AI-assisted Human-in-the-Loop Web Platform for Structural Characterization in Hard drive design

Modern transmission electron microscopes are versatile instruments which have become indispensable tools for understanding structure and chemical composition at the nano- and atomic scale. In the physical sciences these instruments are still largely manually controlled, requiring significant operator expertise, limiting throughput, and precluding statistical analysis of large datasets. Recent technical advances in both hardware and in control software now allow for the interaction with almost every functionality of the microscope through a programming interface. This enables better experimental design and data collection automation while also reducing operator collection bias and required expertise. In this study, we present an automated data collection routine with machine-driven decision-making to enable the collection of hundreds of 4D-STEM nanobeam diffraction and ptychography data from a large distribution of size-selectively deposited Pt nanoparticles. We present a semi-automated data analysis workflow to extract pertinent information from the large volumes of collected data. For the nanobeam diffraction data, reducing each dataset to its azimuthal variance profile and combining automated crystal orientation mapping with per-particle morphology descriptors reveals the orientation, shape and phase distributions across the ensemble, including a weak {110} texture. For the ptychographic data, an automated screening pipeline identifies on-zone-axis particles and enables atomic-resolution phase imaging and lattice-strain mapping of individual grains. Together these demonstrate how automation turns instrument throughput into statistically meaningful, atomic-scale microstructural information.

Advanced semiconductor nodes drastically increased demand for Transmission Electron Microscopy (TEM), yet destructive sample preparation, slow imaging and high costs severely limit the availability of diverse datasets needed for downstream machine learning (ML). Synthetic data generation is becoming essential, but current generative models often miss TEM-specific noise, structural detail, and stochastic variability crucial for evaluation. We present a Denoising Diffusion Probabilistic Model (DDPM) framework for synthetic TEM image generation under extreme data scarcity. A progressive patch-based training strategy scales from low-resolution patches to full images, enabling from-scratch training with only 15 samples. We integrate a custom TrivialAugment adaptation, cross-process domain transfer, classifier guidance, and RePaint-style inpainting, culminating in full-image generation that preserves global structural and spatial relationships in compliance with FAB metrology requirements. Beyond synthesis, we repurpose DDPM feature representations for segmentation, partitioning encoder feature maps to obtain coherent region masks. Our synthetic images achieve up to MS-SSIM > 0.98 and qualitative expert assessment consistent with structural similarity results, facilitating downstream ML training for defect detection, segmentation, and metrology while preserving statistical and physical realism.

A central premise of autonomous scientific imaging is that smarter navigation, whether Bayesian, RL-based, or otherwise adaptive, is the principal lever for sample-efficient acquisition. We present evidence to the contrary in scanning transmission electron microscopy (STEM), an atomic-resolution imaging modality whose every measurement deposits damaging electron dose. We introduce STEMGym, an open-source Gymnasium benchmark of 15 physics-simulated STEM worlds spanning five materials, three difficulty levels, and four characterisation tasks, scored by the Dose-Efficiency Curve area (DEC-AUC), a single scalar capturing the information-vs-dose Pareto frontier. Across 33 agent configurations under realistic dose budgets, the dominant determinant of dose efficiency is the analyst (perception) pipeline, not the navigator: pairing a trained CNN analyst with naïve raster scanning raises DEC-AUC by 5.5x over a CNN-free raster baseline (0.287 vs.\ 0.052), while substituting Bayesian or adaptive finite-state-machine navigation for raster yields no statistically significant further gain. Production-tier vision-language models further underperform task-specific CNNs by {\sim}13x on crystallographic defect analysis. By decoupling perception, navigation, and planning under a unified dose budget, STEMGym reframes where ML effort should be invested in autonomous electron microscopy and provides the measurement infrastructure to test it.