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UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department of Computer Science 11/30/16 Dr. Yanjun Qi / UVA CS 6316 / f16 1

UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

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Page 1: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

UVACS6316/4501–Fall2016

MachineLearning

Lecture22:Review

Dr.YanjunQi

UniversityofVirginia

DepartmentofComputerScience

11/30/16

Dr.YanjunQi/UVACS6316/f16

1

Page 2: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Announcements:FinalExam•  ClosedNote•  Allowingapaper(usleJersize)ofcheatsheet•  Nolaptop/NoCellphone/Nointernetaccess/Noelectronicdevices

•  RecitalsessionthisFriday(@OSL120,4pm-5pm)forHW7

•  Coveringpost-midtermcontents(L12-)Zlltoday–  PracZcewithsamplequesZonsinHW7– HW7duenextMondaynoon–  Pleasereviewcourseslidescarefully

11/30/16 2

Dr.YanjunQi/UVACS6316/f16

Page 3: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Today

q ReviewofMLmethodscoveredsofarq Regression(supervised)q ClassificaZon(supervised)q Unsupervisedmodelsq Learningtheory

q ReviewofAssignmentscoveredsofar

11/30/16 3

Dr.YanjunQi/UVACS6316/f16

Page 4: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

ATypicalMachineLearningPipeline

11/30/16

Low-level sensing

Pre-processing

Feature Extract

Feature Select

Inference, Prediction, Recognition

Label Collection

4

Evaluation

Optimization

e.g. Data Cleaning Task-relevant

Dr.YanjunQi/UVACS6316/f16

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11/30/16 5

AnOperaZonalModelofMachineLearning

Learner Reference Data

Model

Execution Engine

Model Tagged Data

Production Data Deployment

Consistsofinput-outputpairs

Dr.YanjunQi/UVACS6316/f16

Page 6: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Machine Learning in a Nutshell

Task

Representation

Score Function

Search/Optimization

Models, Parameters

11/30/16 6

MLgrewoutofworkinAIOp#mizeaperformancecriterionusingexampledataorpastexperience,Aimingtogeneralizetounseendata

Dr.YanjunQi/UVACS6316/f16

Page 7: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Whatwehavecovered

11/30/16

Dr.YanjunQi/UVACS6316/f16

7

Task Regression,classificaZon,clustering,dimen-reducZon

RepresentaIon

Linearfunc,nonlinearfuncZon(e.g.polynomialexpansion),locallinear,logisZcfuncZon(e.g.p(c|x)),tree,mulZ-layer,prob-densityfamily(e.g.Bernoulli,mulZnomial,Gaussian,mixtureofGaussians),localfuncsmoothness,

ScoreFuncIon

MSE,Hinge,log-likelihood,EPE(e.g.L2lossforKNN,0-1lossforBayesclassifier),cross-entropy,clusterpointsdistancetocenters,variance,

Search/OpImizaIon

NormalequaZon,gradientdescent,stochasZcGD,Newton,Linearprogramming,QuadraZcprogramming(quadraZcobjecZvewithlinearconstraints),greedy,EM,asyn-SGD,eigenDecomp

Models,Parameters

RegularizaZon(e.g.L1,L2)

Page 8: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Scikit-learnalgorithmcheat-sheet

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hJp://scikit-learn.org/stable/tutorial/machine_learning_map/Dr.YanjunQi/UVACS6316/f16

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11/30/16 9

hJp://scikit-learn.org/stable/Dr.YanjunQi/UVACS6316/f16

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ü differentassumpZonsondata

ü differentscalabilityprofilesattrainingZme

ü differentlatenciesatpredicZon(test)Zme

ü differentmodelsizes(embedabilityinmobiledevices)

OlivierGrisel’stalk

Dr.YanjunQi/UVACS6316/f16

Page 11: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Today

q ReviewofMLmethodscoveredsofarq Regression(supervised)q ClassificaZon(supervised)q Unsupervisedmodelsq Learningtheory

q ReviewofAssignmentscoveredsofar

11/30/16 11

Dr.YanjunQi/UVACS6316/f16

Page 12: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

SUPERVISED LEARNING

•  Find function to map input space X to output space Y

•  Generalisation:learnfuncZon/hypothesisfrompastdatainorderto“explain”,“predict”,“model”or“control”newdataexamples

