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Large-scale density functional theory (DFT) calculations provide a powerful tool to investigate the atomic and electronic structure of materials with complex structures. This article reviews a large-scale DFT calculation method, the…

Materials Science · Physics 2022-08-31 Ayako Nakata , David R. Bowler , Tsuyoshi Miyazaki

In this paper, we consider acoustic or electromagnetic scattering in two dimensions from an infinite three-layer medium with thousands of wavelength-size dielectric particles embedded in the middle layer. Such geometries are typical of…

Numerical Analysis · Mathematics 2015-06-22 Jun Lai , Motoki Kobayashi , Leslie Greengard

Light scattering by tissue severely limits how deep beneath the surface one can image, and the spatial resolution one can obtain from these images. Diffuse optical tomography (DOT) is one of the most powerful techniques for imaging deep…

Image and Video Processing · Electrical Eng. & Systems 2021-05-31 Yongyi Zhao , Ankit Raghuram , Hyun K. Kim , Andreas H. Hielscher , Jacob T. Robinson , Ashok Veeraraghavan

The use of machine learning algorithms is an attractive way to produce very fast detector simulations for scattering reactions that can otherwise be computationally expensive. Here we develop a factorised approach where we deal with each…

Data Analysis, Statistics and Probability · Physics 2022-07-26 D. Darulis , R. Tyson , D. G. Ireland , D. I. Glazier , B. McKinnon , P. Pauli

Uncertainty quantification for image data is dominated by complex deep learning methods, yet the field lacks an interpretable, mathematically grounded baseline. We propose Bayesian scattering to fill this gap, serving as a first-step…

Machine Learning · Computer Science 2026-03-24 Bernardo Fichera , Zarko Ivkovic , Kjell Jorner , Philipp Hennig , Viacheslav Borovitskiy

Diffusion Models (DMs) have demonstrated state-of-the-art performance in content generation without requiring adversarial training. These models are trained using a two-step process. First, a forward - diffusion - process gradually adds…

Computer Vision and Pattern Recognition · Computer Science 2024-03-13 Anwaar Ulhaq , Naveed Akhtar

Accurately estimating the point spread function (PSF) of an optical system requires solving free-space wave propagation, which entails evaluating a diffraction integral. This integral is traditionally computed numerically using Fast Fourier…

Image and Video Processing · Electrical Eng. & Systems 2026-05-22 Nicholas Ganino , Qi Guo

We revisit the method of cumulants for analysing dynamic light scattering data in particle sizing applications. Here the data, in the form of the time correlation function of scattered light, is written as a series involving the first few…

Soft Condensed Matter · Physics 2015-04-27 Alastair G. Mailer , Paul S. Clegg , Peter N. Pusey

Many integral equation-based methods are available for problems of time-harmonic electromagnetic scattering from perfect electric conductors. Among the many challenges that arise in such calculations are the avoidance of spurious…

Numerical Analysis · Mathematics 2025-07-17 Felipe Vico , Leslie Greengard , Michael O'Neil , Manas Rachh

We introduce a practical digital holographic method capable of imaging through a diffusive or scattering medium. The method relies on statistical averaging from a rotating ground glass diffuser to negate the adverse effects caused by…

In physics, density $\rho(\cdot)$ is a fundamentally important scalar function to model, since it describes a scalar field or a probability density function that governs a physical process. Modeling $\rho(\cdot)$ typically scales poorly…

Computational Physics · Physics 2023-12-14 Maxwell X. Cai , Kin Long Kelvin Lee

This paper concerns diffraction-tomographic reconstruction of an object characterized by its scattering potential. We establish a rigorous generalization of the Fourier diffraction theorem in arbitrary dimension, giving a precise relation…

Numerical Analysis · Mathematics 2026-03-30 Clemens Kirisits , Michael Quellmalz , Eric Setterqvist

Diffusing Alpha-emitters Radiation Therapy (DaRT) is a new method for treating solid tumors using alpha particles. Unlike conventional radiotherapy, where the physical models for dose calculations are known and routinely used, for DaRT a…

Medical Physics · Physics 2021-11-09 Guy Heger , Lior Arazi

A forward model is presented to an inverse scattering problem that arises in the application of reflective Fourier ptychographic microscopy. The model allows us to determine the 3D distributions of refractive index for weakly scattering…

Optics · Physics 2020-08-25 Shuhe Zhang , Tos Berendschot , Shuo Zhang

Diffusion models have recently emerged as powerful priors for solving inverse problems. While computed tomography (CT) is theoretically a linear inverse problem, it poses many practical challenges. These include correlated noise, artifact…

Image and Video Processing · Electrical Eng. & Systems 2026-02-24 Jiayang Shi , Daniel M. Pelt , K. Joost Batenburg

Formula for calculating the atomic scattering factor for spherical x-ray waves is derived and used to solve the near field effects problem in X-ray Fluorescence Holography theory. A rigorous formalism to calculate the X-ray fluorescence…

Materials Science · Physics 2009-11-10 Jianming Bai

In modern process industries, data-driven models are important tools for real-time monitoring when key performance indicators are difficult to measure directly. While accurate predictions are essential, reliable uncertainty quantification…

Machine Learning · Computer Science 2026-04-07 Yiran Ma , Jerome Le Ny , Zhichao Chen , Zhihuan Song

While diffusion models can successfully generate data and make predictions, they are predominantly designed for static images. We propose an approach for efficiently training diffusion models for probabilistic spatiotemporal forecasting,…

Machine Learning · Computer Science 2023-10-12 Salva Rühling Cachay , Bo Zhao , Hailey Joren , Rose Yu

We aim to leverage diffusion to address the challenging image matting task. However, the presence of high computational overhead and the inconsistency of noise sampling between the training and inference processes pose significant obstacles…

Computer Vision and Pattern Recognition · Computer Science 2024-12-05 Yihan Hu , Yiheng Lin , Wei Wang , Yao Zhao , Yunchao Wei , Humphrey Shi

In calculating integral or discrete transforms, use has been made of fast algorithms for multiplying vectors by matrices whose elements are specified as values of special (Chebyshev, Legendre, Laguerre, etc.) functions. The currently…

Numerical Analysis · Mathematics 2022-08-11 Andrew V. Terekhov