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The sampling problem lies at the heart of atomistic simulations and over the years many different enhanced sampling methods have been suggested towards its solution. These methods are often grouped into two broad families. On the one hand…

Computational Physics · Physics 2020-11-25 Michele Invernizzi , Pablo Miguel Piaggi , Michele Parrinello

Metropolis simulations of all-atom models of peptides (i.e. small proteins) are considered. Inspired by the funnel picture of Bryngelson and Wolyness, a transformation of the updating probabilities of the dihedral angles is defined, which…

Statistical Mechanics · Physics 2009-11-10 Bernd A. Berg

Umbrella sampling efficiently yields equilibrium averages that depend on exploring rare states of a model by biasing simulations to windows of coordinate values and then combining the resulting data with physical weighting. Here, we…

Statistical Mechanics · Physics 2016-09-21 Erik Thiede , Brian Van Koten , Jonathan Weare , Aaron R. Dinner

We propose Amortized Posterior Sampling (APS), a novel variational inference approach for efficient posterior sampling in inverse problems. Our method trains a conditional flow model to minimize the divergence between the variational…

Computer Vision and Pattern Recognition · Computer Science 2025-07-14 Abbas Mammadov , Hyungjin Chung , Jong Chul Ye

Sympathetic cooling of trapped ions has been established as a powerful technique for manipulation of non-laser-coolable ions (Raizen1992,Waki1992,Bowe1999,Barrett2003). For molecular ions, it promises vastly enhanced spectroscopic…

Quantum Physics · Physics 2018-06-06 Soroosh Alighanbari , Michael Georg Hansen , Vladimir Korobov , Stephan Schiller

An algorithm for sampling exactly from the normal distribution is given. The algorithm reads some number of uniformly distributed random digits in a given base and generates an initial portion of the representation of a normal deviate in…

Computational Physics · Physics 2016-02-01 Charles F. F. Karney

Weighted average sampling is more practical and numerically more stable than sampling at single points as in the classical Shannon sampling framework. Using the frame theory, one can completely reconstruct a bandlimited function from its…

Information Theory · Computer Science 2014-07-04 Haizhang Zhang

We explore the radial velocity performance benefits of coupling starlight to a fast-scanning interferometer and a fast-readout spectrometer with zero readout noise. By rapidly scanning an interferometer we can decouple wavelength…

Instrumentation and Methods for Astrophysics · Physics 2015-11-18 Rebecca Jensen-Clem , Philip S. Muirhead , Michael Bottom , J. Kent Wallace , Gautam Vasisht , John Asher Johnson

We provide a simple approach for the evaluation of inverse integral transforms that does not require any knowledge of complex analysis. The central idea behind the method is to reduce the inverse transform to the solution of an ordinary…

Physics Education · Physics 2015-05-30 Aaron Farrell , Brandon P. van Zyl , Zachary MacDonald

The modern Doppler Imaging (DI) technique allows the reconstruction of different stellar surface structures based on accurate calculation of spectra of specific intensity. New applications like the mapping of the magnetic field vector put…

Astrophysics · Physics 2007-05-23 N. Piskunov

In this work, we propose FastDPM, a unified framework for fast sampling in diffusion probabilistic models. FastDPM generalizes previous methods and gives rise to new algorithms with improved sample quality. We systematically investigate the…

Machine Learning · Computer Science 2021-06-25 Zhifeng Kong , Wei Ping

The behavior of the average velocity, its deviation and average squared velocity are characterized using three techniques for a 1-D dissipative impact system. The system -- a particle, or an ensemble of non interacting particles, moving in…

Chaotic Dynamics · Physics 2016-04-01 Gabriel Díaz I. , André L. P. Livorati , Edson D. Leonel

A distinctive feature of Doppler radar is the measurement of velocity in the radial direction for radar points. However, the missing tangential velocity component hampers object velocity estimation as well as temporal integration of radar…

Computer Vision and Pattern Recognition · Computer Science 2021-08-25 Yunfei Long , Daniel Morris , Xiaoming Liu , Marcos Castro , Punarjay Chakravarty , Praveen Narayanan

We introduce a new method, (Doppler Velocity Reconstruction or DoVeR), for reconstructing two-component velocity fields from color Doppler scans. DoVeR employs the streamfunction-vorticity equation, which satisfies mass conservation while…

Medical Physics · Physics 2020-10-23 Brett A Meyers , Craig J Goergen , Patrick Segers , Pavlos P Vlachos

In this paper, we develop a fast imaging technique for small anomalies located in homogeneous media from S-parameter data measured at dipole antennas. Based on the representation of S-parameters when an anomaly exists, we design a direct…

Numerical Analysis · Mathematics 2018-03-13 Won-Kwang Park

Determining accurate plasma Doppler (line-of-sight) velocities from spectroscopic measurements is a challenging endeavour, especially when weak chromospheric absorption lines are often rapidly evolving and, hence, contain multiple spectral…

Solar and Stellar Astrophysics · Physics 2021-01-05 Conor D. MacBride , David B. Jess , Samuel D. T. Grant , Elena Khomenko , Peter H. Keys , Marco Stangalini

This paper proposes a novel approach to spectral computed tomography (CT) material decomposition that uses the recent advances in generative diffusion models (DMs) for inverse problems. Spectral CT and more particularly photon-counting CT…

The photon Doppler velocimetry (PDV) spectrum is investigated in an attempt to reveal the particle parameters of ejecta from shock-loaded samples in a vacuum. A GPU-accelerated Monte-Carlo algorithm, which considers the multiple-scattering…

Applied Physics · Physics 2021-08-11 Xiao-Feng Shi , Dong-Jun Ma , Song-lin Dang , Zong-Qiang Ma , Hai-Quan Sun , An-Min He , Pei Wang

We address the problem of sampling double-ended diffusive paths. The ensemble of paths is expressed using a symmetric version of the Onsager-Machlup formula, which only requires evaluation of the force field and which, upon direct time…

Statistical Mechanics · Physics 2011-07-27 Thomas F. Miller , Cristian Predescu

From a suitable integral representation of the Laplace transform of a positive semi-definite quadratic form of independent real random variables with not necessarily identical densities a univariate integral representation is derived for…

Statistics Theory · Mathematics 2007-11-01 T. Royen