surrogate temp

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 NOORUL ISLAM CENTER FOR HIGHER EDUCATION, KUMARACOIL, INDIA. Generation and Use of Surrogate Models for Evolving Optimum Designs Dr. R. BALU, Dean,  School of Mec hanical En gineering. INCOSET  2012 December 13  14 th  2012

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This presentation deals with the use of surrogate modeling for evolving optimum engineering designs. It is useful for evolving optimum design where the data available is limited and costly to generate.

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    NOORUL ISLAM CENTER FOR HIGHER EDUCATION,

    KUMARACOIL, INDIA.

    Generation and Use of Surrogate Modelsfor Evolving Optimum Designs

    Dr. R. BALU,

    Dean,School of Mechanical Engineering.

    INCOSET 2012December 13 14th2012

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    Modern Design EnvironmentThe challenges

    Surrogate Models

    What are they ? What is their role in the designprocess ?What do we expect from them ?How to generate them and use them ?How to improve them ?Recent Developments

    Surrogate Models in Action

    Conclusions and Future Directions

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    thousand years ago : experimental sciencedescription of natural phenomena

    last few hundred years : theoretical scienceNewtons laws, Maxwells equations

    last few decades : computational sciencesimulation of complex phenomena

    today: e-Science ordata-centric scienceunify : experiment, theory, and simulationmassive computingdata exploration and mining

    opportunities for Design Optimisation

    (With thanks to Jim Gray

    (Microsoft))

    2

    2

    2.

    3

    4

    a

    cG

    a

    a

    Revolutionary Changes over the Centuries

    Surrogate Modeling Labwww.sumo.intec.ugent.beUGent - Department of Information Technology (INTEC) - IBCN 3

    http://es.rice.edu/ES/humsoc/Galileo/Images/Astro/Instruments/hevelius_telescope.gif
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    DESIGNBASED ON INTUTION,

    PHYSICS, EXPERIENCE,TESTING

    BUILD PROTOTYPE

    TESTING AND DATA ANALYSIS

    VIRTUALLY LITTLE OR 0 % THEORETICAL SUPPORT !!!

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    Wright brothers Flier, FF: 17 December, 1903

    Wright Brothers Story 1903)

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    Boeing 367-80, 1954 Airbus A-380, 2005

    Progress in aeronautics

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    developments

    DASA-Tupolev Cryoplane concept

    based on A-310 (1990-1993)

    EADS-Tupolev demonstrator aircraft

    based on Do-328 (1995-1998)

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    787-8

    Carbon

    Carbon laminate

    Other composites

    Aluminum

    Titanium

    CFRP

    43%

    Misc.

    9%

    Composites

    50%

    Aluminum

    20%

    Titanium

    15%

    Steel

    10%

    Other

    5%

    Still, things are changing

    Boeing 787, DREAMLINER REALISED IN 2011. Composite primary structure

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    Breaking away from conventional designs ?

    Novel design concept: Blended Wing Body (BWB)

    X-48, Boeing and NASA Langley Research Center

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    Grand challenges ahead

    Possibly, the pressure for a greener aircraft would push the civil

    aviation development as hard as the stealth technology pushed the

    development of military aircraft.

    Northrop Grumman B-2 Spirit Lockheed F-117 Nighthawk

    FF: 17 July 1989 FF: 18 June 1981

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    Computing Environment of Yester Years :

    Computers of the 1970-80s

    BESM-6 (1965-1995): 1 Mflop, 32K word RAM, 48 bit word

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    Hard Drive Capacity

    Approximately10 times moreevery 5 years

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    PROCESSING POWER

    Number of

    transistors of a

    computer

    processor

    double every

    two years

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    Approximately

    1/10 cheaper

    every 5 years

    HARD DRIVE COST

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    A MODERN PARALLEL PROCESSING

    COMPUTER

    http://www.top500.org/files/imagecache/gallery/files/systems/Roadrunner%20supercomputer.jpghttp://www.top500.org/files/imagecache/gallery/files/systems/Roadrunner%20supercomputer.jpg
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    With increasing complexity of modern engineeringsystems, it has become abundantly necessary, toadopt a global integrated approach right from thebeginning and through out the entire design

    process.

