DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Efficient gHMC Reconstruction of Contaminant Release History

Abstract

We present a generalized hybrid Monte Carlo (gHMC) method for fast, statistically optimal reconstruction of release histories of reactive contaminants. The approach is applicable to large-scale, strongly nonlinear systems with parametric uncertainties and data corrupted by measurement errors. The use of discrete adjoint equations facilitates numerical implementation of gHMC without putting any restrictions on the degree of nonlinearity of advection-dispersion-reaction equations that are used to describe contaminant transport in the subsurface. To demonstrate the salient features of the proposed algorithm, we identify the spatial extent of a distributed source of contamination from concentration measurements of a reactive solute.

Authors:
; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Stanford Univ., CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1570043
Alternate Identifier(s):
OSTI ID: 1574394; OSTI ID: 1574861
Report Number(s):
PNNL-SA-147257; DOE-STANFORD-0019130-2
Journal ID: ISSN 2296-665X; 149
Grant/Contract Number:  
AC05-76RL01830; SC0019393; SC0019130
Resource Type:
Published Article
Journal Name:
Frontiers in Environmental Science
Additional Journal Information:
Journal Name: Frontiers in Environmental Science Journal Volume: 7; Journal ID: ISSN 2296-665X
Publisher:
Frontiers Research Foundation
Country of Publication:
Switzerland
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; source identification; contaminant transport; hybrid monte carlo; inverse problems; uncertainty quantification; Markov chain Monte Carlo

Citation Formats

Barajas-Solano, David A., Alexander, Francis J., Anghel, Marian, and Tartakovsky, Daniel M. Efficient gHMC Reconstruction of Contaminant Release History. Switzerland: N. p., 2019. Web. doi:10.3389/fenvs.2019.00149.
Barajas-Solano, David A., Alexander, Francis J., Anghel, Marian, & Tartakovsky, Daniel M. Efficient gHMC Reconstruction of Contaminant Release History. Switzerland. https://doi.org/10.3389/fenvs.2019.00149
Barajas-Solano, David A., Alexander, Francis J., Anghel, Marian, and Tartakovsky, Daniel M. Fri . "Efficient gHMC Reconstruction of Contaminant Release History". Switzerland. https://doi.org/10.3389/fenvs.2019.00149.
@article{osti_1570043,
title = {Efficient gHMC Reconstruction of Contaminant Release History},
author = {Barajas-Solano, David A. and Alexander, Francis J. and Anghel, Marian and Tartakovsky, Daniel M.},
abstractNote = {We present a generalized hybrid Monte Carlo (gHMC) method for fast, statistically optimal reconstruction of release histories of reactive contaminants. The approach is applicable to large-scale, strongly nonlinear systems with parametric uncertainties and data corrupted by measurement errors. The use of discrete adjoint equations facilitates numerical implementation of gHMC without putting any restrictions on the degree of nonlinearity of advection-dispersion-reaction equations that are used to describe contaminant transport in the subsurface. To demonstrate the salient features of the proposed algorithm, we identify the spatial extent of a distributed source of contamination from concentration measurements of a reactive solute.},
doi = {10.3389/fenvs.2019.00149},
journal = {Frontiers in Environmental Science},
number = ,
volume = 7,
place = {Switzerland},
year = {Fri Oct 11 00:00:00 EDT 2019},
month = {Fri Oct 11 00:00:00 EDT 2019}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.3389/fenvs.2019.00149

Citation Metrics:
Cited by: 6 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Backward location and travel time probabilities for a decaying contaminant in an aquifer
journal, October 2003


Space-time optimization of groundwater quality sampling networks: GROUNDWATER QUALITY SAMPLING NETWORKS
journal, December 2005

  • Herrera, Graciela S.; Pinder, George F.
  • Water Resources Research, Vol. 41, Issue 12
  • DOI: 10.1029/2004WR003626

Contamination Source Determination in Water Distribution Networks
journal, January 2012

  • Gugat, Martin
  • SIAM Journal on Applied Mathematics, Vol. 72, Issue 6
  • DOI: 10.1137/110859269

Adjoint Sensitivity Analysis for Differential-Algebraic Equations: The Adjoint DAE System and Its Numerical Solution
journal, January 2003

  • Cao, Yang; Li, Shengtai; Petzold, Linda
  • SIAM Journal on Scientific Computing, Vol. 24, Issue 3
  • DOI: 10.1137/S1064827501380630

Comparison of inverse methods for reconstructing the release history of a groundwater contamination source
journal, September 2000

  • Neupauer, Roseanna M.; Borchers, Brian; Wilson, John L.
  • Water Resources Research, Vol. 36, Issue 9
  • DOI: 10.1029/2000WR900176

Adjoint sensitivity analysis for time-dependent partial differential equations with adaptive mesh refinement
journal, July 2004


Simultaneous identification of a contaminant source and hydraulic conductivity via the restart normal-score ensemble Kalman filter
journal, February 2018