11/30/16 12KEY

Dr.YanjunQi/UVACS6316/f16

Page 13: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Whatwehavecovered(I)q SupervisedRegressionmodels

– Linearregression(LR)– LRwithnon-linearbasisfuncZons– LocallyweightedLR– LRwithRegularizaZons–  FeatureselecZon*

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Dr.YanjunQi/UVACS6316/f16

Page 14: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

ADataset

•  Data/points/instances/examples/samples/records:[rows]•  Features/a0ributes/dimensions/independentvariables/covariates/

predictors/regressors:[columns,exceptthelast]•  Target/outcome/response/label/dependentvariable:special

columntobepredicted[lastcolumn]

11/30/16 14

YisconZnuousOutput Y as

continuous values

Dr.YanjunQi/UVACS6316/f16

Page 15: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(1) Multivariate Linear Regression

Regression

Y = Weighted linear sum of X’s

Least-squares

Linear algebra

Regression coefficients

Task

Representation

Score Function

Search/Optimization

Models, Parameters

y = f (x) =θ0 +θ1x1 +θ2x

2

11/30/16 15θ

Dr.YanjunQi/UVACS6316/f16

Page 16: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(2) Multivariate Linear Regression with basis Expansion

Regression

Y = Weighted linear sum of (X basis expansion)

Least-squares

Linear algebra

Regression coefficients

Task

Representation

Score Function

Search/Optimization

Models, Parameters

y =θ0 + θ jϕ j (x)j=1

m∑ =ϕ(x)θ

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Page 17: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(3) Locally Weighted / Kernel Regression

Regression

Y = local weighted linear sum of X’s

Least-squares

Linear algebra

Local Regression coefficients

(conditioned on each test point)

Task

Representation

Score Function

Search/Optimization

Models, Parameters

0000 )(ˆ)(ˆ)(ˆ xxxxf βα +=

minα (x0 ),β (x0 )

Kλ (xi, x0 )[yi −α(x0 )−β(x0 )xi ]2

i=1

N

∑11/30/16 17

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Page 18: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(4) Regularized multivariate linear regression

Regression

Y = Weighted linear sum of X’s

Least-squares+ Regularization -norm

Normal Eq / SGD / GD

Regularized Regression coefficients

Task

Representation

Score Function

Search/Optimization

Models, Parameters

min J(β) = Y −Y^"

#$

%&'2

i=1

n

∑ +λ β j2

j=1

p

∑11/30/16 18

Dr.YanjunQi/UVACS6316/f16

Page 19: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(5) Feature Selection

Dimension Reduction

n/a

Many possible options

Greedy (mostly)

Reduced subset of features

Task

Representation

Score Function

Search/Optimization

Models, Parameters

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Page 20: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(5)FeatureSelecZon•  Thousandstomillionsoflowlevelfeatures:selectthemostrelevantonetobuildbeVer,faster,andeasiertounderstandlearningmachines.

X

p

n

p’

FromDr.IsabelleGuyon11/30/16 20

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Page 21: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Today

q ReviewofMLmethodscoveredsofarq Regression(supervised)q ClassificaZon(supervised)q Unsupervisedmodelsq Learningtheory

q ReviewofAssignmentscoveredsofar

11/30/16 21

Dr.YanjunQi/UVACS6316/f16

Page 22: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Whatwehavecovered(II)q SupervisedClassificaZonmodels

–  SupportVectorMachine–  BayesClassifier–  LogisZcRegression–  K-nearestNeighbor–  Randomforest/DecisionTree–  NeuralNetwork(e.g.MLP)

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Page 23: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

ThreemajorsecZonsforclassificaZon

•  We can divide the large variety of classification approaches into roughly three major types

1. Discriminative - directly estimate a decision rule/boundary - e.g., logistic regression, support vector machine, decisionTree 2. Generative: - build a generative statistical model - e.g., naïve bayes classifier, Bayesian networks 3. Instance based classifiers - Use observation directly (no models) - e.g. K nearest neighbors

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Page 24: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

ADatasetforclassificaZon

•  Data/points/instances/examples/samples/records:[rows]•  Features/a0ributes/dimensions/independentvariables/covariates/predictors/regressors:[columns,exceptthelast]•  Target/outcome/response/label/dependentvariable:specialcolumntobepredicted[lastcolumn]

