Related papers: Direct Motif Extraction from High Resolution Cryst…
Promptable segmentation foundation models have emerged as a transformative approach to addressing the diverse needs in medical images, but most existing models require expensive computing, posing a big barrier to their adoption in clinical…
Modern high-resolution images obtained with space observatories display extremely strong intensity variations across images on all spatial scales. Source extraction in such images with methods based on global thresholding may bring…
Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…
We present a numerical method and computer code to calculate the radiative transfer and excitation of molecular lines. Formulating the Monte Carlo method from the viewpoint of cells rather than photons allows us to separate local and…
Machine learning models for functional materials design require precise and informative representations of material systems. Common representations encode atomic composition and bonding but often do not include local coordination…
A new method for solving small X-ray structures with up to couple of hundreds of atoms in the unit cell has been developed. The method works by locating atoms one-by-one via global minimization of a newly defined single-atom R1 factor in…
Multiplex Imaging (MI) enables the simultaneous visualization of multiple biological markers in separate imaging channels at subcellular resolution, providing valuable insights into cell-type heterogeneity and spatial organization. However,…
The association of scanning transmission electron microscopy (STEM) and the detection of a diffraction pattern at each probe position (so-called 4D-STEM) represents one of the most promising approaches to analyze structural properties of…
Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to characterize local environments in different polymorphs of…
Non-invasive optical manipulation of particles has emerged as a powerful and versatile tool for biological study and nanotechnology. In particular, trapping and rotation of cells, cell nuclei and sub-micron particles enables unique…
We introduce a graphical method originating from the computer graphics domain that is used for the arbitrary and intuitive placement of cells over a two-dimensional manifold. Using a bitmap image as input, where the color indicates the…
Many edge and contour detection algorithms give a soft-value as an output and the final binary map is commonly obtained by applying an optimal threshold. In this paper, we propose a novel method to detect image contours from the extracted…
In this paper, we present a 3-D one step photoemission model that can be used to calculate the quantum efficiency and momentum distributions of electrons photoemitted from ordered single crystal surfaces close to the photoemission…
In this paper, we present the Directly Denoising Diffusion Model (DDDM): a simple and generic approach for generating realistic images with few-step sampling, while multistep sampling is still preserved for better performance. DDDMs require…
Manual identification of fission tracks has practical problems, such as variation due to observer-observation efficiency. An automatic processing method that could identify fission tracks in a photomicrograph could solve this problem and…
Guided diffusion is a technique for conditioning the output of a diffusion model at sampling time without retraining the network for each specific task. One drawback of diffusion models, however, is their slow sampling process. Recent…
Global optimization of crystal compositions is a significant yet computationally intensive method to identify stable structures within chemical space. The specific physical properties linked to a three-dimensional atomic arrangement make…
The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically relevant crystal structure prototypes. In this paper, we…
This work describes a novel methodology for automatic contour extraction from 2D images of 3D neurons (e.g. camera lucida images and other types of 2D microscopy). Most contour-based shape analysis methods can not be used to characterize…
In ab-initio indexing, for a given diffraction/scattering pattern, the unit-cell parameters and the Miller indices assigned to reflections in the pattern are determined simultaneously. "Ab-initio" means a process performed without any good…