Related papers: PDFgetX3: A rapid and highly automatable program f…
We demonstrate a strategy for simulating wide-range X-ray scattering patterns, which spans the small- and wide scattering angles as well as the scattering angles typically used for Pair Distribution Function (PDF) analysis. Such simulated…
In an earlier publication, we introduced the software package, {\tt \texttt{ePump}} (error PDF Updating Method Package), that can be used to update or optimize a set of parton distribution functions (PDFs), including the best-fit PDF set…
Images produced by diffusion models are increasingly popular in digital artwork and visual marketing. However, such generated images might replicate content from existing ones and pose the challenge of content originality. Existing Image…
Determining crystal structures from experimental powder X-ray diffraction data remains challenging because peak overlap, preferred orientation, and impurity phases obscure atomic arrangements. We present RealPXRD-Solver, a generative model…
We introduce DD3G, a formulation that Distills a multi-view Diffusion model (MV-DM) into a 3D Generator using gaussian splatting. DD3G compresses and integrates extensive visual and spatial geometric knowledge from the MV-DM by simulating…
A new procedure aiming at folding a powder diffraction 2-D into a 1-D scan is presented. The technique consists of three steps: tracking the beam centre by means of a Simulated Annealing (SA) of the diffraction rings along the same axis,…
We present the software framework underlying the NNPDF4.0 global determination of parton distribution functions (PDFs). The code is released under an open source licence and is accompanied by extensive documentation and examples. The code…
Diffusion Probabilistic Models (DPMs) are generative models showing competitive performance in various domains, including image synthesis and 3D point cloud generation. Sampling from pre-trained DPMs involves multiple neural function…
Materials identification and structural understanding from powder X-ray diffraction (PXRD) data is a long-standing challenge in materials science, fundamental to discovering and characterizing novel materials. A prerequisite for full…
Generating high-quality 3D objects from textual descriptions remains a challenging problem due to computational cost, the scarcity of 3D data, and complex 3D representations. We introduce Geometry Image Diffusion (GIMDiffusion), a novel…
The spherically averaged structure function $\soq$ obtained from pulsed neutron powder diffraction contains both elastic and inelastic scattering via an integral over energy. The Fourier transformation of $\soq$ to real space, as is done in…
The presence of gas pores in metal feedstock powder for additive manufacturing greatly affects the final AM product. Since current porosity analysis often involves lengthy X-ray computed tomography (XCT) scans with a full rotation around…
We present a new public code, FPPDF, to perform global fits of parton distribution functions (PDFs). The fitting methodology follows that implemented by the MSHT collaboration, namely applying a fixed polynomial parameterisation of the PDFs…
Presented here is decryst, a software suite for structure determination from powder diffraction, which uses the direct space method, and is able to apply anti-bump constraints automatically and efficiently during the procedure of global…
Context. Inferring spectral parameters from X-ray data is one of the cornerstones of high-energy astrophysics, and is achieved using software stacks that have been developed over the last twenty years and more. However, as models get more…
SAXSFit is a computer analysis program that has been developed to assist in the fitting of small-angle x-ray and neutron scattering spectra primarily from nanoparticles (nanopores). The fitting procedure yields the pore or particle size…
Equations for the reduced structure function and atomic pair distribution function (PDF) of a textured polycrystalline sample are formulated in terms of the orientational distribution function (ODF) and the structure function from a single…
The general and practical inversion of diffraction data-producing a computer model correctly representing the material explored - is an important unsolved problem for disordered materials. Such modeling should proceed by using our full…
TauREx 3 is the next generation of the TauREx exoplanet atmospheric retrieval framework for Windows, Mac, and Linux. It is a complete rewrite with a full Python stack that makes it easy-to-use, high-performance, dynamic, and flexible. The…
Myocardial perfusion imaging using SPECT is widely utilized to diagnose coronary artery diseases, but image quality can be negatively affected in low-dose and few-view acquisition settings. Although various deep learning methods have been…