Publications

Joy Mueller, Khachik Sargsyan, Craig Daniels, Habib N. Najm. Polynomial Chaos Surrogate Construction for Random Fields with Parametric Uncertainty. SIAM/ASA Journal on Uncertainty Quantification, 2024.

Farid Ghahari, Khachik Sargsyan, Ertugrul Taciroglu. Quantification of Modeling Uncertainty in the Rayleigh Damping Model. Earthquake Engineering & Structural Dynamics, 2024.

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S. Farid Ghahari, Khachik Sargsyan, Grace Parker, Daniel Swensen, Mehmet Çelebi, Hamid Haddadi, Ertugrul Taciroglu. Performance-Based Earthquake Early Warning for Tall Buildings. Earthquake Spectra, 2024.

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Joshua Hudson, Marta D'Elia, Habib N. Najm, Khachik Sargsyan. Measuring Stiffness in Residual Neural Networks. RAMSES: Reduced order models; Approximation theory; Machine learning; Surrogates, Emulators and Simulators, 2024.

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Katrín Blöndal, Kirk Badger, Khachik Sargsyan, David H. Bross, Branko Ruscic, C. Franklin Goldsmith. Importance Sampling within Configuration Space Integration for Adsorbate Thermophysical Properties: A Case Study for CH3/Ni(111). Phys. Chem. Chem. Phys., 2024.

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Wenbo Zhou, Liujing Zhang, Aleksey Sheshukov, Jingfeng Wang, Modi Zhu, Khachik Sargsyan, Donghui Xu, Desheng Liu, Tianqi Zhang, Valeriy Mazepa, Alexandr Sokolov, Victor Valdayskikh, Valeriy Ivanov. Ground Heat Flux Reconstruction Using Bayesian Uncertainty Quantification Machinery and Surrogate Modeling. Earth and Space Science, 2024.

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Logan Williams, Khachik Sargsyan, Andrew Rohskopf, Habib N. Najm. Active Learning for SNAP Interatomic Potentials via Bayesian Predictive Uncertainty. Computational Materials Science, 2024.

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Joy Mueller, Khachik Sargsyan, Habib N. Najm. Polynomial Chaos Surrogate Construction for Stochastic Models with Parametric Uncertainty. 14th International Conference on Applications of Statistics and Probability in Civil Engineering (ICASP14), Dublin, Ireland, 2023.

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Joshua Hudson, Marta D'Elia, Habib N. Najm, Khachik Sargsyan. The Role of Stiffness in Training and Generalization of ResNets. Journal of Machine Learning for Modeling and Computing, 2023.

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Matthew Johnson, Maciej Gierada, Eric D. Hermes, David H. Bross, Khachik Sargsyan, Habib N. Najm, Judit Zador. Pynta-An Automated Workflow for Calculation of Surface and Gas–Surface Kinetics. Journal of Chemical Information and Modeling, 2023.

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Eva Sinha, Katherine Calvin, Ben Bond-Lamberty, Beth Drewniak, Daniel Ricciuto, Khachik Sargsyan, Yanyan Cheng, Carl Bernacchi, Caitlin E. Moore. Modeling Perennial Bioenergy Crops in the E3SM Land Model (ELMv2). Journal of Advances in Modeling Earth Systems, 2023.

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Pieterjan Robbe, Sophie Blondel, Tiernan Casey, Ane Lasa, Khachik Sargsyan, Brian D. Wirth, Habib N. Najm. Global Sensitivity Analysis of a Coupled Multiphysics Model to Predict Surface Evolution in Fusion Plasma--Surface Interactions. Computational Materials Science, 2023.

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A. Rohskopf, C. Sievers, N. Lubbers, M. A. Cusentino, J. Goff, J. Janssen, M. McCarthy, D. Montes Oca de Zapiain, S. Nikolov, K. Sargsyan, D. Sema, E. Sikorski, L. Williams, A. P. Thompson, M. A. Wood. FitSNAP: Atomistic machine learning with LAMMPS. Journal of Open Source Software, 2023.

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William Pringle, Zachary Burnett, Khachik Sargsyan, Saeed Moghimi, Edward Myers. Efficient Probabilistic Prediction and Uncertainty Quantification of Tropical Cyclone–Driven Storm Tides and Inundation. Artificial Intelligence for the Earth Systems, 2023.

