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Synthetic data-driven deep learning for label-free autonomous atomic force microscopy

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Abstract

Atomic force microscopy (AFM) is a widely used tool for nanoscale characterization across materials science, energy research, and biology. However, its adoption in high-throughput materials discovery and statistically driven studies remains limited by a strong dependence on expert operator input and by the scarcity of annotated experimental AFM datasets needed to enable data-driven automation. Here, we introduce SimuScan, a synthetic-data–driven framework that enables reliable AFM feature identification, segmentation, and targeted imaging without requiring large manually labeled experimental datasets. SimuScan generates tunable, high-fidelity synthetic AFM images of defined morphologies while incorporating realistic experimental artifacts, including tip–sample convolution, noise, flattening distortions, and surface debris. These datasets are shown to support scalable, label-free training of modern deep learning models for AFM analysis. When integrated into data-driven AFM workflows, SimuScan-trained models can locate and analyze nanoscale structures across large datasets and guide targeted follow-up imaging. We validate this approach on nanostructured surfaces, DNA assemblies, and bacterial cells, demonstrating robust generalization across diverse sample types with minimal operator intervention. More broadly, this work establishes a general strategy for generating explicitly conditioned, task-relevant synthetic data to improve the reliability of downstream models in autonomous microscopy.

Original languageEnglish
Article number3886
JournalNature Communications
Volume17
Issue number1
DOIs
StatePublished - Dec 2026

Funding

This work was supported by the U.S. Department of Energy, Office of Science FWP ERKCZ64, Structure Guided Design of Materials to Optimize the Abiotic-Biotic Material Interface, as part of the the Biopreparedness Research Virtual Environment (BRaVE) initiative. AFM measurements, sample preparation, and image analysis were conducted as part of a user project at the Center for Nanophase Materials Sciences (CNMS), which is a US Department of Energy, Office of Science User Facility at Oak Ridge National Laboratory. We also acknowledge support from a UKRI Future Leaders Fellowship (MR/W00738X/1) and the Henry Royce Institute for Advanced Materials, funded through EPSRC grants EP/R00661X/1, EP/S019367/1, EP/P02470X/1 and EP/P025285/1 (A.L.B.P.). U.S. Department of Energy, Office of Science FWP ERKCZ64, Structure Guided Design of Materials to Optimize the Abiotic-Biotic Material Interface.

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