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Title: Accelerating Asymptotically Exact MCMC for Computationally Intensive Models via Local Approximations

Abstract

We construct a new framework for accelerating Markov chain Monte Carlo in posterior sampling problems where standard methods are limited by the computational cost of the likelihood, or of numerical models embedded therein. Our approach introduces local approximations of these models into the Metropolis–Hastings kernel, borrowing ideas from deterministic approximation theory, optimization, and experimental design. Previous efforts at integrating approximate models into inference typically sacrifice either the sampler’s exactness or efficiency; our work seeks to address these limitations by exploiting useful convergence characteristics of local approximations. We prove the ergodicity of our approximate Markov chain, showing that it samples asymptotically from the exact posterior distribution of interest. We describe variations of the algorithm that employ either local polynomial approximations or local Gaussian process regressors. Our theoretical results reinforce the key observation underlying this article: when the likelihood has some local regularity, the number of model evaluations per Markov chain Monte Carlo (MCMC) step can be greatly reduced without biasing the Monte Carlo average. Numerical experiments demonstrate multiple order-of-magnitude reductions in the number of forward model evaluations used in representative ordinary differential equation (ODE) and partial differential equation (PDE) inference problems, with both synthetic and real data. Supplementary materials for thismore » article are available online.« less

Authors:
 [1];  [1];  [2];  [3]
  1. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Aeronautics and Astronautics
  2. Harvard Univ., Cambridge, MA (United States). Dept. of Statistics
  3. Univ. of Ottawa, Ottawa (Canada). Dept. of Mathematics and Statistics
Publication Date:
Research Org.:
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1535376
Grant/Contract Number:  
SC0007099
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the American Statistical Association
Additional Journal Information:
Journal Volume: 111; Journal Issue: 516; Journal ID: ISSN 0162-1459
Publisher:
Taylor & Francis
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; Mathematics

Citation Formats

Conrad, Patrick R., Marzouk, Youssef M., Pillai, Natesh S., and Smith, Aaron. Accelerating Asymptotically Exact MCMC for Computationally Intensive Models via Local Approximations. United States: N. p., 2015. Web. doi:10.1080/01621459.2015.1096787.
Conrad, Patrick R., Marzouk, Youssef M., Pillai, Natesh S., & Smith, Aaron. Accelerating Asymptotically Exact MCMC for Computationally Intensive Models via Local Approximations. United States. https://doi.org/10.1080/01621459.2015.1096787
Conrad, Patrick R., Marzouk, Youssef M., Pillai, Natesh S., and Smith, Aaron. Wed . "Accelerating Asymptotically Exact MCMC for Computationally Intensive Models via Local Approximations". United States. https://doi.org/10.1080/01621459.2015.1096787. https://www.osti.gov/servlets/purl/1535376.
@article{osti_1535376,
title = {Accelerating Asymptotically Exact MCMC for Computationally Intensive Models via Local Approximations},
author = {Conrad, Patrick R. and Marzouk, Youssef M. and Pillai, Natesh S. and Smith, Aaron},
abstractNote = {We construct a new framework for accelerating Markov chain Monte Carlo in posterior sampling problems where standard methods are limited by the computational cost of the likelihood, or of numerical models embedded therein. Our approach introduces local approximations of these models into the Metropolis–Hastings kernel, borrowing ideas from deterministic approximation theory, optimization, and experimental design. Previous efforts at integrating approximate models into inference typically sacrifice either the sampler’s exactness or efficiency; our work seeks to address these limitations by exploiting useful convergence characteristics of local approximations. We prove the ergodicity of our approximate Markov chain, showing that it samples asymptotically from the exact posterior distribution of interest. We describe variations of the algorithm that employ either local polynomial approximations or local Gaussian process regressors. Our theoretical results reinforce the key observation underlying this article: when the likelihood has some local regularity, the number of model evaluations per Markov chain Monte Carlo (MCMC) step can be greatly reduced without biasing the Monte Carlo average. Numerical experiments demonstrate multiple order-of-magnitude reductions in the number of forward model evaluations used in representative ordinary differential equation (ODE) and partial differential equation (PDE) inference problems, with both synthetic and real data. Supplementary materials for this article are available online.},
doi = {10.1080/01621459.2015.1096787},
journal = {Journal of the American Statistical Association},
number = 516,
volume = 111,
place = {United States},
year = {Wed Oct 21 00:00:00 EDT 2015},
month = {Wed Oct 21 00:00:00 EDT 2015}
}

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Works referenced in this record:

Local Derivative-Free Approximation of Computationally Expensive Posterior Densities
journal, April 2012

  • Bliznyuk, Nikolay; Ruppert, David; Shoemaker, Christine A.
  • Journal of Computational and Graphical Statistics, Vol. 21, Issue 2
  • DOI: 10.1080/10618600.2012.681255

Markov chain Monte Carlo Using an Approximation
journal, December 2005

  • Christen, J. Andrés; Fox, Colin
  • Journal of Computational and Graphical Statistics, Vol. 14, Issue 4
  • DOI: 10.1198/106186005X76983

