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X-ray ptychography is a powerful and robust coherent imaging method providing access to the complex object and probe (illumination). Ptychography reconstruction is typically performed using first-order methods due to their computational…

Optics · Physics 2025-04-07 Marcus Carlsson , Herwig Wendt , Peter Cloetens , Viktor Nikitin

Ptychography, a special case of the phase retrieval problem, is a popular method in modern imaging. Its measurements are based on the shifts of a locally supported window function. In general, direct recovery of an object from such…

Numerical Analysis · Mathematics 2020-10-28 Anton Forstner , Felix Krahmer , Oleh Melnyk , Nada Sissouno

Recovering high-resolution structural and compositional information from coherent X-ray measurements involves solving coupled, nonlinear, and ill-posed inverse problems. Ptychography reconstructs a complex transmission function from…

Numerical Analysis · Mathematics 2026-05-13 Chengru Eric Zou , Elle Buser , Zichao Wendy Di , Yuanzhe Xi

This paper introduces a novel CUDA-enabled PyTorch-based framework designed for the gradient-based optimization of such reconfigurable electromagnetic structures with electrically tunable parameters. Traditional optimization techniques for…

Computational Physics · Physics 2025-11-25 Johannes Müller , Dennis Philipp , Matthias Günther

Medical image synthesis has become an essential strategy for augmenting datasets and improving model generalization in data-scarce clinical settings. However, fine-grained and controllable synthesis remains difficult due to limited…

Image and Video Processing · Electrical Eng. & Systems 2025-09-09 Shuhan Ding , Jingjing Fu , Yu Gu , Naiteek Sangani , Mu Wei , Paul Vozila , Nan Liu , Jiang Bian , Hoifung Poon

Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…

Materials Science · Physics 2024-07-09 Stefano Racioppi , Alberto Otero De la Roza , Samad Hajinazar , Eva Zurek

X-ray diffraction (XRD) is an essential technique to determine a material's crystal structure in high-throughput experimentation, and has recently been incorporated in artificially intelligent agents in autonomous scientific discovery…

This paper presents Automatic Algorithm Discoverer (AAD), an evolutionary framework for synthesizing programs of high complexity. To guide evolution, prior evolutionary algorithms have depended on fitness (objective) functions, which are…

Neural and Evolutionary Computing · Computer Science 2019-04-08 Ruchira Sasanka , Konstantinos Krommydas

Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density…

Materials Science · Physics 2026-01-19 R. J. Morelock , S. Bagchi , E. L. Briggs , W. Lu , J. Bernholc , P. Ganesh

Ligands entering a protein binding pocket essentially compete with water molecules for binding to the protein. Hence, the location and thermodynamic properties of water molecules in protein structures have gained increased attention in the…

Biomolecules · Quantitative Biology 2019-08-28 David Schaller , Szymon Pach , Gerhard Wolber

Computed tomography has propelled scientific advances in fields from biology to materials science. This technology allows for the elucidation of 3-dimensional internal structure by the attenuation of x-rays through an object at different…

Computer Vision and Pattern Recognition · Computer Science 2022-11-02 Rey Mendoza , Minh Nguyen , Judith Weng Zhu , Vincent Dumont , Talita Perciano , Juliane Mueller , Vidya Ganapati

Modern technology for producing extremely bright and coherent X-ray laser pulses provides the possibility to acquire a large number of diffraction patterns from individual biological nanoparticles, including proteins, viruses, and DNA.…

Methodology · Statistics 2018-07-11 Stefan Engblom , Carl Nettelblad , Jing Liu

The advent of advanced crystallographic techniques has shifted structural biology from static, single-conformer models toward probing protein dynamics. Extracting cooperative motions from temporally and spatially averaged electron density…

Quantitative Methods · Quantitative Biology 2025-09-08 Avinash Mandaiya , Veit Elser

Reconstructing 2D freehand Ultrasound (US) frames into 3D space without using a tracker has recently seen advances with deep learning. Predicting good frame-to-frame rigid transformations is often accepted as the learning objective,…

Image and Video Processing · Electrical Eng. & Systems 2024-10-22 Qi Li , Ziyi Shen , Qianye Yang , Dean C. Barratt , Matthew J. Clarkson , Tom Vercauteren , Yipeng Hu

Phase retrieval, a nonlinear problem prevalent in imaging applications, has been extensively studied using random models, some of which with i.i.d. sensing matrix components. While these models offer robust reconstruction guarantees, they…

Optics · Physics 2024-09-10 Zhiyuan Hu , Julián Tachella , Michael Unser , Jonathan Dong

Fourier ptychographic microscopy allows for the collection of images with a high space-bandwidth product at the cost of temporal resolution. In Fourier ptychographic microscopy, the light source of a conventional widefield microscope is…

Image and Video Processing · Electrical Eng. & Systems 2019-01-30 Yi Fei Cheng , Megan Strachan , Zachary Weiss , Moniher Deb , Dawn Carone , Vidya Ganapati

We propose a novel approach for 3D mesh reconstruction from multi-view images. Our method takes inspiration from large reconstruction models like LRM that use a transformer-based triplane generator and a Neural Radiance Field (NeRF) model…

Computer Vision and Pattern Recognition · Computer Science 2025-08-08 Peiye Zhuang , Songfang Han , Chaoyang Wang , Aliaksandr Siarohin , Jiaxu Zou , Michael Vasilkovsky , Vladislav Shakhrai , Sergey Korolev , Sergey Tulyakov , Hsin-Ying Lee

We provide a suite of public open-source spectral data-reduction software to rapidly obtain scientific products from all forms of long-slit-like spectroscopic observations. Automated SpectroPhotometric REDuction (ASPIRED) is a Python-based…

Instrumentation and Methods for Astrophysics · Physics 2023-06-16 Marco C. Lam , Robert J. Smith , Iair Arcavi , Iain A. Steele , Josh Veitch-Michaelis , Lukasz Wyrzykowski

Recovering textured 3D models of non-rigid human body shapes is challenging due to self-occlusions caused by complex body poses and shapes, clothing obstructions, lack of surface texture, background clutter, sparse set of cameras with…

Computer Vision and Pattern Recognition · Computer Science 2018-09-19 Abbhinav Venkat , Sai Sagar Jinka , Avinash Sharma

Synthetic PET images are valuable for quantitative imaging workflow development, scalable virtual imaging trials, and deep learning model training, but conventional physics-based simulation approaches are computationally intensive, limited…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Suya Li , Kaushik Dutta , Debojyoti Pal , Jingqin Luo , Kooresh I. Shoghi