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Hamiltonian Monte-Carlo (HMC) and its auto-tuned variant, the No U-Turn Sampler (NUTS) can struggle to accurately sample distributions with complex geometries, e.g., varying curvature, due to their constant step size for leapfrog…

Computation · Statistics 2024-10-30 Chirag Modi

Hamiltonian Monte Carlo provides efficient Markov transitions at the expense of introducing two free parameters: a step size and total integration time. Because the step size controls discretization error it can be readily tuned to achieve…

Methodology · Statistics 2013-04-09 M. J. Betancourt

There is substantial empirical evidence about the success of dynamic implementations of Hamiltonian Monte Carlo (HMC), such as the No U-Turn Sampler (NUTS), in many challenging inference problems but theoretical results about their behavior…

Computation · Statistics 2024-10-21 Alain Durmus , Samuel Gruffaz , Miika Kailas , Eero Saksman , Matti Vihola

Hamiltonian Monte Carlo (HMC) is a Markov chain Monte Carlo (MCMC) algorithm that avoids the random walk behavior and sensitivity to correlated parameters that plague many MCMC methods by taking a series of steps informed by first-order…

Computation · Statistics 2015-03-19 Matthew D. Hoffman , Andrew Gelman

Adapting the step size locally in the no-U-turn sampler (NUTS) is challenging because the step-size and path-length tuning parameters are interdependent. The determination of an optimal path length requires a predefined step size, while the…

Methodology · Statistics 2025-08-29 Nawaf Bou-Rabee , Bob Carpenter , Tore Selland Kleppe , Milo Marsden

Markov chain Monte Carlo (MCMC) methods have existed for a long time and the field is well-explored. The purpose of MCMC methods is to approximate a distribution through repeated sampling; most MCMC algorithms exhibit asymptotically optimal…

Computation · Statistics 2023-07-13 Fareed Sheriff

We explore the construction of new symplectic numerical integration schemes to be used in Hamiltonian Monte Carlo and study their efficiency. Two integration schemes from Blanes et al. (2014), and a new scheme based on optimal acceptance…

Computation · Statistics 2016-08-26 Janne Mannseth , Tore Selland Kleppe , Hans J. Skaug

The No-U-Turn Sampler (NUTS) is the computational workhorse of modern Bayesian software libraries, yet its qualitative and quantitative convergence guarantees were established only recently. A significant gap remains in the theoretical…

Machine Learning · Statistics 2026-04-15 Samuel Gruffaz , Kyurae Kim , Fares Guehtar , Hadrien Duval-decaix , Pacôme Trautmann

In this work, we introduce the No-Underrun Sampler (NURS), a locally-adaptive, gradient-free Markov chain Monte Carlo method that blends ideas from Hit-and-Run and the No-U-Turn Sampler. NURS dynamically adapts to the local scale of the…

Statistics Theory · Mathematics 2025-02-27 Nawaf Bou-Rabee , Bob Carpenter , Sifan Liu , Stefan Oberdörster

Analysts routinely use Bayesian hierarchical models to understand natural processes. The no-U-turn sampler (NUTS) is the most widely used algorithm to sample high-dimensional, continuously differentiable models. But NUTS is slowed by high…

Computation · Statistics 2026-03-04 Cole C. Monnahan , Kasper Kristensen , James T. Thorson , Bob Carpenter

Sampling from high dimensional distributions is a computational bottleneck in many scientific applications. Hamiltonian Monte Carlo (HMC), and in particular the No-U-Turn Sampler (NUTS), are widely used, yet they struggle on problems with a…

Computation · Statistics 2025-05-20 Jakob Robnik , Reuben Cohn-Gordon , Uroš Seljak

Although the no-u-turn sampler (NUTS) is a widely adopted method for performing Bayesian inference, it requires numerous posterior gradients which can be expensive to compute in practice. Recently, there has been a significant interest in…

Machine Learning · Statistics 2022-09-21 Somayajulu L. N. Dhulipala , Yifeng Che , Michael D. Shields

Markov chain Monte Carlo (MCMC) methods are widely used in machine learning. One of the major problems with MCMC is the question of how to design chains that mix fast over the whole state space; in particular, how to select the parameters…

Machine Learning · Computer Science 2019-07-16 Kiarash Shaloudegi , András György

We assess the usefulness of gradient-based samplers, such as the No-U-Turn Sampler (NUTS), by comparison with traditional Metropolis-Hastings algorithms, in tomographic $3 \times 2$ point analyses. Specifically, we use the DES Year 1 data…

Instrumentation and Methods for Astrophysics · Physics 2024-06-10 Arrykrishna Mootoovaloo , Jaime Ruiz-Zapatero , Carlos García-García , David Alonso

When sampling for Bayesian inference, one popular approach is to use Hamiltonian Monte Carlo (HMC) and specifically the No-U-Turn Sampler (NUTS) which automatically decides the end time of the Hamiltonian trajectory. However, HMC and NUTS…

Machine Learning · Computer Science 2022-10-25 Somayajulu L. N. Dhulipala , Yifeng Che , Michael D. Shields

Hamiltonian Monte Carlo (HMC) has been widely adopted in the statistics community because of its ability to sample high-dimensional distributions much more efficiently than other Metropolis-based methods. Despite this, HMC often performs…

Computation · Statistics 2019-11-19 Arya A. Pourzanjani , Linda R. Petzold

It has been widely documented that the sampling and resampling steps in particle filters cannot be differentiated. The {\itshape reparameterisation trick} was introduced to allow the sampling step to be reformulated into a differentiable…

Machine Learning · Statistics 2022-08-10 Conor Rosato , Vincent Beraud , Paul Horridge , Thomas B. Schön , Simon Maskell

In this paper we present a novel implementation of Bayesian CMB component separation. We sample from the full posterior distribution using the No-U-Turn Sampler (NUTS), a gradient-based sampling algorithm. Alongside this, we introduce new…

Cosmology and Nongalactic Astrophysics · Physics 2024-11-19 R. D. P. Grumitt , Luke R. P. Jew , C. Dickinson

Despite the enormous success of Hamiltonian Monte Carlo and related Markov Chain Monte Carlo (MCMC) methods, sampling often still represents the computational bottleneck in scientific applications. Availability of parallel resources can…

Computation · Statistics 2026-01-26 Jakob Robnik , Uroš Seljak

Hamiltonian Monte Carlo (HMC) and its dynamic extensions, such as the No-U-Turn Sampler (NUTS), are powerful Markov chain Monte Carlo methods for sampling from complex, high-dimensional probability distributions. Riemannian manifold…

Computation · Statistics 2026-04-16 Miika Kailas , Matti Vihola , Jonas Wallin
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