Multivariate Adaptive Regression Splines
journal, March 1991


Bayesian Calibration and Uncertainty Analysis for Computationally Expensive Models Using Optimization and Radial Basis Function Approximation
journal, June 2008

  • Bliznyuk, Nikolay; Ruppert, David; Shoemaker, Christine
  • Journal of Computational and Graphical Statistics, Vol. 17, Issue 2
  • DOI: 10.1198/106186008X320681

Spline-Based Emulators for Radiative Shock Experiments With Measurement Error
journal, June 2013

  • Chakraborty, Avishek; Mallick, Bani K.; Mcclarren, Ryan G.
  • Journal of the American Statistical Association, Vol. 108, Issue 502
  • DOI: 10.1080/01621459.2013.770688

Approximation of Bayesian Inverse Problems for PDEs
journal, January 2010

  • Cotter, S. L.; Dashti, M.; Stuart, A. M.
  • SIAM Journal on Numerical Analysis, Vol. 48, Issue 1
  • DOI: 10.1137/090770734

Bayesian Computation Using Design of Experiments-Based Interpolation Technique
journal, August 2012


MCMC Methods for Functions: Modifying Old Algorithms to Make Them Faster
journal, August 2013

  • Cotter, S. L.; Roberts, G. O.; Stuart, A. M.
  • Statistical Science, Vol. 28, Issue 3
  • DOI: 10.1214/13-STS421

Smoothing by Local Regression: Principles and Methods
book, January 1996


Introduction to Derivative-Free Optimization
book, January 2009


Trust Region Methods
book, January 2000

  • Conn, Andrew R.; Gould, Nicholas I. M.; Toint, Philippe L.
  • MOS-SIAM Series on Optimization
  • DOI: 10.1137/1.9780898719857

High-Order Collocation Methods for Differential Equations with Random Inputs
journal, January 2005

  • Xiu, Dongbin; Hesthaven, Jan S.
  • SIAM Journal on Scientific Computing, Vol. 27, Issue 3
  • DOI: 10.1137/040615201

Adaptive Construction of Surrogates for the Bayesian Solution of Inverse Problems
journal, January 2014

  • Li, Jinglai; Marzouk, Youssef M.
  • SIAM Journal on Scientific Computing, Vol. 36, Issue 3
  • DOI: 10.1137/130938189

Adaptive Smolyak Pseudospectral Approximations
journal, January 2013

  • Conrad, Patrick R.; Marzouk, Youssef M.
  • SIAM Journal on Scientific Computing, Vol. 35, Issue 6
  • DOI: 10.1137/120890715

Approximate Bayesian computational methods
journal, October 2011

  • Marin, Jean-Michel; Pudlo, Pierre; Robert, Christian P.
  • Statistics and Computing, Vol. 22, Issue 6
  • DOI: 10.1007/s11222-011-9288-2

Stochastic spectral methods for efficient Bayesian solution of inverse problems
journal, June 2007

  • Marzouk, Youssef M.; Najm, Habib N.; Rahn, Larry A.
  • Journal of Computational Physics, Vol. 224, Issue 2
  • DOI: 10.1016/j.jcp.2006.10.010

Uncertainty Quantification and Weak Approximation of an Elliptic Inverse Problem
journal, January 2011

  • Dashti, M.; Stuart, A. M.
  • SIAM Journal on Numerical Analysis, Vol. 49, Issue 6
  • DOI: 10.1137/100814664

Preconditioning Markov Chain Monte Carlo Simulations Using Coarse-Scale Models
journal, January 2006

  • Efendiev, Y.; Hou, T.; Luo, W.
  • SIAM Journal on Scientific Computing, Vol. 28, Issue 2
  • DOI: 10.1137/050628568

Local Gaussian Process Approximation for Large Computer Experiments
journal, April 2015

  • Gramacy, Robert B.; Apley, Daniel W.
  • Journal of Computational and Graphical Statistics, Vol. 24, Issue 2
  • DOI: 10.1080/10618600.2014.914442

The pseudo-marginal approach for efficient Monte Carlo computations
journal, April 2009

  • Andrieu, Christophe; Roberts, Gareth O.
  • The Annals of Statistics, Vol. 37, Issue 2
  • DOI: 10.1214/07-AOS574

Sparse pseudospectral approximation method
journal, July 2012

  • Constantine, Paul G.; Eldred, Michael S.; Phipps, Eric T.
  • Computer Methods in Applied Mechanics and Engineering, Vol. 229-232
  • DOI: 10.1016/j.cma.2012.03.019

A Stochastic Collocation Approach to Bayesian Inference in Inverse Problems
journal, January 2009


Robust Locally Weighted Regression and Smoothing Scatterplots
journal, December 1979


The Design and Analysis of Computer Experiments
book, January 2003


Bayesian calibration of computer models
journal, August 2001

  • Kennedy, Marc C.; O'Hagan, Anthony
  • Journal of the Royal Statistical Society: Series B (Statistical Methodology), Vol. 63, Issue 3
  • DOI: 10.1111/1467-9868.00294

