒子衍射图像中找到语义相似性
Finding the semantic similarity in single-particle diffraction images using self-supervised contrastive projection learning
论文作者
论文摘要
近年来,分离的纳米化颗粒的单发衍射成像取得了显着的成功,并以超高的空间和时间分辨率进行了原位测量。激烈的X射线脉冲的高重复率源的进度进一步启用了包含数百万衍射图像的数据集,这是对具有更大结构变化和动态实验的样品的结构确定所需的。但是,数据集的大小代表了它们分析的巨大问题。在这里,我们提出了一种自动化的方法,可以在不依赖人类专家标签的情况下找到连贯的衍射图像中的语义相似性。通过介绍投影学习的概念,我们将自我监督的对比学习扩展到连贯的衍射成像的背景。结果,我们实现了降低语义维度,从而产生有意义的嵌入,与经验丰富的人类研究人员的身体直觉保持一致。与以前的方法相比,该方法可以实现重大改进,这为对X射线自由电子激光器的相干衍射实验的实时和大规模分析铺平了道路。
Single-shot diffraction imaging of isolated nanosized particles has seen remarkable success in recent years, yielding in-situ measurements with ultra-high spatial and temporal resolution. The progress of high-repetition-rate sources for intense X-ray pulses has further enabled recording datasets containing millions of diffraction images, which are needed for structure determination of specimens with greater structural variety and for dynamic experiments. The size of the datasets, however, represents a monumental problem for their analysis. Here, we present an automatized approach for finding semantic similarities in coherent diffraction images without relying on human expert labeling. By introducing the concept of projection learning, we extend self-supervised contrastive learning to the context of coherent diffraction imaging. As a result, we achieve a semantic dimensionality reduction producing meaningful embeddings that align with the physical intuition of an experienced human researcher. The method yields a substantial improvement compared to previous approaches, paving the way toward real-time and large-scale analysis of coherent diffraction experiments at X-ray free-electron lasers.