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X-ray Photoelectron Spectroscopy (XPS) is a crucial technique for material surface analysis, yet interpreting its spectra is often challenging for both human analysts and automated methods due to the prevalence of variable spectral shifts…

Materials Science · Physics 2026-03-06 Issa Saddiq , Yuxin Fan , Robert G. Palgrave , Mark A. Isaacs , David Morgan , Keith T. Butler

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

We propose a versatile software package in the form of a Python extension, named CDEF (Computing Debye's scattering formula for Extraordinary Formfactors), to approximately calculate scattering profiles of arbitrarily shaped nanoparticles…

Mesoscale and Nanoscale Physics · Physics 2022-05-13 Jérôme Deumer , Brian R. Pauw , Sylvie Marguet , Dieter Skroblin , Olivier Taché , Michael Krumrey , Christian Gollwitzer

Biological screens are plagued by false positive hits resulting from aggregation. Thus, methods to triage small colloidally aggregating molecules (SCAMs) are in high demand. Herein, we disclose a bespoke machine-learning tool to confidently…

Quantitative Methods · Quantitative Biology 2021-05-04 Kuan Lee , Ann Yang , Yen-Chu Lin , Daniel Reker , Goncalo J. L. Bernardes , Tiago Rodrigues

As social media continues to grow rapidly, the prevalence of harassment on these platforms has also increased. This has piqued the interest of researchers in the field of fake detection. Social media data, often forms complex graphs with…

Machine Learning · Computer Science 2025-02-11 Jinus Bordbar , Saman Ardalan , Mohammadreza Mohammadrezaie , Zahra Ghasemi

Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a…

Machine Learning · Computer Science 2025-07-21 Aileen Luo , Tao Zhou , Ming Du , Martin V. Holt , Andrej Singer , Mathew J. Cherukara

The security infrastructure is ill-equipped to detect and deter the smuggling of non-explosive devices that enable terror attacks such as those recently perpetrated in western Europe. The detection of so-called "small metallic threats"…

Computer Vision and Pattern Recognition · Computer Science 2016-09-12 Nicolas Jaccard , Thomas W. Rogers , Edward J. Morton , Lewis D. Griffin

X-ray Absorption Spectroscopy (XAS) is a powerful technique for probing local atomic environments, yet its interpretation remains limited by the need for expert-driven analysis, computationally expensive simulations, and element-specific…

Machine Learning · Computer Science 2025-08-27 Yufeng Wang , Peiyao Wang , Lu Wei , Lu Ma , Yuewei Lin , Qun Liu , Haibin Ling

Small-angle X-ray and neutron scattering are widely used to investigate soft matter and biophysical systems. The experimental errors are essential when assessing how well a hypothesized model fits the data. Likewise, they are important when…

Data Analysis, Statistics and Probability · Physics 2022-04-20 Andreas Haahr Larsen , Martin Cramer Pedersen

The majority of machine learning methods and algorithms give high priority to prediction performance which may not always correspond to the priority of the users. In many cases, practitioners and researchers in different fields, going from…

X-ray absorption spectroscopy is a premier element-specific technique for materials characterization. Specifically, the x-ray absorption near-edge structure (XANES) encodes important information about the local chemical environment of an…

Materials Science · Physics 2019-03-27 Matthew R. Carbone , Shinjae Yoo , Mehmet Topsakal , Deyu Lu

Characterization of structural diversity within soft materials is key for engineering new materials for various applications. Small-angle scattering (SAS) is a widely used characterization technique that provides structural information in…

Soft Condensed Matter · Physics 2024-03-29 Sri Vishnuvardhan Reddy Akepati , Nitant Gupta , Arthi Jayaraman

Resonant (elastic) soft x-ray scattering (RSXS) offers a unique element, site, and valence specific probe to study spatial modulations of charge, spin, and orbital degrees of freedom in solids on the nanoscopic length scale. It cannot only…

Materials Science · Physics 2013-04-12 J. Fink , E. Schierle , E. Weschke , J. Geck

An ideal imaging system provides a spatial resolution that is ultimately dictated by the numerical aperture (NA) of the illumination and collection optics. In biological tissue, resolution is further affected by scattering limiting the…

In-situ small- and wide-angle scattering experiments at synchrotrons often result in massive amounts of data within seconds only. Especially during such beamtimes, processing of the acquired data online, so without mentionable delay, is key…

Other Computer Science · Computer Science 2020-07-07 Max Burian , Christian Meisenbichler , Denys Naumenko , Heinz Amenitsch

Resolution smearing is a critical challenge in the quantitative analysis of two-dimensional small-angle neutron scattering (SANS) data, particularly in studies of soft matter flow and deformation using SANS. We present the central moment…

X-ray absorption near edge structure (XANES) spectroscopy is a powerful technique for characterizing the chemical state and symmetry of individual elements within materials, but requires collecting data at many energy points which can be…

Applied Physics · Physics 2025-04-25 Ming Du , Mark Wolfman , Chengjun Sun , Shelly D. Kelly , Mathew J. Cherukara

Single-shot X-ray imaging of short-lived nanostructures such as clusters and nanoparticles near a phase transition or non-crystalizing objects such as large proteins and viruses is currently the most elegant method for characterizing their…

Atomic and Molecular Clusters · Physics 2020-10-14 Thomas Stielow , Robin Schmidt , Christian Peltz , Thomas Fennel , Stefan Scheel