Bayesian inverse problems with Monte Carlo forward models
journal, February 2013

  • Marzouk, Youssef; Langmore, Ian; Bal, Guillaume
  • Inverse Problems and Imaging, Vol. 7, Issue 1
  • DOI: 10.3934/ipi.2013.7.81

A Sparse Grid Stochastic Collocation Method for Partial Differential Equations with Random Input Data
journal, January 2008

  • Nobile, F.; Tempone, R.; Webster, C. G.
  • SIAM Journal on Numerical Analysis, Vol. 46, Issue 5
  • DOI: 10.1137/060663660

Approximating likelihoods for large spatial data sets
journal, May 2004

  • Stein, Michael L.; Chi, Zhiyi; Welty, Leah J.
  • Journal of the Royal Statistical Society: Series B (Statistical Methodology), Vol. 66, Issue 2
  • DOI: 10.1046/j.1369-7412.2003.05512.x

Efficient MCMC Schemes for Computationally Expensive Posterior Distributions
journal, February 2011


Convergence of adaptive and interacting Markov chain Monte Carlo algorithms
journal, December 2011

  • Fort, G.; Moulines, E.; Priouret, P.
  • The Annals of Statistics, Vol. 39, Issue 6
  • DOI: 10.1214/11-AOS938

Construction of a genetic toggle switch in Escherichia coli
journal, January 2000

  • Gardner, Timothy S.; Cantor, Charles R.; Collins, James J.
  • Nature, Vol. 403, Issue 6767
  • DOI: 10.1038/35002131

Design and Analysis of Computer Experiments
journal, November 1989

  • Sacks, Jerome; Welch, William J.; Mitchell, Toby J.
  • Statistical Science, Vol. 4, Issue 4
  • DOI: 10.1214/ss/1177012413

An Adaptive Metropolis Algorithm
journal, April 2001

  • Haario, Heikki; Saksman, Eero; Tamminen, Johanna
  • Bernoulli, Vol. 7, Issue 2
  • DOI: 10.2307/3318737

Parameter and State Model Reduction for Large-Scale Statistical Inverse Problems
journal, January 2010

  • Lieberman, Chad; Willcox, Karen; Ghattas, Omar
  • SIAM Journal on Scientific Computing, Vol. 32, Issue 5
  • DOI: 10.1137/090775622

General state space Markov chains and MCMC algorithms
journal, January 2004


Data Assimilation: A Mathematical Introduction
book, January 2015


Statistical inverse problems: Discretization, model reduction and inverse crimes
journal, January 2007

  • Kaipio, Jari; Somersalo, Erkki
  • Journal of Computational and Applied Mathematics, Vol. 198, Issue 2
  • DOI: 10.1016/j.cam.2005.09.027

Design and analysis of computer experiments
conference, September 1998

  • Booker, Andrew
  • 7th AIAA/USAF/NASA/ISSMO Symposium on Multidisciplinary Analysis and Optimization
  • DOI: 10.2514/6.1998-4757

The Design and Analysis of Computer Experiments
book, January 2018


Design and analysis of computer experiments
journal, December 2010


Local Gaussian Process Approximation for Large Computer Experiments
text, January 2015


Data Assimilation
book, January 2016


Local Gaussian process approximation for large computer experiments
text, January 2015


Stochastic spectral methods for efficient Bayesian solution of inverse problems
conference, January 2005

  • Marzouk, Youssef M.
  • BAYESIAN INFERENCE AND MAXIMUM ENTROPY METHODS IN SCIENCE AND ENGINEERING: 25th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering, AIP Conference Proceedings
  • DOI: 10.1063/1.2149785

The pseudo-marginal approach for efficient Monte Carlo computations
text, January 2009


MCMC Methods for Functions: Modifying Old Algorithms to Make Them Faster
text, January 2012


Adaptive Smolyak Pseudospectral Approximations
preprint, January 2012


Bayesian treed Gaussian process models with an application to computer modeling
preprint, January 2007


Uncertainty quantification and weak approximation of an elliptic inverse problem
preprint, January 2011


Austerity in MCMC Land: Cutting the Metropolis-Hastings Budget
preprint, January 2013


Works referencing / citing this record:

A transport-based multifidelity preconditioner for Markov chain Monte Carlo
journal, November 2019


Deterministic Sampling of Expensive Posteriors Using Minimum Energy Designs
text, January 2019


Deterministic Sampling of Expensive Posteriors Using Minimum Energy Designs
text, January 2019


Deterministic Sampling of Expensive Posteriors Using Minimum Energy Designs
journal, March 2019


Bayesian Estimation for Stochastic Gene Expression Using Multifidelity Models
journal, February 2019

  • Vo, Huy D.; Fox, Zachary; Baetica, Ania
  • The Journal of Physical Chemistry B, Vol. 123, Issue 10
  • DOI: 10.1021/acs.jpcb.8b10946

Deterministic Sampling of Expensive Posteriors Using Minimum Energy Designs
text, January 2018


A transport-based multifidelity preconditioner for Markov chain Monte Carlo
preprint, January 2018