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Katrín Blöndal, Khachik Sargsyan, David Bross, Branko Ruscic, C. Franklin Goldsmith. Configuration Space Integration for Adsorbate Partition Functions: The Effect of Anharmonicity on the Thermophysical Properties of CO–Pt(111) and CH3OH–Cu(111). ACS Catalysis, 2023.

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Pieterjan Robbe, David Andersson, Luc Bonnet, Tiernan Casey, Michael W.D. Cooper, Christopher Matthews, Khachik Sargsyan, Habib N. Najm. Bayesian Calibration with Summary Statistics for the Prediction of Xenon Diffusion in UO2 Nuclear Fuel. Computational Materials Science, 2023.

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Timothy R. Younkin, Khachik Sargsyan, Tiernan Casey, Habib N. Najm, J. M. Canik, D. L. Green, R. P. Doerner, D. Nishijima, M. Baldwin, Jon Drobny, Davide Curreli, Brian D. Wirth. Quantification of the Effect of Uncertainty on Impurity Migration in PISCES-A Simulated with GITR. Nuclear Fusion, 2022.

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Donghui Xu, Gautam Bisht, Khachik Sargsyan, Chang Liao, Ruby L. Leung. Using a Surrogate-Assisted Bayesian Framework to Calibrate the Runoff-Generation Scheme in the Energy Exascale Earth System Model (E3SM) v1. Geoscientific Model Development, 2022.

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Eric D. Hermes, Khachik Sargsyan, Habib N. Najm, Judit Zador. Sella, an Open-Source Automation-Friendly Molecular Saddle Point Optimizer. Journal of Chemical Theory and Computation, 2022.

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S. Farid Ghahari, Khachik Sargsyan, Mehmet Çelebi, Ertugrul Taciroglu. Quantifying Modeling Uncertainty in Simplified Beam Models for Building Response Prediction. Structural Control and Health Monitoring, 2022.

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Khachik Sargsyan, Daniel Ricciuto, Cosmin Safta. Earth System Model Improvement Pipeline via Uncertainty Attribution and Active Learning. 2021.

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Bjarne Kreitz, Khachik Sargsyan, Katrín Blöndal, Emily J. Mazeau, Richard H. West, Gregor D. Wehinger, Thomas Turek, C. Franklin Goldsmith. Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111). JACS Au, 2021.

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Eric D. Hermes, Khachik Sargsyan, Habib N. Najm, Judit Zador. Geometry Optimization Speedup through a Geodesic Approach to Internal Coordinates. The Journal of Chemical Physics, 2021.

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Valeriy Ivanov, Donghui Xu, M. Chase Dwelle, Khachik Sargsyan, Daniel Wright, Nikolaos Katopodes, Jongho Kim, Vinh Ngoc Tran, April Warnock, Simone Fatichi, Paolo Burlando, Enrica Caporali, Pedro Restrepo, Brett Sanders, Molly Chaney, Ana M. B. Nunes, Fernando Nardi, Enrique Vivoni, Erkan Istanbulluoglu, Gautam Bisht, Rafael Bras. Breaking Down the Computational Barriers to Real-Time Urban Flood Forecasting. Geophysical Research Letters, 2021.

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Katrín Blöndal, Khachik Sargsyan, David Bross, Branko Ruscic, C. Franklin Goldsmith. Adsorbate Partition Functions via Phase Space Integration: Quantifying the Effect of Translational Anharmonicity on Thermodynamic Properties. Journal of Physical Chemistry C, 2021.

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Cosmin Safta, Jaideep Ray, Khachik Sargsyan. Characterization of Partially Observed Epidemics through Bayesian Inference: Application to COVID-19. Computational Mechanics, 2020.

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Vinh Ngoc Tran, M. Chase Dwelle, Khachik Sargsyan, Valeriy Ivanov, Kim Jongho. A Novel Modeling Framework to Secure Efficiency and Accuracy in Real-Time Ensemble Flood Forecasting. Water Resources Research, 2020.

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Kevin Carlberg, Sofia Guzzetti, Mohammad Khalil, Khachik Sargsyan. The Network Uncertainty Quantification Method for Uncertainty Propagation in Large-Scale Networks. Unpublished, 2020.

