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Optimization with surrogates

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Optimization with surrogates. Based on cycles. Each consists of sampling design points by simulations, fitting surrogates to simulations and then optimizing an objective. Zooming (This lecture) Construct surrogate, optimize original objective , refine region and surrogate. - PowerPoint PPT Presentation
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Optimization with surrogates • Based on cycles. Each consists of sampling design points by simulations, fitting surrogates to simulations and then optimizing an objective. • Zooming (This lecture) – Construct surrogate, optimize original objective, refine region and surrogate. – Typically small number of cycles with large number of simulations in each cycle. • Adaptive sampling (Lecture on EGO algorithm) – Construct surrogate, add points by taking into account not only surrogate prediction but also uncertainty in prediction. – Most popular, Jones’s EGO (Efficient Global Optimization). – Easiest with one added sample at a time.
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Optimization cycle concept

Optimization with surrogatesBased on cycles. Each consists of sampling design points by simulations, fitting surrogates to simulations and then optimizing an objective.Zooming (This lecture)Construct surrogate, optimize original objective, refine region and surrogate.Typically small number of cycles with large number of simulations in each cycle.Adaptive sampling (Lecture on EGO algorithm) Construct surrogate, add points by taking into account not only surrogate prediction but also uncertainty in prediction.Most popular, Joness EGO (Efficient Global Optimization).Easiest with one added sample at a time.

Optimization with surrogates goes through cycles, with each cycle consisting of performing a number of simulations, fitting a surrogates to these simulations (possibly using also simulations from previous cycles) and then optimizing based on the surrogates. A termination test is undertaken, and if it is not satisfied, another cycle is undertaken. The optimization algorithm used to solve the optimization problem in each cycle is less critical than in optimization without surrogates, because the objective functions and constraints are inexpensive to evaluate from the surrogates.

There are two broad strategies for surrogate based optimization, zooming and adaptive sampling. In the zooming approach each cycles involves a relatively large number of simulations, so that the total number of cycles is usually small. In each cycle the original optimization problem is solved except that the objective function and/or the constraints are replaced by surrogates. When the optimum of the cycle is obtained, the design space for future simulations is focused on the region near that approximate optimum (the zooming part). The zooming approach is the subject of this lecture.

The other strategy is called adaptive sampling. Its best known algorithm is called EGO (efficient global optimization) and it is the subject of another lecture. In adaptive sampling we add one or small number of simulations in each cycle. The points selected for sampling are based not only on the surrogate value but also on its estimate of the uncertainty in its predictions. So points with high uncertainty have a chance of being sampled even if the surrogate prediction there is not as good as at other points with less uncertainty.1Design Space RefinementDesign space refinement (DSR): process of narrowing down search by excluding regions because They obviously violate the constraints Objective function values in region are poorCalled also Reasonable Design Space.Benefits of DSRPrevent costly simulations of unreasonable designsImprove surrogate accuracyTechniquesUse inexpensive constraints/objective.Common sense constraintsCrude surrogateDesign space windowing

Madsen et al. (2000)Rais-Rohani and Singh (2004)

2An important step in constructing surrogates is limiting the region where they need to be accurate hence where simulations are performed. This avoids wasted simulations in regions where the design is grossly infeasible, or where the objective function is substantially non-optimal. The main benefit of a reduced design domain is to improve the surrogate model accuracy.

Excluding portions of the design space can be done using a partial set of constraints and/or objective functions that are inexpensive computationally. For example, in many problems the objective function, weight or cost , is easy to calculate, while some constraints require costly simulations. We can then exclude any region where the objective is more than 20% poorer than the best feasible objective known so far. Often an initial crude surrogate is used for that purpose.

Alternatively there are simple common-sense constraints. The top figure shows an example (Madsen et al. 2001) where the shape of a diffuser was designed with two design variables defining a cubic shape function. An intuitive understanding that the polynomial needed to be monotonic reduced substantially the design domain.