    Tight coupling and interaction between differentengineering disciplines, besides considerations suchas environmental, societal, manufacturing , reliability

    constraints is a huge challenge.

    Above all these, invariably, cost considerationsoverride

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    Design of Aerospace Vehicle

    17

    One has toconsider a widespecturm offactors in thedesign of anaerospacevehicle from the

    conceptualstageto the finaldetaileddesign stage

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    18

    MODERN DESIGN PROCESSDESIGN SPECIFICATIONS

    PARAMETERS

    CONSTRAINTS

    BUILD PROTOTYPE

    FINAL TESTING AND DESIGN VALIDATION

    COMPUTER SIMULATIONUSING SOPHISTICATEDNUMERICAL MODELS

    EVOLVE BEST OPTIMUM

    DESIGN

    NEARLY 100 % THEORETICAL SUPPORT !!

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    19

    Mars Airborne Geophysical Explorer

    2003

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    Contemporary engineering design is

    more and more dependent on computer

    simulationV

    [m/s]

    Flow separationon theback of the conningtower.

    To summarise ..

    http://www.google.com/imgres?imgurl=http://www.minicaps.com/ltcc3d2.gif&imgrefurl=http://www.minicaps.com/ltcc3d.html&usg=__PI5HkL2uSEDLbw25d4RCp2S1P4M=&h=524&w=572&sz=22&hl=is&start=1&itbs=1&tbnid=37Srewad4B-TTM:&tbnh=123&tbnw=134&prev=/images?q=ltcc&hl=is&gbv=2&tbs=isch:1http://www.google.com/imgres?imgurl=http://www.minicaps.com/ltcc3d2.gif&imgrefurl=http://www.minicaps.com/ltcc3d.html&usg=__PI5HkL2uSEDLbw25d4RCp2S1P4M=&h=524&w=572&sz=22&hl=is&start=1&itbs=1&tbnid=37Srewad4B-TTM:&tbnh=123&tbnw=134&prev=/images?q=ltcc&hl=is&gbv=2&tbs=isch:1http://www.google.com/imgres?imgurl=http://www.free-online-private-pilot-ground-school.com/images/components-turbine-engine.gif&imgrefurl=http://www.free-online-private-pilot-ground-school.com/turbine-engines.html&usg=__kNMCSvpkR1Coy96MYDcEawMWN6c=&h=305&w=725&sz=38&hl=is&start=19&itbs=1&tbnid=9_txKj6_h00-IM:&tbnh=59&tbnw=140&prev=/images?q=turbine&hl=is&gbv=2&tbs=isch:1http://www.google.com/imgres?imgurl=http://www.minicaps.com/ltcc3d2.gif&imgrefurl=http://www.minicaps.com/ltcc3d.html&usg=__PI5HkL2uSEDLbw25d4RCp2S1P4M=&h=524&w=572&sz=22&hl=is&start=1&itbs=1&tbnid=37Srewad4B-TTM:&tbnh=123&tbnw=134&prev=/images?q=ltcc&hl=is&gbv=2&tbs=isch:1http://www.comsol.com/showroom/gallery/2174/
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    Increasing complexity of systems and higher demandfor accuracy make engineering design challengingdue toLack of design applicable theoretical modelsHigh computational cost of accurate simulation

    Simulation-driven design becomes a must forgrowing number of engineering fields There is a growing temptation to apply the simulationtechmiques to evolve optimum design

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    SPECIFIC AREAS IMPACTED BY SIMULATION

    TECHNIQUES

    22

    Circuit Analysis

    Electromagnetic Analysis of Packages

    Structural Analysis of Automobiles

    Computational Fluid Mechanics

    Drag Force Analysis of Aircraft

    Engine Thermal Analysis

    Micro-machine Device Performance Analysis Stock Option Pricing for Hedge Funds

    Virtual Surgery Bio Medical Engineering

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    23

    % of Computer Simulation Usage in Design Evolution0 100

    Cost

    % of Experimental Testing Usage in Design Evolution0100

    The Cost Benefit

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    Computational Fluid DynamicsBasic Relations

