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Enhanced sampling simulations make the computational study of rare events feasible. A large family of such methods crucially depends on the definition of some collective variables (CVs) that could provide a low-dimensional representation of…

Computational Physics · Physics 2026-03-03 Jintu Zhang , Luigi Bonati , Enrico Trizio , Odin Zhang , Yu Kang , TingJun Hou , Michele Parrinello

In recent years, particle-based variational inference (ParVI) methods such as Stein variational gradient descent (SVGD) have grown in popularity as scalable methods for Bayesian inference. Unfortunately, the properties of such methods…

Machine Learning · Statistics 2023-06-02 Louis Sharrock , Christopher Nemeth

Latent variable models (LVMs) represent observed variables by parameterized functions of latent variables. Prominent examples of LVMs for unsupervised learning are probabilistic PCA or probabilistic SC which both assume a weighted linear…

Machine Learning · Computer Science 2023-12-18 Hamid Mousavi , Jakob Drefs , Florian Hirschberger , Jörg Lücke

In this study, an efficient stochastic gradient-free method, the ensemble neural networks (ENN), is developed. In the ENN, the optimization process relies on covariance matrices rather than derivatives. The covariance matrices are…

Machine Learning · Statistics 2019-11-11 Yuntian Chen , Haibin Chang , Meng Jin , Dongxiao Zhang

Common cross-validation (CV) methods like k-fold cross-validation or Monte-Carlo cross-validation estimate the predictive performance of a learner by repeatedly training it on a large portion of the given data and testing on the remaining…

Machine Learning · Computer Science 2021-11-30 Felix Mohr , Jan N. van Rijn

The generation and storage of spin squeezing is an attracting topic in quantum metrology and the foundations of quantum mechanics. The major models to realize the spin squeezing are the one- and two-axis twisting models. Here, we consider a…

Quantum Physics · Physics 2021-03-10 Qing-Shou Tan , Mao Zhang , Yu Chen , Jie-Qiao Liao , Jing Liu

Solving inverse problems without the use of derivatives or adjoints of the forward model is highly desirable in many applications arising in science and engineering. In this paper, we propose a new version of such a methodology, a framework…

Dynamical Systems · Mathematics 2019-10-17 Alfredo Garbuno-Inigo , Franca Hoffmann , Wuchen Li , Andrew M. Stuart

In this paper we propose and analyze a novel multilevel version of Stein variational gradient descent (SVGD). SVGD is a recent particle based variational inference method. For Bayesian inverse problems with computationally expensive…

Numerical Analysis · Mathematics 2024-02-05 Simon Weissmann , Jakob Zech

Langevin Monte Carlo (LMC) is an iterative algorithm used to generate samples from a distribution that is known only up to a normalizing constant. The nonasymptotic dependence of its mixing time on the dimension and target accuracy is…

Machine Learning · Statistics 2020-02-26 Niladri S. Chatterji , Jelena Diakonikolas , Michael I. Jordan , Peter L. Bartlett

A data-driven block thresholding procedure for wavelet regression is proposed and its theoretical and numerical properties are investigated. The procedure empirically chooses the block size and threshold level at each resolution level by…

Statistics Theory · Mathematics 2009-03-31 T. Tony Cai , Harrison H. Zhou

This paper develops a new multivariate control charting method for vector autocorrelated and serially correlated processes. The main idea is to propose a Bayesian multivariate local level model, which is a generalization of the…

Methodology · Statistics 2008-02-05 K. Triantafyllopoulos

This work presents a multilevel variant of Stein variational gradient descent to more efficiently sample from target distributions. The key ingredient is a sequence of distributions with growing fidelity and costs that converges to the…

Numerical Analysis · Mathematics 2021-04-06 Terrence Alsup , Luca Venturi , Benjamin Peherstorfer

For continuous-time linear stochastic dynamical systems driven by Wiener processes, we consider the problem of designing ensemble filters when the observation process is randomly time-sampled. We propose a continuous-discrete McKean--Vlasov…

Optimization and Control · Mathematics 2024-06-21 Aneel Tanwani , Olga Yufereva

We propose the application of iterative regularization for the development of ensemble methods for solving Bayesian inverse problems. In concrete, we construct (i) a variational iterative regularizing ensemble Levenberg-Marquardt method…

Numerical Analysis · Mathematics 2014-06-25 Marco A. Iglesias

This paper investigates the supervised learning problem with observations drawn from certain general stationary stochastic processes. Here by \emph{general}, we mean that many stationary stochastic processes can be included. We show that…

Machine Learning · Statistics 2016-05-11 Hanyuan Hang , Yunlong Feng , Ingo Steinwart , Johan A. K. Suykens

Black-box variational inference performance is sometimes hindered by the use of gradient estimators with high variance. This variance comes from two sources of randomness: Data subsampling and Monte Carlo sampling. While existing control…

Machine Learning · Computer Science 2024-03-11 Xi Wang , Tomas Geffner , Justin Domke

We introduce a new Markov chain Monte Carlo (MCMC) sampler for infinite-dimensional inverse problems. Our new sampler is based on the affine invariant ensemble sampler, which uses interacting walkers to adapt to the covariance structure of…

Computation · Statistics 2023-10-03 Jeremie Coullon , Robert J Webber

Variable selection plays a fundamental role in high-dimensional data analysis. Various methods have been developed for variable selection in recent years. Well-known examples are forward stepwise regression (FSR) and least angle regression…

Methodology · Statistics 2018-02-01 Siliang Gong , Kai Zhang , Yufeng Liu

The Mean Field Variational Bayes (MFVB) method is one of the most computationally efficient techniques for Bayesian inference. However, its use has been restricted to models with conjugate priors or those that require analytical…

Computation · Statistics 2023-05-18 Minh-Ngoc Tran , Paco Tseng , Robert Kohn

High-fidelity simulations are essential for predicting material behavior under high-velocity impact (HVI), but their accuracy depends on material models and parameters that are often calibrated by manual fitting to multiple costly…

Materials Science · Physics 2026-04-01 Rong Jin , Guangyao Wang , Xingsheng Sun
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