In addition, it is possible to reduce the design space by windowing as shown in the bottom figure, moving the window as indicated by the approximate optimum found in that window.

Raisi-Rohani and Singh, Comparison of global and local response surface techniquesin reliability-based optimization of composite structures , Struct. Multidisc. Optim. , 26, 333-345, 2004.Madsen, J.I., Shyy, W., and Haftka, R.T., Response Surface Techniques for Diffuser Shape Optimization, AIAA Journal, 38(9), pp. 1512-1518, 2000Balabanov, Giunta, Golovidov, Grossman, Mason, Watson, and Haftka, Reasonable Design Space Approach to Response Surface Approximation, J. Aircraft 36(1), 308-315, 1999.Radial Turbine Preliminary Aerodynamic Design OptimizationYolanda MackUniversity of Florida, Gainesville, FL

Raphael Haftka, University of Florida, Gainesville, FLLisa Griffin, Lauren Snellgrove, and Daniel Dorney, NASA/Marshall Space Flight Center, ALFrank Huber, Riverbend Design Services, Palm Beach Gardens, FLWei Shyy, University of Michigan, Ann Arbor, MI

42nd AIAA/ASME/SAE/ASEE Joint Propulsion Conference & Exhibit7-12-06

3Radial Turbine Optimization OverviewImprove efficiency and reduce weight of a compact radial turbine Two objectives, hence need the Pareto front.Simulations using 1D Meanline codePolynomial response surface approximations used to facilitate optimization.Three-stage DSR Determine feasible domain. Identify region of interest.Obtain high accuracy approximation for Pareto front identification.

4The optimization sought to improve two objective functions for a radial turbine: Efficiency and weight. Simulations were performed by a one-dimensional code called Meanline, and they were fitted using polynomial response surface (linear regression, see lecture).

When you have two objective functions, you seek to find the points where one objective cannot be improved without hurting the other objective. The curve connecting these points is called the Pareto front. It provides the tradeoff between the two objectives.

The design-space refinement procedure proceeded here in three steps. The first step was to use crude surrogate to identify the feasible domain (where all constraints are satisfied). The second step was to identify the region of interest that contains the Pareto front. The third step was to zoom on that region in order to get an accurate front.Variable and ObjectivesVariableDescriptionMINMAXRPMRotational Speed80,000150,000ReactPercentage of stage pressure drop across rotor0.450.70U/C isenIsentropic velocity ratio0.500.65Tip FlwRatio of flow parameter to a choked flow parameter0.300.48Dhex %Exit hub diameter as a % of inlet diameter0.100.40AnsqrFracUsed to calculate annulus area (stress indicator)0.501.0ObjectivesRotor WtRelative measure of goodness for overall weightEtatsTotal-to-static efficiency

5Constraint DescriptionsConstraintDescriptionDesired RangeTip SpdTip speed (ft/sec) (stress indicator) 2500AN^2 E08Annulus area x speed^2 (stress indicator) 850Beta1Blade inlet flow angle0 Beta1 40Cx2/UtipRecirculation flow coefficient (indication of pumping upstream) 0.20Rsex/RsinRatio of the shroud radius at the exit to the shroud radius at the inlet 0.85

6Optimization ProblemObjective VariablesRotor weightTotal-to-static efficiencyDesign VariablesRotational SpeedDegree of reactionExit to inlet hub diameter Isentropic ratio of blade to flow speedAnnulus areaChoked flow ratio ConstraintsTip speedCentrifugal stress measureInlet flow angleRecirculation flow coefficientExit to inlet shroud radius

Maximize ts and Minimize Wrotor

such that

7See pages 407 413 of Hill and Peterson for full explanationPhase 1: Aproximate feasible domainDesign of Experiments: Face-centered CCD (77 points)7 cases failed60 violated constraintsUsing RSAs, dependences determined for constraintsVariables omitted for which constraints are insensitiveConstraints set to specified limits

0 < 1 < 40React > 0.45

Infeasible RegionRange limitFeasible Region

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Feasible Regions for Other ConstraintsTwo constraints limit a the values of one variable each. All invalid values of a third constraint lie outside of new rangesFourth constraint depend on three variables.