    ),( tx

    CSCVVdSdV

    tdV

    DtD

    sys

    )( nu

    Reynolds Transport Theorem

    Rate of change

    in system

    For any vector or scalar function that represents

    a flow property

    Rate of change

    in control volume

    Flux through

    control surface

    zw

    yv

    xu

    ttDt

    D

    u

    Material derivative

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    CFD Modelling ProcessDefine geometry and computational mesh

    Solve for velocity, pressure, temperature and other variables

    Visualise and evaluate results

    Physics of Flow

    Flow conditions (fluid properties, turbulence, buoyancy)Boundary conditions (inlets,outlets, heat and contaminant sources)

    Model specific parameters (eg.contaminant transport and removal)

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    26

    Light CombatAircraft

    Each simulation run takes about 12 hours on a 192-node parallelcomputer with a speed of 1 TFLOPS

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    Most of the tasks we do using simulation

    tools pertain to analysis

    The powerful software and hardwaretools can be effectively used for

    design ing an opt imum con f igu rat ion

    27

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    Can we combine the

    capabilities of these tools with

    a powerful optimiser and

    exploit them to create bestoptimum) designs?

    28

    IMPORTANT QUESTION ??

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    Let us now take a look at

    some aspects of

    optimisation in general

    terms

    WHAT IS OPTIMISATION ?

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    Opis: Roman goddess of abundance and

    fertility.

    Opis is said to be the wife of Saturn. By her

    the Gods designated the earth, because the

    earth distributes all goods to the humangender. Festus

    Meanings of the word: "riches, goods,

    abundance, gifts, munificence, plenty".

    The word optimus- the best - was derivedfrom her name.

    Why do we call it that way?

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    A formal mathematical optimization problem: to find

    components of the vector xof design variables:

    whereF(x)is the objective function,gj

    (x)are the

    constraint functions, the last set of inequality conditionsdefines the side constraints.

    NiBxA

    Mjg

    F

    iii

    j

    ,...,1,

    ,...,1,0)(

    max)or(min)(

    x

    x

    Mathematical Formulation of a General

    Optimal Design Problem

    Design variables are selected to

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    . Typical examples:

    areas of cross section of bars in a trussstructure

    coordinates points defining the shapeof an aerofoil.

    Choice of design variablesDesign variables are selected touniquely identify a design

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    Criteria of systems efficiency are described by the

    objective function that is to be either minimised or

    maximised.

    Typical examples:cost

    weight

    use of resources (fuel, etc.)

    aerodynamic dragreturn on investment

    etc.

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    TYPICAL CONSTRAINTS ON SYSTEMSBEHAVIOUR

    Constraintscan be imposed on:

    cost

    equivalent stress

    critical buckling load

    frequency of vibrations (can be several)

    drag

    lift

    fatigue life etc.

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    Multi-objectiveproblems

    Pareto optimum setconsists of

    the designs which cannot beimproved with respect to allcriteria at the same time.

    NiBxA

    MjG

    KkF

    iii

    j

    k

    ,...,1,

    ,...,1,0)(

    ,...,1min,)(

    x

    x

    A general multi-objective optimization problem

    Vilfredo Pareto(1848-1923)

    Multi Objective Optimisation Problems

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    Because it is not easy!

    There are serious issues to address.

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    Real-life problems are hard

    Responses are implicit and computationally expensive

    Responses are noisy

    Responses can be blurred even more by random inputs

    Simulation software fails over every now and then

    Number of variables can be large

    Softwares tools arent validated enough

    Simulation Softwares are in general used as Black Boxes

    Source codes are rarely available

    What are the obstacles?

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    Linking an optimizer to a simulation model would take aprohibitive amount of computing time

    Even if all the computing might is available, convergence

    of optimization could be af fected by numerical noise anddomain-dependent calculability

    Causes for noisy data

    Discretisation of continuous domain into discrete cells Truncation Errors Round off Errors due to finite precision representation Incomplete convergence of iterations Variable fidelity models

    The Challenge

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    Optimization of a steel structure where some of themembers are described by 10 design variables. Eachdesign variable represents a number of a section from acatalogue of 10 available sections.

    One full structural analysis of each design takes 1secondon a computer.

    Question:how much time would it take to check all thecombinations of cross-sections in order to guarantee theoptimum solution?

    Answer: 1010seconds = 317 years

    If something's hard to do then it's not worth doing!

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    If something s hard to do, then it s not worth doing!

