Embedding Human Heuristics in Machine-Learning-Enabled Probe Microscopy

Scanning probe microscopists generally do not rely on complete images to assess the quality of data acquired during a scan. Instead, assessments of the state of the tip apex, which not only determines the resolution in any scanning probe technique but can also generate a wide array of frustrating artefacts, are carried out in real time on the basis of a few lines of an image (and, typically, their associated line profiles.) The very small number of machine learning approaches to probe microscopy published to date, however, involve classifications based on full images. Given that data acquisition is the most time-consuming task during routine tip conditioning, automated methods are thus currently extremely slow in comparison to the tried-and-trusted strategies and heuristics used routinely by probe microscopists. Here, we explore various strategies by which different STM image classes (arising from changes in the tip state) can be correctly identified from partial scans. By employing a secondary temporal network and a rolling window of a small group of individual scanlines, we find that tip assessment is possible with a small fraction of a complete image. We achieve this with little-to-no performance penalty -- or, indeed, markedly improved performance in some cases -- and introduce a protocol to detect the state of the tip apex in real time.

Scanning Probe State Recognition With Multi-Class Neural Network Ensembles

One of the largest obstacles facing scanning probe microscopy is the constant need to correct flaws in the scanning probe in situ. This is currently a manual, time-consuming process that would benefit greatly from automation. Here we introduce a convolutional neural network protocol that enables automated recognition of a variety of desirable and undesirable scanning probe tip states on both metal and non-metal surfaces. By combining the best performing models into majority voting ensembles, we find that the desirable states of H:Si(100) can be distinguished with a mean precision of 0.89 and an average receiver-operator-characteristic curve area of 0.95. More generally, high and low-quality tips can be distinguished with a mean precision of 0.96 and near perfect area-under-curve of 0.98. With trivial modifications, we also successfully automatically identify undesirable, non-surface-specific states on surfaces of Au(111) and Cu(111). In these cases we find mean precisions of 0.95 and 0.75 and area-under-curves of 0.98 and 0.94, respectively.