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A set of molecular descriptors whose length is independent of molecular size is developed for machine learning models that target thermodynamic and electronic properties of molecules. These features are evaluated by monitoring performance…

We present a comprehensive computational study of the short-time transport properties of bidisperse neutral colloidal suspensions and the corresponding porous media. Our study covers bidisperse particle size ratios up to $4$, and total…

Soft Condensed Matter · Physics 2015-06-23 Mu Wang , John F. Brady

We investigate diffusion in a polydisperse granular media. We derive mean-squared displacement of granular particles in a polydisperse granular gas in a homogeneous cooling state, containing arbitrary amount of species of different sizes…

Soft Condensed Matter · Physics 2024-03-21 Anna S. Bodrova

Distributed compressive sensing is a framework considering jointly sparsity within signal ensembles along with multiple measurement vectors (MMVs). The current theoretical bound of performance for MMVs, however, is derived to be the same…

Information Theory · Computer Science 2016-09-12 Sung-Hsien Hsieh , Wei-Jie Liang , Chun-Shien Lu , Soo-Chang Pei

Small molecules in biological samples are studied to provide information about disease states, environmental toxins, natural product drug discovery, and many other applications. The primary window into the composition of small molecule…

Machine Learning · Computer Science 2023-05-08 Gennady Voronov , Rose Lightheart , Joe Davison , Christoph A. Krettler , David Healey , Thomas Butler

We derive expressions for the dispersion for two classes of random variables in Markov processes. Random variables like current and activity pertain to the first class, which is composed by random variables that change whenever a jump in…

Statistical Mechanics · Physics 2015-10-13 Andre C. Barato , Udo Seifert

We propose a fast and scalable algorithm to project a given density on a set of structured measures defined over a compact 2D domain. The measures can be discrete or supported on curves for instance. The proposed principle and algorithm are…

Numerical Analysis · Mathematics 2019-02-05 Frédéric de Gournay , Jonas Kahn , Léo Lebrat , Pierre Weiss

The mean motion of turbulent patterns detected by a two-dimensional (2D) beam emission spectroscopy (BES) diagnostic on the Mega Amp Spherical Tokamak (MAST) is determined using a cross-correlation time delay (CCTD) method. Statistical…

Plasma Physics · Physics 2015-06-04 Y. -c. Ghim , A. R. Field , D. Dunai , S. Zoletnik , L. Bardoczi , A. A. Schekochihin , the MAST Team

V-T theory is constructed in the many-body Hamiltonian formulation, and differs at the foundation from current liquid dynamics theories. In V-T theory the liquid atomic motion consists of two contributions, normal mode vibrations in a…

Statistical Mechanics · Physics 2016-05-04 Duane C. Wallace , Giulia De Lorenzi-Venneri , Eric D. Chisolm

Structural breaks occur in timeseries data across a broad range of fields, from economics to nanosciences. For measurements of single-molecule break junctions, structural breaks in conductance versus displacement data occur when the…

We derive a hierarchy of equations which allow a general $n$-body distribution function to be measured by test-particle insertion of between $1$ and $n$ particles, and successfully apply it to measure the pair and three-body distribution…

Statistical Mechanics · Physics 2020-07-09 Adam Edward Stones , Dirk G. A. L. Aarts

In this work we study the general system of geodesic equations for the case of a massive particle moving on an arbitrary curved manifold. The investigation is carried out from the symmetry perspective. By exploiting the parametrization…

General Relativity and Quantum Cosmology · Physics 2019-06-05 N. Dimakis , Petros A. Terzis , T. Christodoulakis

For differences between means of continuous data from independent groups, the customary scale-free measure of effect is the standardized mean difference (SMD). To justify use of SMD, one should be reasonably confident that the group-level…

Statistics Theory · Mathematics 2025-12-10 Elena Kulinskaya , David C. Hoaglin

As an indicator of cooperative motion in a system of Brownian particles that models two-dimensional colloidal liquids, displacement correlation tensor is calculated analytically and compared with numerical results. The key idea for the…

Statistical Mechanics · Physics 2016-08-22 T. Ooshida , S. Goto , T. Matsumoto , M. Otsuki

Biological movement patterns can sometimes be quasi linear with abrupt changes in direction and speed, as in plastids in root cells investigated here. For the analysis of such changes we propose a new stochastic model for movement along…

Statistics Theory · Mathematics 2024-09-04 Solveig Plomer , Theresa Ernst , Philipp Gebhardt , Enrico Schleiff , Ralph Neininger , Gaby Schneider

A Langevin process diffusing in a periodic potential landscape has a time dependent diffusion constant which means that its average mean squared displacement (MSD) only becomes linear at late times. The long time, or effective diffusion…

Statistical Mechanics · Physics 2015-06-19 David S. Dean , Gleb Oshanin

Starting from a fine-scale dissipative particle dynamics (DPD) model of self-motile point particles, we derive meso-scale continuum equations by applying a spatial averaging version of the Irving--Kirkwood--Noll procedure. Since the method…

Adaptation and Self-Organizing Systems · Physics 2018-03-07 Alexander Panchenko , Denis F. Hinz , Eliot Fried

Almost all the media the particles move in are non-static. Depending on the expected resolution of the studied dynamics and the amplitude of the displacement of the media, sometimes the non-static behaviours of the media can not be ignored.…

Statistical Mechanics · Physics 2022-01-05 Tian Zhou , Pengbo Xu , Weihua Deng

This paper begins with a dynamical model that was obtained by applying a machine learning technique (FJet) to time-series data; this dynamical model is then analyzed with Lie symmetry techniques to obtain constants of motion. This analysis…

Machine Learning · Computer Science 2025-02-04 Michael F. Zimmer

A theoretical approach is proposed to calculate an effective dielectric constant of a matrix disperse system (MDS) of metallic particles (spheres) randomly distributed and embedded in a uniform dielectric medium. Deviations from the…

Soft Condensed Matter · Physics 2019-08-17 L. G. Grechko , K. W. Whites , V. N. Pustovit , V. S. Lysenko