    Homer Simpson

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    If the problem as is is too hard, use anapproximation ( a metamodel or a surrogate

    model) of the given function by a function withrequired properties (smooth, cheaper tocompute, etc.).

    The given functionin this context is invariably

    only a set of inputs and the correspondingoutputs !!

    Check the approximation quality, if insufficient,refine.

    Use approximations!

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    A SURROGATE MODEL BASED OPTIMISATION

    FRAMEWORK

    Aerodynamicsutomotive Electronics Metallurgyhemistry

    Designvariables

    width, temperature,

    angle, frequency, ...

    Responsevariables

    lift, S-parameters,

    pressure, stress, ...

    Simulation ModelFluent, HSPICE, CST,

    Comsol, Abaqus, ...

    Costly

    Optimization SensitivityAnalysisrototypingCAD/CAM/CAE

    Environment

    Designvariables

    Responsevariables

    CheapSurrogate Model / Metamodel

    Neural network, Kriging, SVM, rational function, spline,...

    Adaptive sampling

    p3

    p

    1

    p2

    p3

    p1

    p2

    Configurableinfrastructure

    Distributed Computing

    Adaptive Modeling

    Surrogate Modeling Labwww.sumo.intec.ugent.be

    UGent - Department of Information Technology (INTEC) - IBCN 42

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    APPLICATIONS

    input output

    out = f(in)

    geologymath

    automotive

    fluid dynamicselectronics telecom

    multimedia

    artchemistry

    Surrogate Modeling Labwww.sumo.intec.ugent.be

    UGent - Department of Information Technology (INTEC) - IBCN 43

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    Metamodels should allow to:

    minimize the number of response evaluationsreduce the effect of numerical noise

    recognise: is it a trend?

    If necessary, metamodels can be built in a smallersubregions of the whole design space (trust regions)that are panning and zooming onto the solution

    Metamodelling for design optimization

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    insight

    knowledgemodel

    surrogate modeling

    datasimulations/measurements

    Surrogate Models help transform datainto knowledge

    Research AreasMachine Learning,

    Artificial Intellegence

    system identification

    control theorymodel order reduction

    system approximation

    data mining

    probability and statisticsinformation theory

    approximation

    mathematics

    optimizationSurrogate Modeling Labwww.sumo.intec.ugent.be

    UGent - Department of Information Technology (INTEC) - IBCN 45

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    Mutation why it SURROGATES !!

    REALITY MATHEMATICAL MODEL SURROGATE MODEL

    SURROGATE MODEL IS A MODEL FOR A MODEL !!

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    SURROGATE MODEL BASED

    OPTIMISATION STRATEGY

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    STEPS IN SURROGATE MODELING

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    DESIGN OF EXPERIMENTS

    Sampling according to someDesigns o f Exper iments ( DOE ) is

    needed:

    to bui ld a surrogate model

    and also to check the surrogate model

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    A cheap-to-compu te model for thelimited amount of data generated by acomputer intensive costly simulation

    software tools

    These simulation software themselvesdepend on a sophisticated state-of-the-art

    mathematical models.

    It is a simple model for a complicated model !!

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    Basic Requirements of a good Surrogate

    Model

    It should replicate the original sophisticated computersimulation model in the entire design space

    Optimum found by using the surrogate model shouldbe as close as possible to that which has been foundusing the sophisticated model

    Simple, yet powerful and highly useful, for practicaloptimisation exercises

    It should aid the designer, at the cost of slightly extracomputations , to identify the potential optimumzones, in the design space.

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    Gain insight into the design problem

    Identify the relative importance of variousparameters

    Study the interactions among the designparameters

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    Bridge seamlessly computer simulation datawith experimentally acquired data and allother possible sources

    Number of simulation runs that are requiredas input, can be tailored to the availablecomputational budget

    Augmentation of data in regions, where it isimpossible to get data, either by computersimulation and / or by experimentation

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    Handle noisy and missing data

    Experiments --- random errors Computer Simulations --- Convergence, grid

    effects

    Ability to use variable fidelity physics modelsjudiciously

    Low Fidelity --- Less computational time

    High fidelity --- High computational time

    Surrogate model fitted to the difference between the two (HFLF ) and HF results are got at the expense of only LFand SM

    DESIGN PARAMETERS AND

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    N NOBJECTIVE FUNCTION

    Design problem has k-parameters. This can berepresented by a k-dimensional vector

    The objective function y is a function of x

    It is assumed that y is a continuous function inthe design space

    kxxxxx ,.......,, 321

    xfy

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    The only knowledge that we have

    about y , is a set of n values of x

    and the corresponding values of y,

    at the n simulation points.