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Eric Hermes, Khachik Sargsyan, Habib N. Najm, Judit Zador. Accelerated Saddle Point Refinement through Full Exploitation of Partial Hessian Diagonalization. Journal of Chemical Theory and Computation, 2019.

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Khachik Sargsyan, Xun Huan, Habib N. Najm. Embedded Model Error Representation for Bayesian Model Calibration. International Journal for Uncertainty Quantification, 2019.

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Prashant Rai, Khachik Sargsyan, Habib N. Najm, So Hirata. Sparse Low Rank Approximation of Potential Energy Surfaces with Applications in Estimation of Anharmonic Zero Point Energies and Frequencies. Journal of Mathematical Chemistry, 2019.

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M. Chase Dwelle, Jongho Kim, Khachik Sargsyan, Valeriy Ivanov. Streamflow, Stomata, and Soil Pits: Sources of Inference for Complex Models with Fast, Robust Uncertainty Quantification. Advances in Water Resources, 2019.

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Prashant Rai, Khachik Sargsyan, Habib N. Najm, So Hirata. Scalable Approximation of Green's Function for Estimation of Anharmonic Energy Corrections. Unpublished, 2019.

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Panagiotis Tsilifis, Xun Huan, Cosmin Safta, Khachik Sargsyan, Guilhem Lacaze, Joseph Oefelein, Habib N. Najm, Roger Ghanem. Compressive Sensing Adaptation for Polynomial Chaos Expansions. Journal of Computational Physics, 2019.

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Ozgur Cekmer, Khachik Sargsyan, Sophie Blondel, Habib N. Najm, David Bernholdt, Brian D. Wirth. Uncertainty Quantification for Incident Helium Flux in Plasma-Exposed Tungsten. International Journal for Uncertainty Quantification, 2018.

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Prashant Rai, Khachik Sargsyan, Habib N. Najm. Compressed Sparse Tensor based Quadrature for Vibrational Quantum Mechanics Integrals. Computer Methods in Applied Mechanics and Engineering, 2018.

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Xun Huan, Cosmin Safta, Khachik Sargsyan, Zachary Vane, Guilhem Lacaze, Joseph Oefelein, Habib N. Najm. Compressive Sensing with Cross-Validation and Stop-Sampling for Sparse Polynomial Chaos Expansions. SIAM/ASA Journal of Uncertainty Quantification, 2018.

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Joseph Kenny, Khachik Sargsyan, Sam Knight, G. Michelogiannakis, Jeremiah Wilke. The Pitfalls of Provisioning Exascale Networks: A Trace Replay Analysis for Understanding Communication Performance. High Performance Computing, 2018.

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Layal Hakim, Guilhem Lacaze, Mohammad Khalil, Khachik Sargsyan, Habib N. Najm, Joseph Oefelein. Probabilistic Parameter Estimation in a 2-Step Chemical Kinetics Model for n-Dodecane Jet Autoignition. Combustion Theory and Modeling, 2018.

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Xun Huan, Cosmin Safta, Khachik Sargsyan, Gianluca Geraci, Michael Eldred, Zachary Vane, Guilhem Lacaze, Joseph Oefelein, Habib N. Najm. Global Sensitivity Analysis and Estimation of Model Error, toward Uncertainty Quantification in Scramjet Computations. AIAA Journal, 2018.

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D. Ricciuto, K. Sargsyan, P. Thornton. The Impact of Parametric Uncertainties on Biogeochemistry in the E3SM Land Model. Journal of Advances in Modeling Earth Systems, 2018.

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Francesco Rizzi, Karla Morris, Khachik Sargsyan, Paul Mycek, Cosmin Safta, Olivier Le Maı̂tre, Omar Knio, Bert Debusschere. Partial Differential Equations Preconditioner Resilient to Soft and Hard Faults. The International Journal of High Performance Computing Applications, 2018.

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Xun Huan, Gianluca Geraci, Cosmin Safta, Michael Eldred, Khachik Sargsyan, Zachary Vane, Joseph Oefelein, Habib N. Najm. Multifidelity Statistical Analysis of Large Eddy Simulations in Scramjet Computations. AIAA SciTech Forum, 2018.

