Constructing Surrogate Models of Complex Systems with Enhanced Sparsity: Quantifying the Influence of Conformational Uncertainty in Biomolecular Solvation

DOI10.1137/140981587zbMath1339.92024arXiv1408.5629OpenAlexW2618422357WikidataQ36449330 ScholiaQ36449330MaRDI QIDQ3459658

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Publication date: 11 January 2016

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1408.5629

zbMATH Keywords

model reductionuncertainty quantificationpolynomial chaosbiomolecular conformation fluctuationcompressive sensing method

Mathematics Subject Classification ID

Statistical mechanics of polymers (82D60) Biochemistry, molecular biology (92C40) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Applications of statistical mechanics to specific types of physical systems (82D99)

Related Items (12)

Data-driven molecular modeling with the generalized Langevin equation ⋮ Adaptive deep density approximation for Fokker-Planck equations ⋮ A General Framework of Rotational Sparse Approximation in Uncertainty Quantification ⋮ A bi-fidelity surrogate modeling approach for uncertainty propagation in three-dimensional hemodynamic simulations ⋮ A locally conservative multiscale method for stochastic highly heterogeneous flow ⋮ Sliced-Inverse-Regression--Aided Rotated Compressive Sensing Method for Uncertainty Quantification ⋮ Calibration of reduced-order model for a coupled Burgers equations based on PC-EnKF ⋮ Sparsity-promoting elastic net method with rotations for high-dimensional nonlinear inverse problem ⋮ A data-driven framework for sparsity-enhanced surrogates with arbitrary mutually dependent randomness ⋮ An adaptive WENO collocation method for differential equations with random coefficients ⋮ Enhancing sparsity of Hermite polynomial expansions by iterative rotations ⋮ Rank adaptive tensor recovery based model reduction for partial differential equations with high-dimensional random inputs

Uses Software

• CVX
• SPGL1
• Smolpack
• PATSYM
• HRMSYM

Cites Work

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