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To obtain an electron-density map from a macromolecular crystal the phase-problem needs to be solved, which often involves the use of heavy-atom derivative crystals and concomitantly the determination of the heavy atom substructure. This is…

Biomolecules · Quantitative Biology 2018-08-20 Bjørn Panyella Pedersen , Pontus Gourdon , Xiangyu Liu , Jesper Lykkegaard Karlsen , Poul Nissen

The data torrent unleashed by current and upcoming astronomical surveys demands scalable analysis methods. Many machine learning approaches scale well, but separating the instrument measurement from the physical effects of interest, dealing…

Computation · Statistics 2023-04-19 Johannes Buchner

A longstanding belief in quantum tomography is that estimating a mixed state is far harder than estimating a pure state. This is borne out in the mathematics, where mixed state algorithms have always required more sophisticated techniques…

Quantum Physics · Physics 2025-11-21 Angelos Pelecanos , Jack Spilecki , Ewin Tang , John Wright

Sampling from complicated probability distributions is a hard computational problem arising in many fields, including statistical physics, optimization, and machine learning. Quantum computers have recently been used to sample from…

The aim of this paper is to propose an optimal control optimization algorithm for reconstructing admittivity distributions (i.e., both conductivity and permittivity) from multi-frequency micro-electrical impedance tomography. A convergent…

Analysis of PDEs · Mathematics 2014-03-25 Habib Ammari , Laure Giovangigli , Loc Hoang Nguyen , Jin-Keun Seo

We present a Bayesian sampling algorithm called adaptive importance sampling or Population Monte Carlo (PMC), whose computational workload is easily parallelizable and thus has the potential to considerably reduce the wall-clock time…

Cosmology and Nongalactic Astrophysics · Physics 2009-09-02 Darren Wraith , Martin Kilbinger , Karim Benabed , Olivier Cappé , Jean-François Cardoso , Gersende Fort , Simon Prunet , Christian P. Robert

The Maximum Entropy Method (MEM) is a popular data analysis technique based on Bayesian inference, which has found various applications in the research literature. While the MEM itself is well-grounded in statistics, I argue that its…

Data Analysis, Statistics and Probability · Physics 2020-11-03 Alexander Rothkopf

Performing exact Bayesian inference for complex models is computationally intractable. Markov chain Monte Carlo (MCMC) algorithms can provide reliable approximations of the posterior distribution but are expensive for large datasets and…

Computation · Statistics 2021-12-09 Maxime Vono , Daniel Paulin , Arnaud Doucet

The maximum-entropy sampling problem is a fundamental and challenging combinatorial-optimization problem, with application in spatial statistics. It asks to find a maximum-determinant order-$s$ principal submatrix of an order-$n$ covariance…

Optimization and Control · Mathematics 2020-02-03 Zhongzhu Chen , Marcia Fampa , Amélie Lambert , Jon Lee

I propose a new algorithm, a free energy Monte Carlo algorithm, for calculations where conventional Monte Carlo simulations struggle with ergodicity problems. The simplest version of the proposed algorithm allows for the determination of…

Condensed Matter · Physics 2007-05-23 M. J. Thill

We show how the expectation-maximization (EM) algorithm can be applied exactly for the fitting of mixtures of general multivariate skew t (MST) distributions, eliminating the need for computationally expensive Monte Carlo estimation. Finite…

Methodology · Statistics 2012-09-06 S. X. Lee , G. J. McLachlan

This paper introduces Manhattan sampling in two and higher dimensions, and proves sampling theorems. In two dimensions, Manhattan sampling, which takes samples densely along a Manhattan grid of lines, can be viewed as sampling on the union…

Information Theory · Computer Science 2015-02-06 Matthew A. Prelee , David L. Neuhoff

In cancer research, the role of the extracellular matrix (ECM) and its associated matrix-degrading enzyme (MDE) has been a significant area of focus. This study presents a numerical algorithm designed to simulate a previously established…

Numerical Analysis · Mathematics 2025-03-25 Qiumei Huang , Zhonghua Qiao , Cheng Wang , Huiting Yang

The particle filter (PF), also known as sequential Monte Carlo (SMC), approximates high-dimensional probability distributions and their normalizing constants in the discrete-time setting. To reduce the variance of the Monte Carlo…

Computation · Statistics 2026-05-05 Jianfeng Lu , Yuliang Wang

In this paper, we study the problem of estimating latent variable models with arbitrarily corrupted samples in high dimensional space ({\em i.e.,} $d\gg n$) where the underlying parameter is assumed to be sparse. Specifically, we propose a…

Machine Learning · Statistics 2020-10-20 Di Wang , Xiangyu Guo , Shi Li , Jinhui Xu

Positron emission tomographs (PET) do not measure an image directly. Instead, they measure at the boundary of the field-of-view (FOV) of PET tomograph a sinogram that consists of measurements of the sums of all the counts along the lines…

We study the existing algorithms that solve the multidimensional martingale optimal transport. Then we provide a new algorithm based on entropic regularization and Newton's method. Then we provide theoretical convergence rate results and we…

Probability · Mathematics 2018-12-31 Hadrien De March

The performance of a photovoltaic system is subject to varying environmental conditions, and it becomes more challenging to track the maximum power point (MPP) and maintain the optimal performance when partial shading occurs. In this paper,…

Signal Processing · Electrical Eng. & Systems 2018-05-15 Leian Chen , Xiaodong Wang

Semi-continuous data comes from a distribution that is a mixture of the point mass at zero and a continuous distribution with support on the positive real line. A clear example is the daily rainfall data. In this paper, we present a novel…

Methodology · Statistics 2021-06-17 Sai K. Popuri , Nagaraj K. Neerchal , Amita Mehta , Ahmad Mousavi

We propose a method to calculate the QCD level density directly from the thermodynamic quantities obtained by lattice QCD simulations with the use of the maximum entropy method (MEM). Understanding QCD thermodynamics from QCD spectral…

High Energy Physics - Lattice · Physics 2007-05-23 Shinji Ejiri , Tetsuo Hatsuda