    No analytical form is known forthe function f

    KNOWLEDGE ABOUT THE OBJECTIVEFUNCTION

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    Simulation Data Set

    )],(),........(),,(),,[(

    ,.....3,2,1

    )(

    3

    3

    2

    2

    1

    1

    n

    n

    ii

    yxyxyxyx

    ni

    xfy

    D S El

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    Data Set Elements

    nnnknnn

    k

    k

    yxxxxx

    yxxxxx

    yxxxxx

    .,,.........,,

    ...........................

    ,,.........,,

    ,,.........,,

    321

    222232221

    11

    1131211

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    Non Dimensionalisation of the

    Design Variables

    )(

    )(*

    LU

    L

    xx

    xxx

    x* varies between 0 and 1

    The design space is thus a

    k-dimensional unit hyper-cube

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    Sampling Plan Define the conditions of Computer Simulation and

    /or Physical Experiments

    High Fidelity Simulations /Observations Quantitative Evaluation and Generate Data

    Construct Surrogate

    Kriging, RBF, ANN , Polynomial Optimisation Gradient Based / Evolutionary Algorithms

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    How the n points be distributed in the design space sothat the surrogate model to be constructed out of the datagenerated at these locations, truly reflect the objectivefunction ?

    Some sampling plans require a fixed set of data points n = a function of dimension of design space k Example Full Factorial Design

    Some sampling plans enable distribution of n points in

    a good manner ( Space filling property )

    n can be tailored to the available computing resourcesand budget.

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    Monte Carlo Methods using Random

    Numbers

    Lattice Hypercube Sampling

    Orthogonal Array Sampling

    Hammerseley Sequence

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    No restriction on the number of data points

    n

    Stratified in all k-dimensions

    Any point if projected parallel to each ofthe k-coordinate lines will not intersect

    any other point.

    Possesses reasonable space fillingfeatures

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    Based on the radix-R notation of an intger

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    Any sampling plan, however carefully it ischosen, will tend to push the points toward theperiphery of the k-dimensional hypercube, as ktends to be large.

    This leaves large regions of the design spaceunexplored or unrepresented.

    Any surrogate model constructed thus will havepoor predictive capability at new location andgeneralises poorly.

    TWO TYPES OF ALGORTHMIC

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    TWO TYPES OF ALGORTHMIC

    APPROACHES TO OPTIMISATION

    GRADIENT BASED VS EVOLUTIONARY

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    GRADIENT-BASED .VS. EVOLUTIONARY

    ALGORITHMS FOR OPTIMISATION

    GROWTH OF MULTI DISCIPLINARY

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    GROWTH OF MULTI DISCIPLINARY

    OPTIMISATION

    PROBABILISTIC BASED DESIGN

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    Important to deal with uncertainties in the

    design variables

    Also called as Robust optimisation or

    Reliability Based OptimisationA product that performs well and is insensitive

    to expected variations in design variables is

    sought.

    This can be achieved by making a trade-off

    between the mean value and the variation

    PROBABILISTIC-BASED DESIGN

    OPTIMISATION

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    Metamodelling for stochastic analysis

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    Similarly to design optimization, the following process for the stochastic

    analysis has been suggested:

    Build a metamodel

    Check its quality on the independent data set, if quality is not acceptable

    then refine metamodel

    Run Monte Carlo simulation of a sufficient sampling size on the

    metamodel

    Metamodelling for stochastic analysis

    METAMODELLING TECHNIQUES

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    Response surface methodology Linear (e.g. polynomial) regression

    Nonlinear regression

    Mechanistic models

    Selection of the model structure, e.g. using Genetic Programming

    Artificial neural networks

    Radial basis functions Kriging

    Multivariate Adaptive Regression Splines (MARS)

    Use of lower fidelity numerical models in metamodel building

    Moving Lest Squares Method (MLSM) etc.

