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A finite element-based image segmentation strategy enhanced by an anisotropic mesh adaptation procedure is presented. The methodology relies on a split Bregman algorithm for the minimisation of a region-based energy functional and on an…
Atomic vibrations are usually not taken into account when analyzing x-ray absorption near edge structure (XANES) spectra. One of the reasons is that including the vibrations in a formally exact way is quite complicated while the effect of…
Small angle X-ray scattering (SAXS) is extensively used in materials science as a way of examining nanostructures. The analysis of experimental SAXS data involves mapping a rather simple data format to a vast amount of structural models.…
X-ray absorption spectroscopy (XAS) is a premier technique for materials characterization, providing key information about the local chemical environment of the absorber atom. In this work, we develop a database of sulfur K-edge XAS spectra…
Three independent techniques are used to separate fine structure from the absorption spectra, the background function in which is approximated by (i) smoothing spline. We propose a new reliable criterion for determination of smoothing…
Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to…
X-ray photoelectron spectroscopy (XPS) is a widely used technique for chemical analysis of solid surfaces, sensitive to the chemical environments of atoms via core-level binding energy shifts. While modern instruments allow experimental…
(Abbrev.) We present high-resolution spectroscopy of the oxygen K-shell interstellar absorption edge in 7 X-ray binaries using the HETGS onboard Chandra. Using the brightest sources as templates, we found a best-fit model of 2 absorption…
We describe an exact, flexible, and computationally efficient algorithm for a joint estimation of the large-scale structure and its power-spectrum, building on a Gibbs sampling framework and present its implementation ARES (Algorithm for…
Accurate decomposition of the mixed Mn oxidation states is highly important for characterizing the electronic structures, charge transfer, and redox centers for electronic, electrocatalytic, and energy storage materials that contain Mn.…
Thin film systems are often analysed by using sputter depth profiling. First the sample gets eroded by inert gas ion impact during sputter depth profiling. Then the elemental composition of the freshly unveiled surface is determined by…
Earth-abundant iron is an essential metal in regulating the structure and function of proteins. This study presents the development of a comprehensive X-ray Absorption Spectroscopy (XAS) database focused on iron-containing proteins,…
The prediction accuracy of the deep neural networks (DNNs) after deployment at the edge can suffer with time due to shifts in the distribution of the new data. To improve robustness of DNNs, they must be able to update themselves to enhance…
A deep understanding of molecular photo-transformations is challenging because of the complex interaction between the configurations of electrons and nuclei. An initial optical excitation dissipates energy into electronic and structural…
We have implemented the newly-introduced, coherence-based technique of x-ray near-field speckle (XNFS) at 8-ID-I at the Advanced Photon Source. In the near field regime of high-brilliance synchrotron x-rays scattered from a sample of…
Applicability and accuracy of traditional scanned-wavelength direct absorption spectroscopy (SDAS) diagnostic method is largely affected by combustion state such as temperature and pressure. To resolve this problem, an innovative…
Coordinating the design of sampling and sparse-dense matrix multiplication (SpMM) is crucial for accelerating graph neural networks (GNNs). However, due to irrational sampling strategies, existing methods face a trade-off between accuracy…
We study the image retrieval problem at the wireless edge, where an edge device captures an image, which is then used to retrieve similar images from an edge server. These can be images of the same person or a vehicle taken from other…
Two novel methods, including the scanning envelope synthesis (SES) method and the active reflection self-cancellation (ARC) method, are proposed to design wide-angle scanning heterogeneous element phased arrays. Heterogeneous strategy is…
Air quality prediction is a typical spatio-temporal modeling problem, which always uses different components to handle spatial and temporal dependencies in complex systems separately. Previous models based on time series analysis and…