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We investigate an approximate sampling scheme that can significantly reduce the cost scaling of variational Monte Carlo when it is employed to predict the energy differences associated with local chemical changes. Inspired by side-chaining…

Chemical Physics · Physics 2026-03-13 Sonja Bumann , Eric Neuscamman

Neural network parametrizations have increasingly been used to represent the ground and excited states in variational Monte Carlo (VMC) with promising results. However, traditional VMC methods only optimize the wave function in regions of…

Computational Physics · Physics 2025-07-03 Huan Zhang , Robert J. Webber , Michael Lindsey , Timothy C. Berkelbach , Jonathan Weare

Factors models are routinely used to analyze high-dimensional data in both single-study and multi-study settings. Bayesian inference for such models relies on Markov Chain Monte Carlo (MCMC) methods which scale poorly as the number of…

Methodology · Statistics 2025-04-29 Blake Hansen , Alejandra Avalos-Pacheco , Massimiliano Russo , Roberta De Vito

By means of a Quadratic Diffusion Monte Carlo method we have performed a comparative analysis between the Aziz potential and a revised version of it. The results demonstrate that the new potential produces a better description of the…

Condensed Matter · Physics 2009-10-22 J. Boronat , J. Casulleras

A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic…

chem-ph · Physics 2016-08-15 B. Jönsson , C. Peterson , B. Söderberg

Angular Distributions for the target spin-dependent observables A$_{0y}$, A$_{xx}$, and A$_{yy}$ have been measured using polarized proton beams at several energies between 2 and 6 MeV and a spin-exchange optical pumping polarized $^3$He…

Nuclear Experiment · Physics 2015-03-13 T. V. Daniels , C. W. Arnold , J. M. Cesaratto , T. B. Clegg , A. H. Couture , H. J. Karwowski , T. Katabuchi

Multi-level normal hierarchical models, also interpreted as mixed effects models, play an important role in developing statistical theory in multi-parameter estimation for a wide range of applications. In this article, we propose a novel…

Statistics Theory · Mathematics 2025-11-18 Aditi Sen , Masayo Y. Hirose , Partha Lahiri

In this manuscript, we extend the variational multiscale enrichment (VME) method to model the dynamic response of hyperelastic materials undergoing large deformations. This approach enables the simulation of wave propagation under…

Computational Engineering, Finance, and Science · Computer Science 2025-11-19 Abhishek Arora , Caglar Oskay

A two level sampling method is applied to variational Monte Carlo (VMC) that samples the one and two body parts of the wave function separately. The method is demonstrated on a single Li_2 molecule in free space and 32 H_2 molecules in a…

Computational Physics · Physics 2016-09-08 Mark Dewing

Importance sampling (IS) is commonly used for cross validation (CV) in Bayesian models, because it only involves reweighting existing posterior draws without needing to re-estimate the model by re-running Markov chain Monte Carlo (MCMC).…

Computation · Statistics 2025-08-12 Geonhee Han , Andrew Gelman

We discuss a method to construct hadronic scattering and decay amplitudes from Euclidean correlators, by combining the approach of a regulated inverse Laplace transform with the work of Maiani and Testa. Revisiting the original result, we…

High Energy Physics - Lattice · Physics 2021-06-30 Mattia Bruno , Maxwell T. Hansen

The $^6$He+$^{12}$C elastic scattering data at beam energies of 3, 38.3 and 41.6 MeV/nucleon are studied utilizing the microscopic optical potentials obtained by a double-folding procedure and also by using those inherent in the high-energy…

Hierarchical parametric models consisting of observable and latent variables are widely used for unsupervised learning tasks. For example, a mixture model is a representative hierarchical model for clustering. From the statistical point of…

Machine Learning · Statistics 2014-01-24 Keisuke Yamazaki

Recent progress in deep latent variable models has largely been driven by the development of flexible and scalable variational inference methods. Variational training of this type involves maximizing a lower bound on the log-likelihood,…

Machine Learning · Computer Science 2016-06-02 Andriy Mnih , Danilo J. Rezende

We introduce the transition-density formalism, an efficient and general method for calculating the interaction of external probes with light nuclei. One- and two-body transition densities that encode the nuclear structure of the target are…

Nuclear Theory · Physics 2020-12-30 Harald W. Griesshammer , Judith A. McGovern , Andreas Nogga , Daniel R. Phillips

We consider the process of muon-electron elastic scattering, which has been proposed as an ideal framework to measure the running of the electromagnetic coupling constant at space-like momenta and determine the leading-order hadronic…

High Energy Physics - Phenomenology · Physics 2019-03-05 Massimo Alacevich , Carlo M. Carloni Calame , Mauro Chiesa , Guido Montagna , Oreste Nicrosini , Fulvio Piccinini

This paper extends the Multilevel Monte Carlo variance reduction technique to nonlinear filtering. In particular, Multilevel Monte Carlo is applied to a certain variant of the particle filter, the Ensemble Transform Particle Filter. A key…

Numerical Analysis · Mathematics 2016-02-24 Alastair Gregory , Colin Cotter , Sebastian Reich

Bayesian analyses combine information represented by different terms in a joint Bayesian model. When one or more of the terms is misspecified, it can be helpful to restrict the use of information from suspect model components to modify…

Methodology · Statistics 2022-06-27 Xuejun Yu , David J. Nott , Michael Stanley Smith

A statistical learning approach for parametric PDEs related to Uncertainty Quantification is derived. The method is based on the minimization of an empirical risk on a selected model class and it is shown to be applicable to a broad range…

Numerical Analysis · Mathematics 2020-01-07 Martin Eigel , Reinhold Schneider , Philipp Trunschke , Sebastian Wolf

Variational Autoencoders (VAEs) are a popular generative model, but one in which conditional inference can be challenging. If the decomposition into query and evidence variables is fixed, conditional VAEs provide an attractive solution. To…

Machine Learning · Statistics 2018-10-05 Ga Wu , Justin Domke , Scott Sanner
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