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Capturing data from dynamic processes through cross-sectional measurements is seen in many fields, such as computational biology. Trajectory inference deals with the challenge of reconstructing continuous processes from such observations.…

Machine Learning · Computer Science 2025-03-12 Amartya Banerjee , Harlin Lee , Nir Sharon , Caroline Moosmüller

Ab initio quantum chemical methods for accurately computing interactions between molecules have a wide range of applications but are often computationally expensive. Hence, selecting an appropriate method based on accuracy and computational…

Chemical Physics · Physics 2025-11-25 Austin M. Wallace , C. David Sherrill , Giri P. Krishnan

The selection of optimal designs for generalized linear mixed models is complicated by the fact that the Fisher information matrix, on which most optimality criteria depend, is computationally expensive to evaluate. Our focus is on the…

Methodology · Statistics 2015-09-22 Timothy W. Waite , David C. Woods

We discuss the interpolation of the electric and magnetic fields within a charge-conserving Particle-In-Cell scheme. The choice of the interpolation procedure for the fields acting on a particle can be constrained by analyzing conservation…

Plasma Physics · Physics 2012-09-14 Igor V. Sokolov

We perform an extrapolative analysis of "fast-growth" free-energy-difference (DF) estimates of a computer-modeled, fully-solvated ethane<->methanol transformation. The results suggest that extrapolation can greatly reduce the systematic…

Chemical Physics · Physics 2007-05-23 Daniel M. Zuckerman , Thomas B. Woolf

Together with experimental data, theoretically predicted dipole moments represent a valuable tool for different branches in the chemical and physical sciences. With the diversity of levels of theory and basis sets available, a reliable…

Chemical Physics · Physics 2021-01-27 Juan Camilo Zapata , Laura K. McKemmish

With the great development of parallel computing techniques, the particle-particle (PP) model has been successfully applied in a number of plasma applications. Comparing to particle-mesh (PM) models, for example the widely used…

Plasma Physics · Physics 2025-06-10 Yanan Zhang , Xiaochun Ma , Hui Liu , Yinjian Zhao

We propose an algorithm for molecular dynamics or Monte Carlo simulations that uses an interpolation procedure to estimate potential energy values from energies and gradients evaluated previously at points of a simplicial mesh. We chose an…

Computational Physics · Physics 2020-01-07 Konstantin Karandashev , Jiri Vanicek

Many astrophysical applications require efficient yet reliable forecasts of stellar evolution tracks. One example is population synthesis, which generates forward predictions of models for comparison with observations. The majority of…

Solar and Stellar Astrophysics · Physics 2024-02-16 K. Maltsev , F. R. N. Schneider , F. K. Roepke , A. I. Jordan , G. A. Qadir , W. E. Kerzendorf , K. Riedmiller , P. van der Smagt

Interpolation is a fundamental technique in scientific computing and is at the heart of many scientific visualization techniques. There is usually a trade-off between the approximation capabilities of an interpolation scheme and its…

Mathematical Software · Computer Science 2021-02-18 Joshua Horacsek , Usman Alim

Radial basis functions (RBFs) play an important role in function interpolation, in particular in an arbitrary set of interpolation nodes. The accuracy of the interpolation depends on a parameter called the shape parameter. There are many…

Numerical Analysis · Mathematics 2025-08-27 Maria Han Veiga , Faezeh Nassajian Mojarrad , Fatemeh Nassajian Mojarrad

We have employed the multiple image method to compute the interparticle force for a polydisperse electrorheological (ER) fluid in which the suspended particles can have various sizes and different permittivites. The point-dipole (PD)…

Soft Condensed Matter · Physics 2007-05-23 Y. L. Siu , Jones T. K. Wan , K. W. Yu

Frame interpolation is an essential video processing technique that adjusts the temporal resolution of an image sequence. While deep learning has brought great improvements to the area of video frame interpolation, techniques that make use…

Computer Vision and Pattern Recognition · Computer Science 2022-10-27 Simon Niklaus , Ping Hu , Jiawen Chen

The multigrid algorithm is a multilevel approach to accelerate the numerical solution of discretized differential equations in physical problems involving long-range interactions. Multiresolution analysis of wavelet theory provides an…

Computational Physics · Physics 2007-05-23 D. Yesilleten , T. A. Arias

In this paper we present a second-order and continuous interpolation algorithm for cell-centered adaptive-mesh-refinement (AMR) grids. Continuity requirement poses a non-trivial problem at resolution changes. We develop a classification of…

Computational Physics · Physics 2016-05-04 Dmitry Borovikov , Igor V. Sokolov , Gabor Toth

Approximation/interpolation from spaces of positive definite or conditionally positive definite kernels is an increasingly popular tool for the analysis and synthesis of scattered data, and is central to many meshless methods. For a set of…

Numerical Analysis · Mathematics 2013-09-11 E. Fuselier , T. Hangelbroek , F. J. Narcowich , J. D. Ward , G. B. Wright

A generative model based on a continuous-time normalizing flow between any pair of base and target probability densities is proposed. The velocity field of this flow is inferred from the probability current of a time-dependent density that…

Machine Learning · Computer Science 2023-03-10 Michael S. Albergo , Eric Vanden-Eijnden

Ray tracing is increasingly utilized in wireless system simulations to estimate channel paths. In large-scale simulations with complex environments, ray tracing at high resolution can be computationally demanding. To reduce the computation,…

Signal Processing · Electrical Eng. & Systems 2026-02-02 Ruibin Chen , Jayadev Joy , Yaqi Hu , Mingsheng Yin , Marco Mezzavilla , Sundeep Rangan

We present a model reduction approach that extends the original empirical interpolation method to enable accurate and efficient reduced basis approximation of parametrized nonlinear partial differential equations (PDEs). In the presence of…

Numerical Analysis · Mathematics 2023-09-19 Ngoc Cuong Nguyen , Jaime Peraire

We propose a non grid-based interpolation scheme based on the information from the data collected from the vicinity of the query point. As a non-grid-based interpolation, the data points can be distributed randomly in a small region, and…

Numerical Analysis · Mathematics 2016-09-21 Kai Lin , Wei-Liang Qian
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