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Markov chain Monte Carlo (MCMC) algorithms are used to estimate features of interest of a distribution. The Monte Carlo error in estimation has an asymptotic normal distribution whose multivariate nature has so far been ignored in the MCMC…

Statistics Theory · Mathematics 2016-07-05 Dootika Vats , James M. Flegal , Galin L. Jones

Accurately modeling the correlation structure of errors is critical for reliable uncertainty quantification in probabilistic time series forecasting. While recent deep learning models for multivariate time series have developed efficient…

Machine Learning · Statistics 2024-11-11 Vincent Zhihao Zheng , Lijun Sun

We provide theoretical convergence bounds for the variational Monte Carlo (VMC) method as applied to optimize neural network wave functions for the electronic structure problem. We study both the energy minimization phase and the supervised…

Machine Learning · Computer Science 2025-03-07 Nilin Abrahamsen , Zhiyan Ding , Gil Goldshlager , Lin Lin

In multi-objective design tasks, the computational cost increases rapidly when high-fidelity simulations are used to evaluate objective functions. Surrogate models help mitigate this cost by approximating the simulation output, simplifying…

Applications · Statistics 2025-06-03 Omer F. Erdem , David P. Broughton , Josef Svoboda , Chengkun Huang , Majdi I. Radaideh

We develop a modular approach to Markov chain Monte Carlo (MCMC) sampling for unnormalized target densities. In this approach, Markov chains are constructed in parallel, each constrained to a subset of the target space. The Monte Carlo…

Computation · Statistics 2026-05-05 Joonha Park

Markov chain Monte Carlo (MCMC) is the engine of modern Bayesian statistics, being used to approximate the posterior and derived quantities of interest. Despite this, the issue of how the output from a Markov chain is post-processed and…

Methodology · Statistics 2021-09-07 Leah F. South , Marina Riabiz , Onur Teymur , Chris. J. Oates

Neural Network Variational Monte Carlo (NNVMC) has emerged as a promising paradigm for solving quantum many-body problems by combining variational Monte Carlo with expressive neural-network wave-function ans\"atze. Although NNVMC can…

Hardware Architecture · Computer Science 2026-03-24 Zhengze Xiao , Xuanzhe Ding , Yuyang Lou , Lixue Cheng , Chaojian Li

This paper presents a theoretical overview of a Neural Contraction Metric (NCM): a neural network model of an optimal contraction metric and corresponding differential Lyapunov function, the existence of which is a necessary and sufficient…

Machine Learning · Computer Science 2021-10-05 Hiroyasu Tsukamoto , Soon-Jo Chung , Jean-Jacques Slotine , Chuchu Fan

Reliable predictions of weak rapid neutron capture ($\textit{r}$-process) abundances require a systematic treatment of nuclear physics uncertainties, especially neutron capture rates far from stability. We employ new neutron capture rates…

Variance reduction techniques are of crucial importance for the efficiency of Monte Carlo simulations in finance applications. We propose the use of neural SDEs, with control variates parameterized by neural networks, in order to learn…

Numerical Analysis · Mathematics 2024-02-06 P. D. Hinds , M. V. Tretyakov

The aim of this paper is to describe a new an integrated methodology for project control under uncertainty. This proposal is based on Earned Value Methodology and risk analysis and presents several refinements to previous methodologies.…

Risk Management · Quantitative Finance 2024-06-06 Fernando Acebes , M Pereda , David Poza , Javier Pajares , Jose M Galan

We analyze the accuracy and sample complexity of variational Monte Carlo approaches to simulate the dynamics of many-body quantum systems classically. By systematically studying the relevant stochastic estimators, we are able to: (i) prove…

Quantum Physics · Physics 2023-10-11 Alessandro Sinibaldi , Clemens Giuliani , Giuseppe Carleo , Filippo Vicentini

Autocorrelations in MCMC chains increase the variance of the estimators they produce. We propose the occlusion process to mitigate this problem. It is a process that sits upon an existing MCMC sampler, and occasionally replaces its samples…

Computation · Statistics 2024-11-20 Max Hird , Florian Maire

Multi-view learning leverages correlations between different sources of data to make predictions in one view based on observations in another view. A popular approach is to assume that, both, the correlations between the views and the…

Machine Learning · Computer Science 2014-04-29 Behrouz Behmardi , Cedric Archambeau , Guillaume Bouchard

Variational quantum circuits have become a widely used tool for performing quantum machine learning (QML) tasks on labeled quantum states. In some specific tasks or for specific variational ans\"atze, one may perform measurements on a…

Quantum Physics · Physics 2026-01-14 Andrey Kardashin , Konstantin Antipin

Markov chain Monte Carlo algorithms are used to simulate from complex statistical distributions by way of a local exploration of these distributions. This local feature avoids heavy requests on understanding the nature of the target, but it…

Computation · Statistics 2018-04-12 Christian P. Robert , Victor Elvira , Nick Tawn , Changye Wu

Kinetic equations play a major rule in modeling large systems of interacting particles. Uncertainties may be due to various reasons, like lack of knowledge on the microscopic interaction details or incomplete informations at the boundaries.…

Numerical Analysis · Mathematics 2019-05-01 Giacomo Dimarco , Lorenzo Pareschi

Recently, we and several other authors have written about the possibilities of using stochastic approximation techniques for fitting variational approximations to intractable Bayesian posterior distributions. Naive implementations of…

Computation · Statistics 2014-01-14 Tim Salimans , David A. Knowles

When implementing Markov Chain Monte Carlo (MCMC) algorithms, perturbation caused by numerical errors is sometimes inevitable. This paper studies how perturbation of MCMC affects the convergence speed and Monte Carlo estimation accuracy.…

Computation · Statistics 2026-01-14 Tiangang Cui , Jing Dong , Ajay Jasra , Xin T. Tong

This paper investigates methods for estimating the optimal stochastic control policy for a Markov Decision Process with unknown transition dynamics and an unknown reward function. This form of model-free reinforcement learning comprises…

Machine Learning · Computer Science 2019-12-06 Brandon Trabucco , Albert Qu , Simon Li , Ganeshkumar Ashokavardhanan