Real-Time Atomic-Resolution Electron Phase Imaging without Probe Calibration via Ptychography-Supervised Learning
Authors: H. Yue, C. -C. Chen, C. -N. Hsiao, J. Cheng, Y. Liu, X. Z. Liao, Steve F. Shu
Organizations: College of Intelligent Robotics and Advanced Manufacturing, Fudan University, Shanghai 200433, China. · Department of Engineering and System Science, National Tsing Hua University, Hsinchu 300044, Taiwan · National Center for Instrumentation Research, National Institutes of Applied Research, Hsinchu 300092, Taiwan · Institute for Infocomm Research, A*STAR, Singapore, 138632, Singapore · School of Aerospace, Mechanical and Mechatronic Engineering, and Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, NSW 2006, Australia. · School of Electrical and Computer Engineering, The University of Sydney, Sydney, NSW 2006, Australia
Atomic-scale phase imaging is central to resolving defects, interfaces, and weakly scattering atoms that govern the behavior of nanoscale materials. Electron ptychography delivers sub-ångström phase sensitivity but remains an offline technique, because its iterative reconstruction is computationally expensive and sensitive to experimental calibration, preventing live use during data acquisition. Here, a ptychography-supervised local inference framework is presented that converts four-dimensional scanning transmission electron microscopy (4D-STEM) into an acquisition-compatible phase-imaging workflow. Physics-constrained reference phase maps reconstructed from a single experimental AuPd dataset serve as teacher labels for a compact model that predicts local phase patches directly from diffraction measurements, without explicit probe input or online iterative optimization. Full-field images are assembled by deterministic overlap stitching. The workflow reaches an online latency of about 0.27 ms per probe position and a throughput of about 20,000 positions per second, an approximately 1,000-fold speed-up over GPU-accelerated ePIE, while preserving atomic-scale lattice contrast and reciprocal-space fidelity. Without fine-tuning, the same model transfers across materials (WS2), defocus conditions (high-entropy alloy nanoparticles), and instruments (hBN at 300 kV). The approach amortizes ptychographic redundancy into a fast, generalizable workflow that enables real-time atomic-scale phase imaging for materials microscopy.
Ptychographic phase reconstruction is commonly formulated as an iterative inverse problem, requiring repeated object-probe updates and resulting in substantial computational cost for large-scale 4D-STEM data. We present a direct local-to-global learning framework that reconstructs full-field phase maps from diffraction measurements without iterative refinement during inference. The proposed network predicts local wrapped-phase patches from individual diffraction patterns using a sine-cosine representation, and the predictions are assembled into a full-field reconstruction using calibrated scan positions and Gaussian-weighted stitching. To evaluate generalization beyond the training domain, the model is trained on one material and directly applied to another in a zero-shot setting without target-domain fine-tuning. Experiments on AuPd and MoS2 demonstrate consistent cross-material transfer in both directions, with the proposed method achieving the best full-field MSE, PSNR, and MS-SSIM among the evaluated learning-based methods. Compared with the iterative ePIE approach, the proposed direct local-to-global pipeline reduces end-to-end reconstruction time by approximately 10x, demonstrating its potential for efficient and transferable ptychographic reconstruction.
Wen-Chun Lin, Yu-Chee Tseng, Jen-Jee Chen +1
Institute of Computational Intelligence, College of Artificial Intelligence, National Yang Ming Chiao Tung University, Taiwan · National Center for High-performance Computing, National Institutes of Applied Research, Taiwan
Ptychographic imaging at synchrotron and X-ray free-electron laser sources requires densely overlapping scans, which limits throughput and increases dose; extending coherent diffractive imaging to overlap-free operation on extended samples remains an open problem. We present a self-supervised inverse-mapping network for single-frame Fresnel coherent diffraction imaging (CDI) and overlapped ptychography with fixed, pre-estimated probes. The learned neural network reconstructs individual object patches from either one diffraction frame or several overlapping measurements at a time. In single-frame mode, the phase diversity provided by the curved-wavefront probe at the off-focus sample position removes the requirement for overlap constraints, enabling sparser scans and proportionally lower dose at fixed exposure. On synthetic line patterns, reconstructed amplitude SSIM exceeds 0.90 in single-frame mode with the curved probe and reaches 0.952-0.968 with overlap constraints. Optimization of the network via a Poisson negative log likelihood objective, rather than the more common mean absolute error, yields 10-fold improved photon-dose efficiency at doses below 105 photons per image, where shot noise typically limits resolution. In addition to these synthetic studies, we demonstrate robust single-frame reconstruction of extended samples using ptychographic datasets from APS and LCLS, with end-to-end reconstruction of a 10,304-frame workload approximately 36× faster than a highly optimized iterative solver. Together, these results unify single-frame Fresnel CDI and overlapped ptychography within one self-supervised framework, supporting dose-efficient, high-throughput imaging at modern light sources.
Oliver Hoidn, Steven Henke, Albert Vong +3
SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA · Argonne National Laboratory, Lemont, Illinois 60439, USA
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.