    Q

    OPTIMIZATION

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    PROCESS

    Problem formulation

    Find Min of f(x), subject to g(x) 0

    Design of Experiments (DOE)

    Optimal Latin hypercube (OLH)

    Numerical simulation (CFD)

    Determination of objective function at each DOE point

    Construction of surrogate

    Moving least squares method (MLSM)

    Evolutionary Algorithm

    Invoking GA to search for the min of the surrogate of f(x)

    Surrogate model validation

    Optimal Solution

    PARAMETER VALUENumber of CFD

    responses used as

    building points

    15

    Number of CFD

    responses used as

    Validation points

    5

    R2Building points 0.9932

    R2validation Points 0.9931

    R2Merged 0.9947

    RMS Error Build 0.0108

    RMS Error

    Validation

    0.0091

    RMS Error Merged 0.0092PARAMETER VALUE

    Maximum

    Iteration

    200

    Minimum

    Iteration

    25

    Coding Type Real

    Population size 20

    Discrete States 1024

    Mutation Rate 0.01

    Global search 2

    Elite Population

    %

    10%

    Random Seed 1

    Number of

    Contenders

    2

    Penalty

    Multiplier

    2.0

    Penalty Power 1.0

    SURROGATE FUNCTION

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    SURROGATE FUNCTION Simulates the unknown function distribution based

    on the prior.

    Deterministic (Classical Linear Regression,)

    There is a deterministic prediction for each point x in

    the input space. Stochastic (Bayesian regression, Gaussian Process,)

    There is a distribution over the prediction for each

    point x in the input space. (i.e Normal distribution)

    Example

    Deterministic: f(x1)=y1, f(x2)=y2

    Stochastic: f(x1)=N(y1,2) f(x2)=N(y2,5)

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    GAUSSIAN PROCESS(GP)

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    ( )

    Gaussian Process is:

    An exact interpolating regression method.

    Predict the training data perfectly. (not true in classical

    regression)

    A natural generalization of linear regression. Nonlinear regression approach!

    A simple example of GP can be obtained from

    Bayesian regression.

    Identical results

    Specifies a distribution over functions.

    GAUSSIAN PROCESS(2):

    DISTRIBUTION OVER FUNCTIONS

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    DISTRIBUTION OVER FUNCTIONS

    95% confidence

    interval for each

    point x.

    Three sampled

    functions

    SHORT SUMMARY

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    Given any unobserved point z, we can define anormal distribution of its prediction value

    such that:

    Its means is the linear combination of the observedvalue.

    Its variance is related to its distance from observed

    value. (closer to observed data, less variance)

    BAYESIAN OPTIMIZATION:

    (ACQUISITION CRITERION)

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    (ACQUISITION CRITERION)

    Remember: we are looking for:

    Input:

    Set of observed data.

    A set of points with their corresponding mean and

    variance.

    Goal: Which point should be selected next to

    get to the maximizer of the function faster

    DESIGNS FOR COMPUTER

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    Much developments of sophisticated engineering

    designs, analysis, and products are now carried out byhigh-powered computer simulations.

    Some of these sophis ticated programs require eitherexpensive computing resources or computer time.

    Hence simplifying the model by means of a meta modelor replacement model often makes more sense. Done

    properly using DOE methods also helps to understand thecomplex model a little better.

    L . M. Lye DOE Course 130

    EXPERIMENTS

    If th bj ti i t ti t l i l t f

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    If the objective is to estimate a polynomial transferfunction, traditional RSMs such as CCD and BBD havebeen used with some success.

    However, when ana lyzing data from computersimulations, we must keep in mind that the true modelwill only be approximated by RSM.

    The RSM metamodel will not only fall short in the form ofthe model, but also in the number of factors.

    Therefore, predictions will only be good within the rangesof the fac tors specified and will exhibit systematic error,or bias.

    L . M. Lye DOE Course 131

    How to find the best suited metamodel is another key issue incomputer experiments.

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    computer experiments.

    Techniques include: krig ing models, polynomial regressionmodels, local polynomial regression, multivariate splines and

    wavelets, and neural networks have been proposed.

    Therefore, design and modelling are two key issues incomputer experiments.

