Predictive Engineering and Computational Sciences. Local Sensitivity Derivative Enhanced Monte Carlo Methods. Roy H. Stogner, Vikram Garg
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1 PECOS Predictive Engineering and Computational Sciences Local Sensitivity Derivative Enhanced Monte Carlo Methods Roy H. Stogner, Vikram Garg Institute for Computational Engineering and Sciences The University of Texas at Austin Jul 27, 2011 Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
2 Motivation and Notation Uncertainty Quantification of Large Multiphysics Problems Many uncertain, calibrated submodel parameters Computationally expensive forward evaluations Forward uncertainty propagation only of full problem Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
3 Motivation and Notation Motivation and Notation Primal/Forward Problem Parameter value(s) System solution ξ Ξ R Ξ R n ũ(x, t; ξ) U R U Primal weighted residual R(ũ(ξ), v; ξ) 0 v V Quantity of interest functional Q : U R Ξ R R Quantity of interest output q = Q(ũ(ξ), ξ) Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
4 Motivation and Notation Motivation and Notation Primal/Forward Problem Parameter value(s) System solution ξ Ξ R Ξ R n ũ(x, t; ξ) U R U Primal weighted residual R(ũ(ξ), v; ξ) 0 v V Quantity of interest functional Q : U R Ξ R R Quantity of interest output q = Q(ũ(ξ), ξ) Highly nonlinear forward solves Large finite-dimensional parameter space Few quantities of interest Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
5 Motivation and Notation Motivation and Notation Adjoint Problem Adjoint solution z(x, t; ξ) V Adjoint equation R u (ũ, z; ξ)(u) Q u (ũ; ξ)(u) u U Adjoint-based sensitivities dq dξ = Q ξ(ũ; ξ) R ξ (ũ, z; ξ) Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
6 Motivation and Notation Motivation and Notation Adjoint Problem Adjoint solution z(x, t; ξ) V Adjoint equation R u (ũ, z; ξ)(u) Q u (ũ; ξ)(u) u U Adjoint-based sensitivities dq dξ = Q ξ(ũ; ξ) R ξ (ũ, z; ξ) Linear, relatively cheap adjoint solves Free adjoints after goal-oriented refinement, error estimation Cheap quantity of interest derivatives Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
7 Motivation and Notation Motivation and Notation Uncertainty Propagation Problems Input PDF Expected (mean) output Output standard deviation ξ p ξ q E [q] Ξ q(ξ)dp R ξ σ q E [(q q) 2] Output risk P C E [q C q ] Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
8 Motivation and Notation Motivation and Notation Uncertainty Propagation Problems Input PDF Expected (mean) output Output standard deviation ξ p ξ q E [q] Ξ q(ξ)dp R ξ σ q E [(q q) 2] Output risk P C E [q C q ] Integrals in high dimensional spaces Curse of dimensionality leads us to Monte Carlo How can we enhance Monte Carlo? Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
9 Enhanced MC Latin Hypercube Sampling Algorithm Quantiles in each parameter Samples permuted to bins Reducing correlations? Random sample placement within bins Uses Reduces variance from additive components Higher-order convergence for separable functions Incremental, Hierarchic Incremental options Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
10 Enhanced MC Control Variate Known Surrogate Quantity of interest q has correlated surrogate statistic q s Known mean q s E [q s ] c qqs E [(q q)(q s q s )] σ q σ qs Variance-reduced statistic E [q] = E [q αq s ] + E [αq s ] = E [s] s q αq s + α q s σ 2 s = σ 2 q 2αc qqs σ q σ qs + α 2 σ 2 q s Integrating s via MC sampling, α 1, q s q gives σ e[ q] 0. Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
11 Enhanced MC Sensitivity Derivative Enhancement Linear Surrogate Justification: Adjoints are cheap One linearization at input mean Adds one forward, one sensitivity solve q s (ξ) q( ξ) + q ξ ( ξ)(ξ ξ) Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
12 Enhanced MC Local Sensitivity Derivative Enhancement Algorithm Take any input sample set Evaluate forward and adjoint at each Adds one sensitivity solve per sample Linearize around each nearby sample Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
13 Enhanced MC Local Sensitivity Derivative Surrogate Nearest-Neighbor Partition Voronoi cell shapes, complex input PDFs require MC sampling of surrogate Surrogate samples are associated with the nearest true sample O (N s N ss ) naive search cost Search operations (and surrogate evaluation) are much cheaper than true sample evaluation Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
14 Enhanced MC Bias Problem Using every sample to construct surrogate? [ Ns ] E i=1 q(ξ i) q s (ξ i ) = 0 E [ q L] = q L s q May have systemic bias for any problem Huge error for high-dimensional benchmark problems Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
