Steven Henke

Anakha V Babu, Tao Zhou, Saugat Kandel et al.

Coherent microscopy techniques provide an unparalleled multi-scale view of materials across scientific and technological fields, from structural materials to quantum devices, from integrated circuits to biological cells. Driven by the construction of brighter sources and high-rate detectors, coherent X-ray microscopy methods like ptychography are poised to revolutionize nanoscale materials characterization. However, associated significant increases in data and compute needs mean that conventional approaches no longer suffice for recovering sample images in real-time from high-speed coherent imaging experiments. Here, we demonstrate a workflow that leverages artificial intelligence at the edge and high-performance computing to enable real-time inversion on X-ray ptychography data streamed directly from a detector at up to 2 kHz. The proposed AI-enabled workflow eliminates the sampling constraints imposed by traditional ptychography, allowing low dose imaging using orders of magnitude less data than required by traditional methods.

Anakha V Babu, Tekin Bicer, Saugat Kandel et al.

We present an end-to-end automated workflow that uses large-scale remote compute resources and an embedded GPU platform at the edge to enable AI/ML-accelerated real-time analysis of data collected for x-ray ptychography. Ptychography is a lensless method that is being used to image samples through a simultaneous numerical inversion of a large number of diffraction patterns from adjacent overlapping scan positions. This acquisition method can enable nanoscale imaging with x-rays and electrons, but this often requires very large experimental datasets and commensurately high turnaround times, which can limit experimental capabilities such as real-time experimental steering and low-latency monitoring. In this work, we introduce a software system that can automate ptychography data analysis tasks. We accelerate the data analysis pipeline by using a modified version of PtychoNN -- an ML-based approach to solve phase retrieval problem that shows two orders of magnitude speedup compared to traditional iterative methods. Further, our system coordinates and overlaps different data analysis tasks to minimize synchronization overhead between different stages of the workflow. We evaluate our workflow system with real-world experimental workloads from the 26ID beamline at Advanced Photon Source and ThetaGPU cluster at Argonne Leadership Computing Resources.

Oliver Hoidn, Aashwin Mishra, Steven Henke et al.

Ptychographic imaging at synchrotron and XFEL sources requires dense overlapping scans, limiting throughput and increasing dose. Extending coherent diffractive imaging to overlap-free operation on extended samples remains an open problem. Here, we extend PtychoPINN (O. Hoidn \emph{et al.}, \emph{Scientific Reports} \textbf{13}, 22789, 2023) to deliver \emph{overlap-free, single-shot} reconstructions in a Fresnel coherent diffraction imaging (CDI) geometry while also accelerating conventional multi-shot ptychography. The framework couples a differentiable forward model of coherent scattering with a Poisson photon-counting likelihood; real-space overlap enters as a tunable parameter via coordinate-based grouping rather than a hard requirement. On synthetic benchmarks, reconstructions remain accurate at low counts ($\sim\!10^4$ photons/frame), and overlap-free single-shot reconstruction with an experimental probe reaches amplitude structural similarity (SSIM) 0.904, compared with 0.968 for overlap-constrained reconstruction. Against a data-saturated supervised model with the same backbone (16,384 training images), PtychoPINN achieves higher SSIM with only 1,024 images and generalizes to unseen illumination profiles. Per-graphics processing unit (GPU) throughput is approximately $40\times$ that of least-squares maximum-likelihood (LSQ-ML) reconstruction at matched $128\times128$ resolution. These results, validated on experimental data from the Advanced Photon Source and the Linac Coherent Light Source, unify single-exposure Fresnel CDI and overlapped ptychography within one framework, supporting dose-efficient, high-throughput imaging at modern light sources.

Albert Vong, Steven Henke, Oliver Hoidn et al.

X-ray ptychography is a data-intensive imaging technique expected to become ubiquitous at next-generation light sources delivering many-fold increases in coherent flux. The need for real-time feedback under accelerated acquisition rates motivates surrogate reconstruction models like deep neural networks, which offer orders-of-magnitude speedup over conventional methods. However, existing deep learning approaches lack robustness across diverse experimental conditions. We propose an unsupervised training workflow emphasizing probe learning by combining experimentally-measured probes with synthetic, procedurally generated objects. This probe-centric approach enables a single physics-informed neural network to reconstruct unseen experiments across multiple beamlines; among the first demonstrations of multi-probe generalization. We find probe learning is equally important as in-distribution learning; models trained using this synthetic workflow achieve reconstruction fidelity comparable to those trained exclusively on experimental data, even when changing the type of synthetic training object. The proposed approach enables training of experiment-steering models that provide real-time feedback under dynamic experimental conditions.