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In recent years, free energy perturbation (FEP) calculations have garnered increasing attention as tools to support drug discovery. The lead optimization mapper (Lomap) was proposed as an algorithm to calculate the relative free energy…

Biomolecules · Quantitative Biology 2023-04-11 Kairi Furui , Masahito Ohue

This article introduces new acceleration methods for fixed-point iterations. Extrapolations are computed using two or three mappings alternately and a new type of step length is proposed with good properties for nonlinear applications. The…

Optimization and Control · Mathematics 2021-08-17 Nicolas Lepage-Saucier

We extend a primal-dual fixed point algorithm (PDFP) proposed in [5] to solve two kinds of separable multi-block minimization problems, arising in signal processing and imaging science. This work shows the flexibility of applying PDFP…

Optimization and Control · Mathematics 2016-02-02 Peijun Chen , Jianguo Huang , Xiaoqun Zhang

A new material characterization technique is emerging for the transmission electron microscope (TEM). Using electron energy-loss spectroscopy, real space mappings of the underlying electronic transitions in the sample, so called orbital…

Materials Science · Physics 2023-05-26 Manuel Ederer , Stefan Löffler

Speedlines in compressor performance maps (CPMs) are critical for understanding and predicting compressor behavior under various operating conditions. We investigate a physics-based method for reconstructing compressor performance maps from…

The study of stellar surfaces can reveal information about the chemical composition, interior structure, and magnetic properties of stars. It is also critical to the detection and characterization of extrasolar planets, in particular those…

Solar and Stellar Astrophysics · Physics 2021-10-14 Rodrigo Luger , Megan Bedell , Daniel Foreman-Mackey , Ian J. M. Crossfield , Lily L. Zhao , David W. Hogg

Over the last decades, the family of $\alpha$-stale distributions has proven to be useful for modelling in telecommunication systems. Particularly, in the case of radar applications, finding a fast and accurate estimation for the amplitude…

Methodology · Statistics 2023-11-15 Mahdi Teimouri

Precise Doppler studies of extrasolar planets require fine-grained control of observational cadence, i.e. the timing of and spacing between observations. We present a novel framework for scheduling a set of Doppler campaigns with different…

Instrumentation and Methods for Astrophysics · Physics 2024-02-28 Luke B. Handley , Erik A. Petigura , Velibor V. Misic , Jack Lubin , Howard Isaacson

This paper focuses on multi-block optimization problems over transport polytopes, which underlie various applications including strongly correlated quantum physics and machine learning. Conventional block coordinate descent-type methods for…

Optimization and Control · Mathematics 2024-08-27 Yukuan Hu , Mengyu Li , Xin Liu , Cheng Meng

Calibration methods have been widely studied in survey sampling over the last decades. Viewing calibration as an inverse problem, we extend the calibration technique by using a maximum entropy method. Finding the optimal weights is achieved…

Methodology · Statistics 2009-09-23 Fabrice Gamboa , Jean-Michel Loubes , Paul Rochet

For a class of piecewise hyperbolic maps in two dimensions, we propose a combinatorial definition of topological entropy by counting the maximal, open, connected components of the phase space on which iterates of the map are smooth. We…

Dynamical Systems · Mathematics 2020-03-11 Mark F. Demers

Extracting scientific results from high-energy collider data involves the comparison of data collected from the experiments with synthetic data produced from computationally-intensive simulations. Comparisons of experimental data and…

High Energy Physics - Experiment · Physics 2022-11-23 Matthew Feickert , Mihir Katare , Mark Neubauer , Avik Roy

The high directionality and intense Doppler effects of millimeter wave (mmWave) and sub-terahertz (subTHz) channels demand accurate localization of the users and a new paradigm of channel estimation. For orthogonal frequency division…

Signal Processing · Electrical Eng. & Systems 2024-06-13 Enrique T. R. Pinto , Markku Juntti

This study investigates a multiplicative integer system using a method that was developed for studying pattern generation problems. The entropy and the Minkowski dimensions of general multiplicative systems can thus be computed. A…

Dynamical Systems · Mathematics 2015-03-20 Jung-Chao Ban , Wen-Guei Hu , Song-Sun Lin

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

This paper introduces a new algorithm for the fundamental problem of generating a random integer from a discrete probability distribution using a source of independent and unbiased random coin flips. We prove that this algorithm, which we…

Computation · Statistics 2020-07-03 Feras A. Saad , Cameron E. Freer , Martin C. Rinard , Vikash K. Mansinghka

The principle of maximum entropy provides a useful method for inferring statistical mechanics models from observations in correlated systems, and is widely used in a variety of fields where accurate data are available. While the assumptions…

Neurons and Cognition · Quantitative Biology 2017-06-02 Ulisse Ferrari , Tomoyuki Obuchi , Thierry Mora

We give a new type of sufficient condition for the existence of measures with maximal entropy for an interval map $f$, using some non-uniform hyperbolicity to compensate for a lack of smoothness of $f$. More precisely, if the topological…

Dynamical Systems · Mathematics 2019-01-07 Jérôme Buzzi , Sylvie Ruette

At present, tracking data for planetary missions largely consists of radio observables: range-rate range and angular position. Future planetary missions may use Interplanetary Laser Ranging (ILR) as a tracking observable. Two-way ILR will…

Earth and Planetary Astrophysics · Physics 2018-07-25 Dominic Dirkx , Ivan Prochazka , Sven Bauer , Pieter Visser , Ron Noomen , Leonid I. Gurvits , Bert Vermeersen