    Most of these techniques are outside of statis tics althoughknowledge of classical DOE and RSM certainly helps in

    understanding these new techniques.

    See papers by Kleijnen et al for more details.

    L . M. Lye DOE Course 132

    USES OF RSM (CONT)

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    To achieve a quantitative understanding of the system

    behavior over the region tested

    To find conditions for process stability = insensitive spot

    (robust condition)

    To replace a more complex model with a much simpler

    second-order regression model for use within a limitedrange replacement models, meta models, or su rrogate

    models. E.g. Replacing a FEM with a simple regression

    model.

    L . M. Lye DOE Course 133

    ( )

    EXAMPLE

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    L . M. Lye DOE Course 134

    Suppose that an engineer wishes to find the

    levels of temperature (x1) and feed

    concentration (x2) that maximize the yield (y) of

    a process. The yield is a function of the levels of

    x1and x2, by an equation:

    Y = f (x1, x2) + e

    If we denote the expected response by

    E(Y) = f (x1, x2) =

    DESIGNS FOR FITTING 2ND ORDER

    MODELS

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    Two very useful and popular experimental designs that allow a2ndorder model to be fit are the:

    Central Composite Design (CCD) Box-Behnken Design (BBD)

    Both designs are built up f rom simple factorial or fractional

    factorial designs.

    L . M. Lye DOE Course 135

    MODELS

    3-D VIEWS OF CCD AND BBD

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    L . M. Lye DOE Course 136

    CENTRAL COMPOSITE DESIGN (CCD)

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    Each factor varies over five levels

    Typically smaller than Box-Behnken designs

    Built upon two-level factorials or frac tional factorials of

    Resolution V or greater

    Can be done in stages factorial + centerpoints + axial

    points

    Rotatable

    L . M. Lye DOE Course 137

    GENERAL STRUCTURE OF CCD

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    2k

    Factorial + 2k Star or axial points + ncCenterpoints The factorial part can be a fractional factorial as long as

    it is of Resolution V or greater so that the 2 fac tor

    interaction terms are not aliased with other 2 factor

    interaction terms.

    The star or axial points in conjunction with thefactorial and centerpoints allows the quadratic terms (b ii )

    to be estimated.

    L . M. Lye DOE Course 138

    EXAMPLE

    S th t gi i h t fi d th

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    L . M. Lye DOE Course 139

    Suppose that an engineer wishes to find the

    levels of temperature (x1) and feed

    concentration (x2) that maximize the yield (y) of

    a process. The yield is a function of the levels of

    x1and x2, by an equation:

    Y = f (x1, x2) + e

    If we denote the expected response by

    E(Y) = f (x1, x2) =

    then the surface represented by:

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    L . M. Lye DOE Course 140

    p y

    = f (x1, x2)

    is called a response surface.

    The response surface maybe represented

    graphically using a contour plot and/or a 3-D

    plot. In the contour plot, lines of constant

    response (y) are drawn in the x1, x2, plane.

    If the response is well modeled by a linear

    function of the independent variables, then the

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    L . M. Lye DOE Course 141

    approximating function is the first-order model

    (linear):Y = b0+ b1x1 + b2x2+ + bkxk+ e

    This model can be obtained from a 2kor 2k-p

    design.

    If there is curvature in the system, then a

    polynomial of higher degree must be used, such

    as the second-order model:

    Y = b0+ Sbixi + Sbiix2

    i+ SSbijxixj + e

    This model has linear + interaction + quadratic

    TYPES OF FUNCTIONS

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    Figures 1a through 1c on thefollowing pages illustrate possiblebehaviors of responses asfunctions of factor settings. Ineach case, assume the value ofthe response increases from thebottom of the figure to the top

    and that the factor settingsincrease from left to right.

    L . M. Lye DOE Course 142

    TYPES OF FUNCTIONS

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    L . M. Lye DOE Course 143

    Figure 1aLinear function

    Figure 1bQuadratic function

    Figure 1cCubic function

    If b h i Fi 1

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    If a response behaves as in Figure 1a,

    the design matrix to quantify thatbehavior need only contain factorswith two levels -- low and high.

    This model is a basic assumption of

    simple two-level factorial andfractional factorial designs.