15 Enhanced MC Bias Problem Using every sample to construct surrogate? [ Ns ] E i=1 q(ξ i) q s (ξ i ) = 0 E [ q L] = q L s q May have systemic bias for any problem Huge error for high-dimensional benchmark problems Solution Subdivide sample set (e.g. 2, 4, 8 subsets) Use one subset to construct surrogate, remainder to integrate bias Repeat for all subsets; average. Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
16 Enhanced MC Bias Issues How many subsets? More subsets == larger N, reducing bias error Fewer subsets == smaller σ, reducing bias error Numerical results show dimension dependence What convergence rate to expect? Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
17 Results Visualizing.25 Million Trials Methodology 256 trials per case Dependent variable: mean(abs(error)) 32, 128, 512 true sample evaluations per trial 32, 128, 512 surrogate samples per true sample Statistics: mean, standard deviation Sampling: SRS, HLHS Methods: MC, SDEMC, LSDEMC2/4/8 Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
18 Results e-05 MC+SRS SDEMC+SRS LSDMC2+SRS LSDMC4+SRS LSDMC8+SRS MC+LHS SDEMC+LHS LSDMC2+LHS LSDMC4+LHS LSDMC8+LHS 1e Visualizing.25 Million Trials Methodology 256 trials per case Dependent variable: mean(abs(error)) 32, 128, 512 true sample evaluations per trial 32, 128, 512 surrogate samples per true sample Statistics: mean, standard deviation Sampling: SRS, HLHS Methods: MC, SDEMC, LSDEMC2/4/8 Graph Key Purple: MC, Red: SDEMC Blue/Cyan/Green: LSDEMC2/4/8 Error in Approximated Output Forward UQ Convergence: Mean X: SRS, O: LHS Number of Forward Evaluations Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
19 Results Benchmark Problem: Smooth Normal Lognormal Distribution ξ (ξ 1,...ξ N ) ( ) µ ξ i N N, σ (N q(ξ) e i ξ i q Log-N (µ, σ) µ 1, σ 1 Arbitrary dimensionality N All parameters equally significant Simple analytic exact solution moments Variance, MC error independent of N Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
20 Results 1 Parameter 1 Forward UQ Convergence: Exp Benchmark, Mean MC+SRS SDEMC+SRS LSDEMC2+SRS LSDEMC4+SRS LSDEMC8+SRS MC+LHS SDEMC+LHS LSDEMC2+LHS LSDEMC4+LHS LSDEMC8+LHS Error in Approximated Output Number of Forward Evaluations Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
21 Results 4 Parameters 1 Forward UQ Convergence: Exp Benchmark, Mean MC+SRS SDEMC+SRS LSDEMC2+SRS LSDEMC4+SRS LSDEMC8+SRS MC+LHS SDEMC+LHS LSDEMC2+LHS LSDEMC4+LHS LSDEMC8+LHS Error in Approximated Output Number of Forward Evaluations Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
22 Results 16 Parameters 1 Forward UQ Convergence: Exp Benchmark, Mean MC+SRS SDEMC+SRS LSDEMC2+SRS LSDEMC4+SRS LSDEMC8+SRS MC+LHS SDEMC+LHS LSDEMC2+LHS LSDEMC4+LHS LSDEMC8+LHS Error in Approximated Output Number of Forward Evaluations Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
23 Results 64 Parameters 1 Forward UQ Convergence: Exp Benchmark, Mean MC+SRS SDEMC+SRS LSDEMC2+SRS LSDEMC4+SRS LSDEMC8+SRS MC+LHS SDEMC+LHS LSDEMC2+LHS LSDEMC4+LHS LSDEMC8+LHS Error in Approximated Output Number of Forward Evaluations Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
24 Results Benchmark Problem: C 0 abs Normal Folded Normal Distribution ξ (ξ 1,...ξ N ) ξ i N ( ) µ N, σ (N q(ξ) ξ i i q F N (µ, σ) µ 1, σ 1 Same benefits as previous benchmark Response function now piecewise linear Differentiable except on one hyperplane Derivative defined as 0 there Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
25 Results 1 Parameter Forward UQ Convergence: Abs Benchmark, Mean MC+SRS SDEMC+SRS LSDEMC2+SRS LSDEMC4+SRS LSDEMC8+SRS MC+LHS SDEMC+LHS LSDEMC2+LHS LSDEMC4+LHS LSDEMC8+LHS Error in Approximated Output e Number of Forward Evaluations Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
26 Results 4 Parameters 1 Forward UQ Convergence: Abs Benchmark, Mean MC+SRS SDEMC+SRS LSDEMC2+SRS LSDEMC4+SRS LSDEMC8+SRS MC+LHS SDEMC+LHS LSDEMC2+LHS LSDEMC4+LHS LSDEMC8+LHS Error in Approximated Output Number of Forward Evaluations Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
27 Results 16 Parameters 1 Forward UQ Convergence: Abs Benchmark, Mean MC+SRS SDEMC+SRS LSDEMC2+SRS LSDEMC4+SRS LSDEMC8+SRS MC+LHS SDEMC+LHS LSDEMC2+LHS LSDEMC4+LHS LSDEMC8+LHS Error in Approximated Output Number of Forward Evaluations Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
28 Results 64 Parameters 1 Forward UQ Convergence: Abs Benchmark, Mean MC+SRS SDEMC+SRS LSDEMC2+SRS LSDEMC4+SRS LSDEMC8+SRS MC+LHS SDEMC+LHS LSDEMC2+LHS LSDEMC4+LHS LSDEMC8+LHS Error in Approximated Output Number of Forward Evaluations Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
29 Results Future Improvements Anisotropic Voronoi metric Based on partial Hessian approximation? Smooth (multi-sample-based) surrogate? Questions? Roy H. Stogner, Vikram Garg LSDEMC Jul 27, / 24
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