Related papers: On single crystal total scattering data reduction …
Dimension reduction is often the first step in statistical modeling or prediction of multivariate spatial data. However, most existing dimension reduction techniques do not account for the spatial correlation between observations and do not…
Purpose: The scattering phenomenon creates degrading effects in positron emission tomography (PET) and the corresponding events are rejected conventionally. We have proposed a mathematical model to retrace the original line of response of…
We presented a new 3D refinement method for Cryo-EM single particle analysis which can improve the resolution of final electron density map in this paper. We proposed to enforce both sparsity and smoothness to improve the regularity of…
Considerable inroads have recently been made on algorithms to determine the sample potential from four-dimensional scanning transmission electron microscopy data from thick samples where multiple scattering cannot be neglected. This paper…
In this paper, we are interested in the estimation of Particle Size Distributions (PSDs) during a batch crystallization process in which particles of two different shapes coexist and evolve simultaneously. The PSDs are estimated thanks to a…
Three-dimensional phase contrast imaging of multiply-scattering samples in X-ray and electron microscopy is extremely challenging, due to small numerical apertures, the unavailability of wavefront shaping optics, and the highly nonlinear…
For obtaining reliable nanostructural details of large amounts of sample --- and if it is applicable --- Small-Angle Scattering (SAS) is a prime technique to use. It promises to obtain bulk-scale, statistically sound information on the…
In order to explore the effects of high levels of electron correlation on the real-time coupled cluster formalism and algorithmic behavior, we introduce a time-dependent implementation of the CC3 singles, doubles and approximate triples…
The precise knowledge of parton distribution functions (PDFs) is indispensable to the accurate calculation of hadron-initiated QCD hard scattering observables. Much of our information on PDFs is extracted by comparing deep inelastic…
The current PDF4LHC recommendation to estimate uncertainties due to parton distribution functions (PDFs) in theoretical predictions for LHC processes involves the combination of separate predictions computed using PDF sets from different…
We propose efficient algorithms based on a band-limited version of 2D synchrosqueezed transforms to extract mesoscopic and microscopic information from atomic crystal images. The methods analyze atomic crystal images as an assemblage of…
In this work, we compare one-step and two-step approaches for X-ray computed tomography (CT) scatter correction and density reconstruction. X-ray CT is an important imaging technique in medical and industrial applications. In many cases,…
We consider big spatial data, which is typically produced in scientific areas such as geological or seismic interpretation. The spatial data can be produced by observation (e.g. using sensors or soil instrument) or numerical simulation…
The core theme of X-ray crystallography is reconstructing the electron density distribution of crystals under the constraints of observed diffraction data. Nevertheless, the reconstruction of electron density distribution by straightforward…
Efficiently and accurately determining the symmetry is a crucial step in the structural analysis of crystalline materials. Existing methods usually mindlessly apply deep learning models while ignoring the underlying chemical rules. More…
We prove that the singularities of a potential in the two and three dimensional Schr\"odinger equation are the same as the singularities of the Born approximation (Diffraction Tomography), obtained from backscattering inverse data, with an…
Score distillation sampling~(SDS) has been widely adopted to overcome the absence of unseen views in reconstructing 3D objects from a \textbf{single} image. It leverages pre-trained 2D diffusion models as teacher to guide the reconstruction…
The heat transfer (conductive, convective, radiative) and the related problems (the unknown phase boundary fluid/crystal, the assessment of the quality of the grown crystals) encountered in the melt and vapour growth of single crystal as…
In crystallography, a structure is typically represented by the arrangement of atoms in the direct space. Furthermore, space group symmetry and Wyckoff site notations are applied to characterize crystal structures with only a few variables.…
The ill-posed problem of phase retrieval in optics, using one or more intensity measurements, has a multitude of applications using electromagnetic or matter waves. Many phase retrieval algorithms are computed on pixel arrays using discrete…