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The problem of studying rare events is central to many areas of computer simulations. In a recent paper [Kang, P., et al., Nat. Comput. Sci. 4, 451-460, 2024], we have shown that a powerful way of solving this problem passes through the…

Computational Physics · Physics 2026-03-03 Enrico Trizio , Peilin Kang , Michele Parrinello

In this paper, we introduce a novel, general purpose, technique for faster sampling of nodes over an online social network. Specifically, unlike traditional random walk which wait for the convergence of sampling distribution to a…

Social and Information Networks · Computer Science 2014-11-04 Azade Nazi , Zhuojie Zhou , Saravanan Thirumuruganathan , Nan Zhang , Gautam Das

Molecular simulations are playing an ever increasing role, finding applications in fields as varied as physics, chemistry, biology and material science. However, many phenomena of interest take place on time scales that are out of reach of…

Computational Physics · Physics 2021-10-07 Michele Invernizzi

The indeterminate nature of human motion requires trajectory prediction systems to use a probabilistic model to formulate the multi-modality phenomenon and infer a finite set of future trajectories. However, the inference processes of most…

Computer Vision and Pattern Recognition · Computer Science 2023-04-11 Guangyi Chen , Zhenhao Chen , Shunxing Fan , Kun Zhang

We introduce a novel framework for efficient sampling from complex, unnormalised target distributions by exploiting multiscale dynamics. Traditional score-based sampling methods either rely on learned approximations of the score function or…

Computation · Statistics 2025-11-04 Paula Cordero-Encinar , Andrew B. Duncan , Sebastian Reich , O. Deniz Akyildiz

In this paper, we analyse a proximal method based on the idea of forward-backward splitting for sampling from distributions with densities that are not necessarily smooth. In particular, we study the non-asymptotic properties of the…

Numerical Analysis · Mathematics 2022-01-25 Armin Eftekhari , Luis Vargas , Konstantinos Zygalakis

Temporal point processes offer a powerful framework for sampling from discrete distributions, yet they remain underutilized in existing literature. We show how to construct, for any target multivariate count distribution with…

Computation · Statistics 2026-05-19 Cameron A. Stewart , Maneesh Sahani

We propose a hybrid generative model for efficient sampling of high-dimensional, multimodal probability distributions for Bayesian inference. Traditional Monte Carlo methods, such as the Metropolis-Hastings and Langevin Monte Carlo sampling…

Machine Learning · Statistics 2025-05-14 Hoang Tran , Zezhong Zhang , Feng Bao , Dan Lu , Guannan Zhang

Computing the marginal likelihood or evidence is one of the core challenges in Bayesian analysis. While there are many established methods for estimating this quantity, they predominantly rely on using a large number of posterior samples…

Computation · Statistics 2021-02-26 Eric Chuu , Debdeep Pati , Anirban Bhattacharya

We present a two-stage Metropolis-Hastings algorithm for sampling probabilistic models, whose log-likelihood is computationally expensive to evaluate, by using a surrogate Gaussian Process (GP) model. The key feature of the approach, and…

Machine Learning · Statistics 2021-09-29 Alessio Benavoli , Jason Wyse , Arthur White

A key task in Bayesian statistics is sampling from distributions that are only specified up to a partition function (i.e., constant of proportionality). However, without any assumptions, sampling (even approximately) can be #P-hard, and few…

Machine Learning · Computer Science 2018-12-03 Rong Ge , Holden Lee , Andrej Risteski

Importance sampling is a rare event simulation technique used in Monte Carlo simulations to bias the sampling distribution towards the rare event of interest. By assigning appropriate weights to sampled points, importance sampling allows…

A new method called "variational sampling" is proposed to estimate integrals under probability distributions that can be evaluated up to a normalizing constant. The key idea is to fit the target distribution with an exponential family model…

Computation · Statistics 2013-10-15 Alexis Roche

The development of enhanced sampling methods has greatly extended the scope of atomistic simulations, allowing long-time phenomena to be studied with accessible computational resources. Many such methods rely on the identification of an…

Computational Physics · Physics 2022-06-08 Luigi Bonati , GiovanniMaria Piccini , Michele Parrinello

Langevin dynamics sampling suffers from extremely low generation speed, fundamentally limited by numerous fine-grained iterations to converge to the target distribution. We introduce PID-controlled Langevin Dynamics (PIDLD), a novel…

Machine Learning · Computer Science 2025-11-18 Hongyi Chen , Jianhai Shu , Jingtao Ding , Yong Li , Xiao-Ping Zhang

Numerous variable selection methods rely on a two-stage procedure, where a sparsity-inducing penalty is used in the first stage to predict the support, which is then conveyed to the second stage for estimation or inference purposes. In this…

Applications · Statistics 2015-05-28 Jean-Michel Bécu , Yves Grandvalet , Christophe Ambroise , Cyril Dalmasso

We consider a strong Markov process with killing and prove an approximation method for the distribution of the process conditioned not to be killed when it is observed. The method is based on a Fleming-Viot type particle system with…

Probability · Mathematics 2013-04-04 Denis Villemonais

We study a normalizing flow in the latent space of a top-down generator model, in which the normalizing flow model plays the role of the informative prior model of the generator. We propose to jointly learn the latent space normalizing flow…

Machine Learning · Statistics 2023-01-24 Jianwen Xie , Yaxuan Zhu , Yifei Xu , Dingcheng Li , Ping Li

In computational mechanics, multiple models are often present to describe a physical system. While Bayesian model selection is a helpful tool to compare these models using measurement data, it requires the computationally expensive…

Computation · Statistics 2025-04-14 Subhayan De , Reza Farzad , Patrick T. Brewick , Erik A. Johnson , Steven F. Wojtkiewicz

Cold-start exploration is a core challenge in large-scale recommender systems: new or data-sparse items must receive traffic to estimate value, but over-exploration harms users and wastes impressions. In practice, Thompson Sampling (TS) is…

Machine Learning · Computer Science 2026-02-03 Zhenyu Zhao , David Zhang , Ellie Zhao , Ehsan Saberian