arXiv:2506.01678cond-mat.mtrl-scics.AI2025-06

用少量标注数据实现原子级扫描隧穿显微图像的自动分割

Overcoming Labelled Data Scarcity for Defect Classification in Scanning Tunneling Microscopy

  • 结合少样本与无监督学习,减少对大规模标注数据依赖
  • 仅需1个额外标注点即可适配新表面,保持高精度
  • 适用于硅、锗、二氧化钛等多类材料,适合材料科学自动化分析

扫描隧道显微镜(STM)能以原子分辨率成像表面,揭示单原子和分子层面的物理化学过程。常规分析任务是识别并标记背景中的特征,但手动标注耗时费力。为减轻负担,我们提出一种融合少样本学习与无监督学习的自动化图像分割方法。相比传统监督方法,该技术无需大量人工标注数据,更易适应未见表面,同时保持高准确率。我们在三种不同表面(Si(001)、Ge(001)、TiO₂(110))上验证了其有效性,包括硅和锗表面吸附的AsH₃分子。模型展现出强泛化能力,初始训练后,仅需一个额外标注样本即可适配新表面。本工作是迈向高效、材料无关的自动STM图像分割的重要一步。

原文摘要 · Abstract (English)

Scanning tunnelling microscopy (STM) is a powerful technique for imaging surfaces with atomic resolution, providing insight into physical and chemical processes at the level of single atoms and molecules. A regular task of STM image analysis is the identification and labelling of features of interest against a uniform background. Performing this manually is a labour-intensive task, requiring significant human effort. To reduce this burden, we propose an automated approach to the segmentation of STM images that uses both few-shot learning and unsupervised learning. Our technique offers greater flexibility compared to previous supervised methods; it removes the requirement for large manually annotated datasets and is thus easier to adapt to an unseen surface while still maintaining a high accuracy. We demonstrate the effectiveness of our approach by using it to recognise atomic features on three distinct surfaces: Si(001), Ge(001), and TiO$_2$(110), including adsorbed AsH$_3$ molecules on the silicon and germanium surfaces. Our model exhibits strong generalisation capabilities, and following initial training, can be adapted to unseen surfaces with as few as one additional labelled data point. This work is a significant step towards efficient and material-agnostic, automatic segmentation of STM images.

STM图像分析少样本学习无监督学习材料科学

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