English
Related papers

Related papers: Inverse method for determining general molecular w…

200 papers

A fundamental pursuit of microwave metrology is the determination of the characteristic impedance profile of microwave systems. Among other methods, this can be practically achieved by means of time-domain reflectometry (TDR) that measures…

Data Analysis, Statistics and Probability · Physics 2018-04-16 J. R. Rinehart , J. H. Béjanin , T. C. Fraser , M. Mariantoni

Unlike with the energy, which is a scalar property, machine learning (ML) predictions of vector or tensor properties poses the additional challenge of achieving proper invariance (covariance) with respect to molecular rotation. If the…

Chemical Physics · Physics 2025-08-13 Jakub Martinka , Marek Pederzoli , Mario Barbatti , Pavlo O. Dral , Jiří Pittner

We propose a permutation-based method for testing a large collection of hypotheses simultaneously. Our method provides lower bounds for the number of true discoveries in any selected subset of hypotheses. These bounds are simultaneously…

Applications · Statistics 2023-01-30 Angela Andreella , Jesse Hemerik , Wouter Weeda , Livio Finos , Jelle Goeman

Understanding a material's dissipative response is important for their use in many applications, such as adhesion or fracture resistance. In dispersions, the interplay between matrix and inclusions complicates any description. Fractional…

Soft Condensed Matter · Physics 2025-10-31 Elina Gilbert , Christophe Poulard , Anniina Salonen

The effect of ambient disorders and sequence heterogeneities on the reptation of a long polymer is studied with the aid of a disordered tube model. The dynamics of a random heteropolymer is found to be much slower than that of a homopolymer…

Soft Condensed Matter · Physics 2009-10-30 D. Cule , T. Hwa

We analyze the Rubinstein-Duke model for polymer reptation by means of density matrix renormalization techniques. We find a crossover behavior for a series of quantities as function of the polymer length. The crossover length may become…

Statistical Mechanics · Physics 2009-10-31 Enrico Carlon , Andrzej Drzewinski , J. M. J. van Leeuwen

Identification-robust hypothesis tests are commonly based on the continuous updating GMM objective function. When the number of moment conditions grows proportionally with the sample size, the large-dimensional weighting matrix prohibits…

Econometrics · Economics 2025-10-10 Tom Boot , Johannes W. Ligtenberg

A procedure for unfolding the true distribution from experimental data is presented. Machine learning methods are applied for simultaneous identification of an apparatus function and solving of an inverse problem. A priori information about…

Data Analysis, Statistics and Probability · Physics 2011-05-26 Nikolai Gagunashvili

Inverse wave scattering aims at determining the properties of an object using data on how the object scatters incoming waves. In order to collect information, sensors are put in different locations to send and receive waves from each other.…

Machine Learning · Computer Science 2026-01-22 Hanyang Jiang , Yuehaw Khoo , Haizhao Yang

Probabilistic Manifold Decomposition (PMD)\cite{doi:10.1137/25M1738863}, developed in our earlier work, provides a nonlinear model reduction by embedding high-dimensional dynamics onto low-dimensional probabilistic manifolds. The PMD has…

Numerical Analysis · Mathematics 2026-01-13 Jiaming Guo , Dunhui Xiao

This paper presents a simple and effective wideband method for the determination of material properties, such as the complex index of refraction and the complex permittivity and permeability. The method is explicit (non-iterative) and…

Instrumentation and Detectors · Physics 2010-12-02 Khattiya Chalapat , Kari Sarvala , Jian Li , G. S. Paraoanu

We consider a one-dimensional directed polymer in a random potential which is characterized by the Gaussian statistics with the finite size local correlations. It is shown that the well-known Kardar's solution obtained originally for a…

Statistical Mechanics · Physics 2009-10-30 S. E. Korshunov , Vik. S. Dotsenko

Ring polymer molecular dynamics (RPMD) is used to directly simulate the dynamics of an excess electron in a supercritical fluid over a broad range of densities. The accuracy of the RPMD model is tested against numerically exact path…

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

A new numerical method is proposed for a 1-D inverse medium scattering problem with multi-frequency data. This method is based on the construction of a weighted cost functional. The weight is a Carleman Weight Function (CWF). In other…

Numerical Analysis · Mathematics 2017-03-24 Michael V. Klibanov , Aleksandr E. Kolesov , Lam Nguyen , Anders Sullivan

Information about size and shape of particles produced in various manufacturing processes is very important for process and product development because design of downstream processes as well as final product properties strongly depend on…

Data Analysis, Statistics and Probability · Physics 2014-11-04 Okpeafoh S. Agimelen , Peter Hamilton , Ian Haley , Alison Nordon , Massimiliano Vasile , Jan Sefcik , Anthony J. Mulholland

We develop three inverse elastic scattering schemes for locating multiple small, extended and multiscale rigid bodies, respectively. There are some salient and promising features of the proposed methods. The cores of those schemes are…

Analysis of PDEs · Mathematics 2013-10-15 Guanghui Hu , Jingzhi Li , Hongyu Liu , Hongpeng Sun

An experimental protocol is developed to directly measure the new material functions revealed by medium amplitude parallel superposition (MAPS) rheology. This experimental protocol measures the medium amplitude response of a material to a…

Soft Condensed Matter · Physics 2022-02-10 Kyle R. Lennon , Michela Geri , Gareth H. McKinley , James W. Swan

We study the volume averaging of inhomogeneous metrics within GR and discuss its shortcomings such as gauge dependence, singular behavior as a result of caustics, and causality violations. To remedy these shortcomings, we suggest some…

Astrophysics · Physics 2015-05-13 Shahram Khosravi , Ehsan Kourkchi , Reza Mansouri

In this work, we present a simple method for the direct retrieval of the effective permittivity and permeability of a bulk semi-infinite metamaterial from variable-angle spectroscopic ellipsometry measurements. Starting from the well-known…

The fixed angle inverse scattering problem for a velocity consists in determining a sound speed, or a Riemannian metric up to diffeomorphism, from measurements obtained by probing the medium with a single plane wave. This is a formally…

Analysis of PDEs · Mathematics 2025-06-10 Lauri Oksanen , Rakesh , Mikko Salo