skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Umbrella sampling: a powerful method to sample tails of distributions

Journal Article · · Monthly Notices of the Royal Astronomical Society
 [1];  [1];  [2];  [3]
  1. Department of Statistics, and James Frank Institute, The University of Chicago, Chicago IL 60637
  2. Department of Astronomy & Astrophysics, and Kavli Institute for Cosmological Physics, University of Chicago, Chicago IL 60637, Enrico Fermi Institute, The University of Chicago, Chicago, IL 60637, USA
  3. Theoretical Astrophysics Division, Fermi National Laboratory, Batavia, IL, USA, Leadership Computing Facility, Argonne National Laboratory, Argonne, IL, 60439, USA

Here, we present the umbrella sampling (US) technique and show that it can be used to sample extremely low probability areas of the posterior distribution that may be required in statistical analyses of data. In this approach sampling of the target likelihood is split into sampling of multiple biased likelihoods confined within individual umbrella windows. We show that the US algorithm is efficient and highly parallel and that it can be easily used with other existing MCMC samplers. The method allows the user to capitalize on their intuition and define umbrella windows and increase sampling accuracy along specific directions in the parameter space. Alternatively, one can define umbrella windows using an approach similar to parallel tempering. We provide a public code that implements umbrella sampling as a standalone python package. We present a number of tests illustrating the power of the US method in sampling low probability areas of the posterior and show that this ability allows a considerably more robust sampling of multi-modal distributions compared to the standard sampling methods. We also present an application of the method in a real world example of deriving cosmological constraints using the supernova type Ia data. We show that umbrella sampling can sample the posterior accurately down to the ≈15σ credible region in the Ωm–ΩΛ plane, while for the same computational work the affine-invariant MCMC sampling implemented in the emcee code samples the posterior reliably only to ≈3σ.

Research Organization:
Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
Grant/Contract Number:
AC02-06CH11347; SC0014205; AC02-07CH11359
OSTI ID:
1465882
Alternate ID(s):
OSTI ID: 1497716
Report Number(s):
arXiv:1712.05024; FERMILAB-PUB-17-691-A
Journal Information:
Monthly Notices of the Royal Astronomical Society, Journal Name: Monthly Notices of the Royal Astronomical Society Vol. 480 Journal Issue: 3; ISSN 0035-8711
Publisher:
Oxford University PressCopyright Statement
Country of Publication:
United Kingdom
Language:
English
Citation Metrics:
Cited by: 13 works
Citation information provided by
Web of Science

References (33)

Ensemble samplers with affine invariance journal January 2010
MOST 1.6 EARTH-RADIUS PLANETS ARE NOT ROCKY journal March 2015
Estimating the evidence - a review journal January 2012
Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling journal February 1977
Dark Energy and the Accelerating Universe journal September 2008
Simulating normalizing constants: from importance sampling to bridge sampling to path sampling journal May 1998
Handbook of Markov Chain Monte Carlo book May 2011
Energetics of ion conduction through the K+ channel journal November 2001
The Jeffreys–Lindley paradox and discovery criteria in high energy physics journal July 2014
The Hubble Constant journal August 2010
Inferring the Eccentricity Distribution journal December 2010
Self-Learning Adaptive Umbrella Sampling Method for the Determination of Free Energy Landscapes in Multiple Dimensions journal March 2013
Supernova Cosmology: Legacy and Future journal November 2011
emcee : The MCMC Hammer
  • Foreman-Mackey, Daniel; Hogg, David W.; Lang, Dustin
  • Publications of the Astronomical Society of the Pacific, Vol. 125, Issue 925 https://doi.org/10.1086/670067
journal March 2013
Hierarchical analysis of gravitational-wave measurements of binary black hole spin–orbit misalignments journal July 2017
The clustering of galaxies in the completed SDSS-III Baryon Oscillation Spectroscopic Survey: cosmological analysis of the DR12 galaxy sample journal March 2017
Statistically optimal analysis of samples from multiple equilibrium states journal September 2008
CosmoSIS: Modular cosmological parameter estimation journal September 2015
First-principles calculation of the folding free energy of a three-helix bundle protein journal July 1995
Using Spin to Understand the Formation of LIGO and Virgo’s Black Holes journal February 2018
Exoplanet Population Inference and the Abundance of Earth Analogs from Noisy, Incomplete Catalogs journal October 2014
Planck 2015 results : XIII. Cosmological parameters journal September 2016
Marginal evidence for cosmic acceleration from Type Ia supernovae journal October 2016
Observational Evidence from Supernovae for an Accelerating Universe and a Cosmological Constant journal September 1998
Cosmic Complementarity: Joint Parameter Estimation from Cosmic Microwave Background Experiments and Redshift Surveys journal June 1999
Markov Chain Monte Carlo Methods for Bayesian Data Analysis in Astronomy journal August 2017
A more efficient approach to parallel-tempered Markov-chain Monte Carlo for the highly structured posteriors of gravitational-wave signals journal July 2014
Parallel tempering: Theory, applications, and new perspectives journal January 2005
Measurements of Ω and Λ from 42 High‐Redshift Supernovae journal June 1999
Eigenvector method for umbrella sampling enables error analysis journal August 2016
Monte Carlo sampling methods using Markov chains and their applications journal April 1970
Improved cosmological constraints from a joint analysis of the SDSS-II and SNLS supernova samples journal August 2014
Parameter estimation on gravitational waves from multiple coalescing binaries journal April 2010

Similar Records

Umbrella sampling: a powerful method to sample tails of distributions
Journal Article · Thu Nov 01 00:00:00 EDT 2018 · Monthly Notices of the Royal Astronomical Society · OSTI ID:1465882

nautilus : boosting Bayesian importance nested sampling with deep learning
Journal Article · Wed Aug 16 00:00:00 EDT 2023 · Monthly Notices of the Royal Astronomical Society · OSTI ID:1465882

Implementation of a practical Markov chain Monte Carlo sampling algorithm in PyBioNetFit
Journal Article · Wed Jan 05 00:00:00 EST 2022 · Bioinformatics · OSTI ID:1465882