Application of inverse methods to contaminant source identification from aquitard diffusion profiles at Dover AFB, Delaware
journal, July 1999

  • Liu, Chongxuan; Ball, William P.
  • Water Resources Research, Vol. 35, Issue 7
  • DOI: 10.1029/1999WR900092

Application of particle methods to reliable identification of groundwater pollution sources
journal, January 1992

  • Bagtzoglou, Amvrossios C.; Dougherty, David E.; Tompson, Andrew F. B.
  • Water Resources Management, Vol. 6, Issue 1
  • DOI: 10.1007/BF00872184

A review of source term estimation methods for atmospheric dispersion events using static or mobile sensors
journal, July 2017


A Second-Order Rosenbrock Method Applied to Photochemical Dispersion Problems
journal, January 1999

  • Verwer, J. G.; Spee, E. J.; Blom, J. G.
  • SIAM Journal on Scientific Computing, Vol. 20, Issue 4
  • DOI: 10.1137/S1064827597326651

Adjoint Implementation of Rosenbrock Methods Applied to Variational Data Assimilation Problems
journal, December 2000

  • Daescu, Dacian; Carmichael, Gregory R.; Sandu, Adrian
  • Journal of Computational Physics, Vol. 165, Issue 2
  • DOI: 10.1006/jcph.2000.6622

Contaminant source identification using semi-supervised machine learning
journal, May 2018


Accelerated Monte Carlo for Optimal Estimation of Time Series
journal, June 2005

  • Alexander, Francis J.; Eyink, Gregory L.; Restrepo, Juan M.
  • Journal of Statistical Physics, Vol. 119, Issue 5-6
  • DOI: 10.1007/s10955-005-3770-1

Markov Chain Monte Carlo in Practice: A Roundtable Discussion
journal, May 1998


Recovering the release history of a groundwater contaminant
journal, January 1994

  • Skaggs, Todd H.; Kabala, Z. J.
  • Water Resources Research, Vol. 30, Issue 1
  • DOI: 10.1029/93WR02656

Application of geostatistical inverse modeling to contaminant source identification at Dover AFB, Delaware
journal, January 2004


Contaminant source localization via Bayesian global optimization
journal, January 2019

  • Pirot, Guillaume; Krityakierne, Tipaluck; Ginsbourger, David
  • Hydrology and Earth System Sciences, Vol. 23, Issue 1
  • DOI: 10.5194/hess-23-351-2019

Estimation of Residual Dense NAPL Mass by Inverse Modeling
journal, January 1994


Forward and backward location probabilities for sorbing solutes in groundwater
journal, July 2004


Recovering the History of a Groundwater Contaminant Plume: Method of Quasi-Reversibility
journal, November 1995

  • Skaggs, Todd H.; Kabala, Z. J.
  • Water Resources Research, Vol. 31, Issue 11
  • DOI: 10.1029/95WR02383

Pollution source identification in heterogeneous porous media
journal, August 2001

  • Atmadja, Juliana; Bagtzoglou, Amvrossios C.
  • Water Resources Research, Vol. 37, Issue 8
  • DOI: 10.1029/2001WR000223

Adjoint method for obtaining backward-in-time location and travel time probabilities of a conservative groundwater contaminant
journal, November 1999

  • Neupauer, Roseanna M.; Wilson, John L.
  • Water Resources Research, Vol. 35, Issue 11
  • DOI: 10.1029/1999WR900190

Discrete Adjoint Sensitivity Analysis of Hybrid Dynamical Systems With Switching
journal, May 2017

  • Zhang, Hong; Abhyankar, Shrirang; Constantinescu, Emil
  • IEEE Transactions on Circuits and Systems I: Regular Papers, Vol. 64, Issue 5
  • DOI: 10.1109/TCSI.2017.2651683

Stochastic analysis of effective rate constant for heterogeneous reactions
journal, December 2003

  • Lichtner, P. C.; Tartakovsky, D. M.
  • Stochastic Environmental Research and Risk Assessment (SERRA), Vol. 17, Issue 6
  • DOI: 10.1007/s00477-003-0163-3

Nonnegative tensor factorization for contaminant source identification
journal, January 2019


Minimum Relative Entropy Inversion: Theory and Application to Recovering the Release History of a Groundwater Contaminant
journal, April 1996

  • Woodbury, Allan D.; Ulrych, Tadeusz J.
  • Water Resources Research, Vol. 32, Issue 9
  • DOI: 10.1029/95WR03818

Identification of release sources in advection–diffusion system by machine learning combined with Green’s function inverse method
journal, August 2018


State of the Art Report on Mathematical Methods for Groundwater Pollution Source Identification
journal, January 2001

  • Atmadja, Juliana; Bagtzoglou, Amvrossios C.
  • Environmental Forensics, Vol. 2, Issue 3
  • DOI: 10.1080/15275920127949