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Francesco Rizzi, Karla Morris, Khachik Sargsyan, Paul Mycek, Cosmin Safta, Olivier Le Maître, Omar Knio, Bert Debusschere. Exploring the Interplay of Resilience and Energy Consumption for a Task-based Partial Differential Equations Preconditioner. Parallel Computing, 2018.

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Natalie A. Griffiths, Paul J. Hanson, Daniel Ricciuto, Colleen M. Iversen, Anna M. Jensen, Avni Malhotra, Karis J. McFarlane, Richard, J. Norby, Khachik Sargsyan, Stephen D. Sebestyen, Xiaoying Shi, Anthony, P. Walker, Eric J. Ward, Jeffrey M. Warren, David J. Weston. Temporal and Spatial Variation in Peatland Carbon Cycling and Implications for Interpreting Responses of an Ecosystem-Scale Warming Experiment. Soil Science Society of America, 2017.

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Prashant Rai, Khachik Sargsyan, Habib N. Najm, Matthew R. Hermes, So Hirata. Low-Rank Canonical-Tensor Decomposition of Potential Energy Surfaces: Application to Grid-based Diagrammatic Vibrational Green's Function Theory. Molecular Physics, 2017.

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Mohammad Khalil, Kenny Chowdhary, Cosmin Safta, Khachik Sargsyan, Habib N. Najm. Inference of Reaction Rate Parameters based on Summary Statistics from Experiments. Proc. Comb. Inst., 2017.

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Paul Mycek, Andres Contreras, Olivier Le Maı̂tre, Khachik Sargsyan, Francesco Rizzi, Karla Morris, Cosmin Safta, Bert Debusschere, Omar Knio. A Resilient Domain Decomposition Polynomial Chaos Solver for Uncertain Elliptic PDEs. Computer Physics Communications, 2017.

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Bert Debusschere, Khachik Sargsyan, Cosmin Safta, Kenny Chowdhary. The Uncertainty Quantification Toolkit (UQTk). Handbook of Uncertainty Quantification, 2017.

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Khachik Sargsyan. Surrogate Models for Uncertainty Propagation and Sensitivity Analysis. Handbook of Uncertainty Quantification, 2017.

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Xun Huan, Cosmin Safta, Khachik Sargsyan, Gianluca Geraci, Michael Eldred, Zachary Vane, Guilhem Lacaze, Joseph Oefelein, Habib N. Najm. Global Sensitivity Analysis and Quantification of Model Error for Large Eddy Simulation in Scramjet Design. 19th AIAA Non-Deterministic Approaches Conference, 2017.

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Paul Mycek, Fransceco Rizzi, Olivier Le Maı̂tre, Khachik Sargsyan, Karla Morris, Cosmin Safta, Bert Debusschere, Omar Knio. Discrete A Priori Bounds for the Detection of Corrupted PDE Solutions in Exascale Computations. SIAM Journal on Scientific Computing, 2017.

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Karla Morris, Francesco Rizzi, Ben Cook, Paul Mycek, Olivier Le Maître, Omar Knio, Khachik Sargsyan, K. Dahlgren, Bert Debusschere. Performance Scaling Variability and Energy Analysis for a Resilient ULFM-based PDE Solver. 7th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), 2016.

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Cosmin Safta, Myra Blaylock, Jeremy Templeton, Stefano Domino, Khachik Sargsyan, Habib N. Najm. Uncertainty Quantification in LES of Channel Flow. International Journal for Numerical Methods in Fluids, 2016.

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Karla Morris, Francesco Rizzi, Khachik Sargsyan, K. Dahlgren, Paul Mycek, Cosmin Safta, Olivier Le Maître, Omar Knio, Bert Debusschere. Scalability of Partial Differential Equations Preconditioner Resilient to Soft and Hard Faults. Proceedings of High Performance Computing: 31st International Conference, ISC High Performance 2016, Frankfurt, Germany, June 19-23, 2016, 2016.

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Francesco Rizzi, Karla Morris, Khachik Sargsyan, Paul Mycek, Cosmin Safta, Bert Debusschere, Olivier Le Maı̂tre, Omar Knio. ULFM-MPI Implementation of a Resilient Task-based Partial Differential Equations Preconditioner. Proceedings of the ACM Workshop on Fault-Tolerance for HPC at Extreme Scale, 2016.