    If a response behaves as in Figure 1b,the minimum number of levels

    required for a factor to quantify thatbehavior is three.

    L . M. Lye DOE Course 144

    One might logically assume that adding center points to a two -level design would satisfy that requirement, but the

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    arrangement of the treatments in such a matrix confounds allquadratic effects with each other.

    While a two- level design with center points cannot estimateindividual pure quadratic ef fects, it can detect themeffectively.

    A solution to creating a design matrix that permits theestimation of simple curvature as shown in Figure 1b would beto use a three -level factorial design. Table 1 explores that

    possibility. Finally, in more complex cases such as illustrated in Figure 1c,

    the design matrix must contain at least four levels of eachfactor to characterize the behavior of the response adequately.

    L . M. Lye DOE Course 145

    TABLE 1: 3 LEVEL FACTORIAL DESIGNS

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    No. of factors of combinations(3k) Numberof coef ficients

    2 9 6

    3 27 10

    4 81 15

    5 243 21

    6 729 28

    The number of runs required for a 3 kfactorial becomes

    unacceptable even more quickly than for 2kdesigns.

    The last column in Table 1 shows the number of terms

    present in a quadratic model for each case.

    L . M. Lye DOE Course 146

    PROBLEMS WITH 3 LEVEL FACTORIAL

    DESIGNS

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    With only a modest number of factors, the number of

    runs is very large, even an order of magnitude greaterthan the number of parameters to be estimated when k isn't small.

    For example, the absolute minimum number of runsrequired to estimate all the terms present in a four-factor quadratic model is 15: the intercept term, 4 main

    effects, 6 two -factor interactions, and 4 quadratic terms. The corresponding 3kdesign for k = 4 requires 81 runs.

    L . M. Lye DOE Course 147

    Considering a fractional factorial at three levels is a

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    logical step, given the success of fractional designs when

    applied to two-level designs.

    Unfortunately, the alias structure for the three- level

    fractional factorial designs is considerably more complex

    and harder to define than in the two- level case.

    Additionally, the three-level factorial designs suf fer a

    major flaw in their lack of `rotatability More on rotatability later.

    L . M. Lye DOE Course 148

    INTERACTION OF HIGH-

    AND LOW FIDELITY

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    Sometimes two levels ofmodels are available, e.g.:

    High-fidelity model: detailedFE simulation with a fine mesh

    Low-fidelity model: a faster

    and simpler simulationapproach, e.g.

    FE simulation with a coarsemesh

    Other simulation tool?

    MODELS

    The basic idea is to do the bulk of optimization using the low fidelity model

    only occasionally calling the high fidelity model

    Creation of analytical metamodels usingGenetic Programming

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    Similar to GA but more general data structure (programs)Darwinian evolution of programs

    Main applications: AI, design of electric circuits, financial forecasting

    Application to design optimization and problems

    Creation of analytical metamodels

    Program = analytical metamodel

    Program: Tree structurecomposed of nodes

    Terminal set: optimization variables

    Functional set: mathematical operators

    Challenges ahead

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    Curse of dimensionality Problems with non-smooth response, e.g. crashworthiness

    Problems of large-scale composite optimisation

    Large scale structural engineering problems

    CFD optimisation problems, e.g. flow control to reduce drag

    Coupled problems, e.g. aeroelasticity

    Multidisciplinary problems

    Conclusions

    Optimal design of modern engineering systems and

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    Optimal design of modern engineering systems andproducts involves a broad design space involving

    several disciplines

    Many sophisticated simulation software tools areavailable in these areas. But they are extremely

    expensive when applied to practical problems

    Recent developments in Surrogate modeling andgeneration of efficient sampling plans brings theglobal multi-disciplinary optimisation of engineeringsystems design closer to reality in practical applications

    S ff

    Conclusions

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    Surrogate based optimization offers answers to, orat least , ways to get round, many problems

    associated with real world optimization

    Bayesian approach to surrogate modeling looks

    promising to make accurate predictions in unknown

    regions of the design space. But this approach is also

    computer intensive and hence may defeat the verypurpose of developing surrogate models.

    Surrogate modeling, presently a seemingly blunt

    tool, must be used with great care, as there are many

    traps to fall into.

    In a multi-objective context, the use of surrogate

    models is particularly promising

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