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Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for…

Chemical Physics · Physics 2021-03-16 Michael Gastegger , Jörg Behler , Philipp Marquetand

Image reconstruction under multiple light scattering is crucial in a number of applications such as diffraction tomography. The reconstruction problem is often formulated as a nonconvex optimization, where a nonlinear measurement model is…

Computer Vision and Pattern Recognition · Computer Science 2018-07-04 Yu Sun , Zhihao Xia , Ulugbek S. Kamilov

The Laue diffraction microscopy experiment uses the polychromatic Laue micro-diffraction technique to examine the structure of materials with sub-micron spatial resolution in all three dimensions. During this experiment, local…

Data Analysis, Statistics and Probability · Physics 2022-02-01 Ke Yue , Schwarz Nicholas , Tischler Jonathan Z

It has been argued that in atomic-resolution transmission electron microscopy (TEM) of sparse weakly scattering structures, such as small biological molecules, multiple electron scattering usually has only a small effect, while the…

Optics · Physics 2021-11-16 T. E. Gureyev , H. M. Quiney , A. Kozlov , D. M. Paganin , G. Schmalz , L. J. Allen

In general-purpose particle detectors, the particle-flow algorithm may be used to reconstruct a comprehensive particle-level view of the event by combining information from the calorimeters and the trackers, significantly improving the…

Data Analysis, Statistics and Probability · Physics 2021-06-10 Joosep Pata , Javier Duarte , Jean-Roch Vlimant , Maurizio Pierini , Maria Spiropulu

Detecting structures at the particle scale within plastically deformed crystalline materials allows a better understanding of the occurring phenomena. While previous approaches mostly relied on applying hand-chosen criteria on different…

Materials Science · Physics 2024-05-15 Armand Barbot , Riccardo Gatti

A unified method for three-dimensional reconstruction of objects from transmission images collected at multiple illumination directions is described. The method may be applicable to experimental conditions relevant to absorption-based,…

Medical Physics · Physics 2022-12-07 Timur E. Gureyev , Hamish G. Brown , Harry M. Quiney , Leslie J. Allen

A myriad of phenomena in materials science and chemistry rely on quantum-level simulations of the electronic structure in matter. While moving to larger length and time scales has been a pressing issue for decades, such large-scale…

Reflection high-energy electron diffraction (RHEED) is a powerful tool for characterizing crystal surface structures. However, the setup geometry leads to distorted and complicated patterns, which are not straightforward to link to the…

Materials Science · Physics 2022-08-25 Chong Liu , Kai Chang , Ke Zou

Superconducting photoelectron injectors are a promising technique for generating high brilliant pulsed electron beams with high repetition rates and low emittances. Experiments such as ultra-fast electron diffraction, experiments at the…

Accelerator Physics · Physics 2025-03-19 David Meier , Luis Vera Ramirez , Jens Völker , Bernhard Sick , Jens Viefhaus , Gregor Hartmann

In Bragg Coherent Diffraction Imaging (BCDI), Phase Retrieval of highly strained crystals is often challenging with standard iterative algorithms. This computational obstacle limits the potential of the technique as it precludes the…

Reconstruction of PET images is an ill-posed inverse problem and often requires iterative algorithms to achieve good image quality for reliable clinical use in practice, at huge computational costs. In this paper, we consider the PET…

Computer Vision and Pattern Recognition · Computer Science 2017-04-25 Jieqing Jiao , Sebastien Ourselin

Having access to the parton-level kinematics is important for understanding the internal dynamics of particle collisions. Here, we present new results aiming to an efficient reconstruction of parton collisions using machine-learning…

High Energy Physics - Phenomenology · Physics 2022-10-10 German F. R. Sborlini , David F. Rentería-Estrada , Roger J. Hernández-Pinto , Pia Zurita

Efficient and accurate joint representation of a collection of images, that belong to the same class, is a major research challenge for practical image set classification. Existing methods either make prior assumptions about the data…

Computer Vision and Pattern Recognition · Computer Science 2015-04-02 Muhammad Uzair , Faisal Shafait , Bernard Ghanem , Ajmal Mian

Machine learning promises to deliver powerful new approaches to neutron scattering from magnetic materials. Large scale simulations provide the means to realise this with approaches including spin-wave, Landau Lifshitz, and Monte Carlo…

Computational Physics · Physics 2020-11-12 Anjana M. Samarakoon , D. Alan Tennant

Scanning X-ray nanodiffraction microscopy is a powerful technique for spatially resolving nanoscale structural morphologies by diffraction contrast. One of the critical challenges in experimental nanodiffraction data analysis is posed by…

Applied Physics · Physics 2024-06-26 Aileen Luo , Tao Zhou , Martin V. Holt , Andrej Singer , Mathew J. Cherukara

The task of reassembly is a significant challenge across multiple domains, including archaeology, genomics, and molecular docking, requiring the precise placement and orientation of elements to reconstruct an original structure. In this…

Computer Vision and Pattern Recognition · Computer Science 2025-11-20 Adeela Islam , Stefano Fiorini , Stuart James , Pietro Morerio , Alessio Del Bue

Curvilinear structures, which include line-like continuous objects, are fundamental geometrical elements in image-based applications. Reconstructing these structures from images constitutes a pivotal research area in computer vision.…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Chao Liu , Ting Zhao , Nenggan Zheng

Four-dimensional scanning transmission electron microscopy (4D-STEM) is one of the most rapidly growing modes of electron microscopy imaging. The advent of fast pixelated cameras and the associated data infrastructure have greatly…

Applications · Statistics 2019-08-27 Xin Li , Ondrej Dyck , Stephen Jesse , Andrew R. Lupini , Sergei V. Kalinin , Mark P. Oxley

The short and intense pulses of the new X-ray free electron lasers, now operational or under construction, may make possible diffraction experiments on single molecule-sized objects with high resolution, before radiation damage destroys the…

Data Analysis, Statistics and Probability · Physics 2012-04-11 Miklós Tegze , Gábor Bortel
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