Feasible RegionInfeasible Region

Feasible RegionInfeasible Region

9Refined DOE in feasible regionNew 3-level full factorial design (729 points) using reduced ranges.498 / 729 were eliminated prior to Meanline analysis based on the two 3D constraints.97% of remaining 231 points found feasible using Meanline code.

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Phase 2: Windowing based on objectivesShrinking design space by limits on objectivesUsed two DOEsLatin Hypercube Sampling (204 feasible points)5-level factorial design using 3 major variables only (119 feasible points)Total of 323 feasible pointsThe refined cloud defines a Pareto front.

Approximate region of interestNote: Maximum ts 90%1 tsWrotor Wrotor vs. ts

Wrotor 1 ts

11After reducing the design region based on feasibility we reduce it further by rejecting designs that have poor values of either objective. For the efficiency we insist on at least 80% (the best point is 90%). This excludes about a third of the design points used for the surrogate. A limit on the rotor weight excludes approximately another third.

We then refine the surrogate based on generating more design points in the middle region. This time we combine a 5-level full-factorial design in the three most influential design variables with a latin hypercube desgin (LHSm see lecture on space-filling designs of experiments). Out of the 125 points of the full factorial design, 119 are feasible. 204 points come from the LHS design.

The figure on the right shows the original 224 simulations, the selected region to focus on, and the distribution of the 323 new points.

Each cloud of points has a boundary on the bottom left which is the set of points where one objective cannot be improved without sacrificing the other objectives. This is the so called Pareto front. Use different surrogates to estimate accuracyFive RSAs constructed for each objective minimizing different norms of the difference between data and surrogate (loss function).Norm p = 1,2,,5Least square loss function (p = 2) Pareto fronts differ by as much as 20%Further design space refinement is necessary

1 tsWrotor

12To estimate the accuracy of the Pareto front it was generated from five different surrogates. All of them were quadratic polynomials, but each minimized a different norm of the difference between the data and the polynomial coefficients. (so called loss function L). Least square fit corresponds to p=2, the average absolute difference corresponds to p=1, and p=5 is very close to minimizing the maximum difference.

The difference between the Pareto fronts obtained from the five surrogates is substantial, showing that further refinement in the design space is needed. This can be done by fitting the surrogates over a narrower range of the design variables.Design Variable Range ReductionDesign VariableDescriptionMINMAXMINMAXOriginal RangeFinal RangesRPMRotational Speed80,000150,000100,000150,000ReactPercentage of stage pressure drop across rotor0.450.680.450.57U/C isenIsentropic velocity ratio0.50.630.560.63Tip FlwRatio of flow parameter to a choked flow parameter0.30.650.30.53Dhex%Exit hub diameter as a % of inlet diameter0.10.40.10.4AnsqrFracUsed to calculate annulus area (stress indicator)0.50.850.680.85

13The table shows the reduced region in design space. One range was not reduced at all, while some reduced by approximately a factor of 2, for a total reduction to about 6% of the original volume.Phase 3: Construction of Final Pareto Front and RSA ValidationFor p = 1,2,,5 Pareto fronts differ by 5% - design space is adequately refinedTrade-off region provides best value in terms of maximizing efficiency and minimizing weightPareto front validation indicates high accuracy RSAsImprovement of ~5% over baseline case at same weight

1 tsWrotor

1 tsWrotor

14SummaryResponse surfaces based on output constraints successfully used to identify feasible design spaceDesign space reduction eliminated poorly performing areas while improving RSA and Pareto front accuracyUsing the Pareto front information, a best trade-off region was identifiedAt the same weight, the RSA optimization resulted in a 5% improvement in efficiency over the baseline case

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