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Francesco Rizzi, Karla Morris, Khachik Sargsyan, Paul Mycek, Cosmin Safta, Olivier LeMaı̂tre, Omar Knio, Bert Debusschere. Partial Differential Equations Preconditioner Resilient to Soft and Hard Faults. 2015 IEEE International Conference on Cluster Computing (CLUSTER), 2015.

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Khachik Sargsyan, Francesco Rizzi, Paul Mycek, Cosmin Safta, Karla Morris, Habib N. Najm, Olivier Le Maître, Omar Knio, Bert Debusschere. Fault Resilient Domain Decomposition Preconditioner for PDEs. SIAM Journal on Scientific Computing, 2015.

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Maher Salloum, Khachik Sargsyan, Reese Jones, Habib N. Najm, Bert Debusschere. Quantifying Sampling Noise and Parametric Uncertainty in Atomistic-to-Continuum Simulations Using Surrogate Models. Multiscale Modeling & Simulation, 2015.

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Cosmin Safta, Daniel Ricciuto, Khachik Sargsyan, Bert Debusschere, Habib N. Najm, Mathew Williams, Peter Thornton. Global Sensitivity Analysis, Probabilistic Calibration, and Predictive Assessment for the Data Assimilation Linked Ecosystem Carbon Model. Geosci. Model Dev., 2015.

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John D. Jakeman, Michael S. Eldred, Khachik Sargsyan. Enhancing l1-Minimization Estimates of Polynomial Chaos Expansions using Basis Selection. Journal of Computational Physics, 2015.

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Jaideep Ray, Z. Hou, M. Huang, Khachik Sargsyan, Laura Swiler. Bayesian Calibration of the Community Land Model using Surrogates. SIAM/ASA Journal on Uncertainty Quantification, 2015.

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Cosmin Safta, Khachik Sargsyan, Habib N. Najm, Kenny Chowdhary, Bert Debusschere, Laura Swiler, Michael Eldred. Probabilistic Methods for Sensitivity Analysis and Calibration of Computer Models in the NASA Challenge Problem. Journal of Aerospace Information Systems, 2015.

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Khachik Sargsyan, Habib N. Najm, Roger Ghanem. On the Statistical Calibration of Physical Models. International Journal of Chemical Kinetics, 2015.

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Cosmin Safta, Khachik Sargsyan, Bert Debusschere, Habib N. Najm. Hybrid Discrete/Continuum Algorithms for Stochastic Reaction Networks. Journal of Computational Physics, 2015.

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Jeremiah Wilke, Joseph Kenny, Martin Drohmann, Khachik Sargsyan. Towards a Universal Toolkit for Quantifying Simulation Error via both Bayesian Inference and Model Reduction Strategies. Workshop on Modeling and Simulation of Systems and Applications (MODSIM), 2014.

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Habib N. Najm, Robert D. Berry, Cosmin Safta, Khachik Sargsyan, Bert Debusschere. Data Free Inference of Uncertain Parameters in Chemical Models. International Journal for Uncertainty Quantification, 2014.

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Cosmin Safta, Kenny Chowdhary, Khachik Sargsyan, Habib N. Najm, Bert Debusschere, Laura Swiler, Michael Eldred. Uncertainty Quantification Methods for Model Calibration, Validation, and Risk Analysis. AIAA-2014-1497, 16-th AIAA Non-Deterministic Approaches Conference, 2014.

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Khachik Sargsyan, Cosmin Safta, Habib N. Najm, Bert Debusschere, Daniel Ricciuto, Peter Thornton. Dimensionality Reduction for Complex Models via Bayesian Compressive Sensing. International Journal of Uncertainty Quantification, 2014.

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Jens Prager, Habib N. Najm, Khachik Sargsyan, Cosmin Safta, William J. Pitz. Uncertainty Quantification of Reaction Mechanisms Accounting for Correlations Introduced by Rate Rules and Fitted Arrhenius Parameters. Combustion and Flame, 2013.

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Jeremiah Wilke, Khachik Sargsyan, Joseph Kenny, Bert Debusschere, Habib N. Najm, Gilbert Hendry. Validation and Uncertainty Assessment of Extreme-Scale HPC Simulation through Bayesian Inference. European Conference on Parallel Processing, 2013.

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Francesco Rizzi, Omar Knio, Habib N. Najm, Bert Debusschere, Khachik Sargsyan, Maher Salloum, Helgi Adalsteinsson. Uncertainty Quantification in MD Simulations. Part II: Inference of Force-Field Parameters. SIAM J. Multiscale Model. Simul, 2012.

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Francesco Rizzi, Omar Knio, Habib N. Najm, Bert Debusschere, Khachik Sargsyan, Maher Salloum, Helgi Adalsteinsson. Uncertainty Quantification in MD Simulations. Part I: Stochastic Reformulation of the Forward Problem. SIAM J. Multiscale Model. Simul, 2012.

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Khachik Sargsyan, Cosmin Safta, Bert Debusschere, Habib N. Najm. Multiparameter Spectral Representation of Noise-Induced Competence in Bacillus subtilis. IEEE/ACM Trans. Comp. Biol. and Bioinf, 2012.

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Maher Salloum, Khachik Sargsyan, Reese Jones, Bert Debusschere, Habib N. Najm, Helgi Adalsteinsson. A Stochastic Multiscale Coupling Scheme to Account for Sampling Noise in Atomistic-to-Continuum Simulations. Multiscale Modeling & Simulation, 2012.

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Khachik Sargsyan, Cosmin Safta, Bert Debusschere, Habib N. Najm. Uncertainty Quantification given Discontinuous Model Response and a Limited Number of Model Runs. SIAM J. Scientific Computing, 2012.

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Khachik Sargsyan, Cosmin Safta, Robert Berry, Jaideep Ray, Bert Debusschere, Habib N. Najm. Efficient Uncertainty Quantification Methodologies for High-Dimensional Climate Land Models. 2011.

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Mridul Kalita, Khachik Sargsyan, B. Tian, A. Paulucci-Holthauzen, Habib N. Najm, Bert Debusschere, Allan Brasier. Sources of Cell-to-Cell Variability in Canonical Nuclear Factor-κB (NF-κB) Signaling Pathway Inferred from Single Cell Dynamic Images. Journal of Biological Chemistry, 2011.

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Cosmin Safta, Jaideep Ray, Khachik Sargsyan, Sofia Lefantzi, D. Crary, K. Cheng. Real-Time Characterization of Partially Observed Epidemics using Surrogate Models. 2011.

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Jonathan Frank, M. Lawson, Khachik Sargsyan, Bert Debusschere, Habib N. Najm. Uncertainty Quantification of Cinematic Imaging for Development of Predictive Simulations of Turbulent Combustion. 2010.

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Khachik Sargsyan, Bert Debusschere, Habib N. Najm, Olivier Le Maître. Spectral Representation and Reduced Order Modeling of the Dynamics of Stochastic Reaction Networks via Adaptive Data Partitioning. SIAM Journal on Scientific Computing, 2010.

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Khachik Sargsyan, Cosmin Safta, Bert Debusschere, Habib N. Najm. Uncertainty Quantification in the Presence of Limited Climate Model Data with Discontinuities. ICDMW ‘09: Proceedings of the 2009 IEEE International Conference on Data Mining Workshops, 2009.

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Khachik Sargsyan, Bert Debusschere, Habib N. Najm, Y. Marzouk. Bayesian Inference of Spectral Expansions for Predictability Assessment in Stochastic Reaction Networks. J. Comput. Theor. Nanosci., 2009.

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Khachik Sargsyan. Mean First Passage Times in the Near-Continuum Limit of Birth-Death Processes. University of Michigan, 2007.

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Charles R. Doering, Khachik Sargsyan, Leonard M. Sander, Eric Vanden-Eijnden. Asymptotics of Rare Events in Birth Death Processes Bypassing the Exact Solutions. Journal of Physics Condensed Matter, 2007.

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Charles R. Doering, Khachik Sargsyan, Leonard M. Sander. Extinction Times for Birth-Death Processes: Exact Results, Continuum Asymptotics, and the Failure of the Fokker-Planck Approximation. Multiscale Modeling and Simulation, 2006.

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Charles R. Doering, Khachik Sargsyan, Peter Smereka. A Numerical Method for Some Stochastic Differential Equations with Multiplicative Noise. Physics Letters A, 2005.

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Khachik Sargsyan. Fluctuations in Chemical Reactions in a Large Volume. GFD Program Proceedings, 2005.

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