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Output as Discrete Class Label

C1, C2, …, CL

C

CDr.YanjunQi/UVACS6316/f16

Page 25: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(1) Support Vector Machine

classification

Kernel Func K(xi, xj)

Margin + Hinge Loss (optional)

QP with Dual form

Dual Weights

Task

Representation

Score Function

Search/Optimization

Models, Parameters

w = α ixiyii∑

argminw,b

wi2

i=1p∑ +C εi

i=1

n

subject to ∀xi ∈ Dtrain : yi xi ⋅w+b( ) ≥1−εi

K(x, z) :=Φ(x)TΦ(z)

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Page 26: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(2) Bayes Classifier

classification

Prob. models p(X|C)

EPE with 0-1 loss, with Log likelihood(optional)

MLE

Prob. Models’ Parameter

Task

Representation

Score Function

Search/Optimization

Models, Parameters

P(X1, ⋅ ⋅ ⋅,Xp |C)

argmaxk

P(C _ k | X) = argmaxk

P(X,C) = argmaxk

P(X |C)P(C)

P(Xj |C = ck ) =1

2πσ jk

exp −(X j−µ jk )

2

2σ jk2

"

#$$

%

&''

P(W1 = n1,...,Wv = nv | ck ) =N !

n1k !n2k !..nvk !θ1kn1kθ2k

n2k ..θvknvk

p(Wi = true | ck ) = pi,kBernoulliNaïve

GaussianNaive

Mul#nomial11/30/16 26

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Page 27: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Naïve Bayes Classifier

Difficulty: learning the joint probability

•  Naïve Bayes classification –  Assumption that all input attributes are conditionally independent!

P(X1, ⋅ ⋅ ⋅,Xp |C)

P(X1,X2, ⋅ ⋅ ⋅,Xp |C) = P(X1 | X2, ⋅ ⋅ ⋅,Xp,C)P(X2, ⋅ ⋅ ⋅,Xp |C) = P(X1 |C)P(X2, ⋅ ⋅ ⋅,Xp |C) = P(X1 |C)P(X2 |C) ⋅ ⋅ ⋅P(Xp |C)

11/30/16

AdaptfromProf.KeChenNBslides27

C

X1 X2 X5 X3 X4 X6

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Page 28: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(3) Logistic Regression

classification

Log-odds(Y) = linear function of X’s

EPE, with conditional Log-likelihood

Iterative (Newton) method

Logistic weights

Task

Representation

Score Function

Search/Optimization

Models, Parameters

P(c =1 x) = eα+βx

1+ eα+βx11/30/16 28

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Page 29: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

LogisZcRegression—when?

LogisZcregressionmodelsareappropriatefortargetvariablecodedas0/1.

Weonlyobserve“0”and“1”forthetargetvariable—butwethinkofthetargetvariableconceptuallyasaprobabilitythat“1”willoccur.

This means we use Bernoulli distribution to model the target variable with its Bernoulli parameter p=p(y=1|x) predefined. The main interest è predicting the probability that an event occurs (i.e., the probability that p(y=1|x) ).

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Page 30: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

0.0

0.2

0.4

0.6

0.8

1.0e.g.Probabilityofdisease

x

P (C=1|X)

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DiscriminaZve LogisZcregressionmodelsforbinarytargetvariablecoded0/1.

P(c =1 x) = eα+βx

1+ eα+βx

ln P(c =1| x)P(c = 0 | x)!

"#

$

%&= ln

P(c =1| x)1−P(c =1| x)!

"#

$

%&=α +β1x1 +β2x2 +...+βpxp

logisZcfuncZon

LogitfuncZon

DecisionBoundaryèequalstozero

Dr.YanjunQi/UVACS6316/f16

Page 31: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Discriminative vs. Generative GeneraZveapproach-ModelthejointdistribuZonp(X,C)using p(X|C=ck)andp(C=ck)DiscriminaZveapproach-ModelthecondiZonaldistribuZonp(c|X)directly

Classprior

e.g.,

Page 32: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Discriminative vs. Generative

●  Empirically,generaZveclassifiersapproachtheirasymptoZcerrorfasterthandiscriminaZveones○  Goodforsmalltrainingset○  Handlemissingdatawell(EM)

●  Empirically,discriminaZveclassifiershavelowerasymptoZcerrorthangeneraZveones○  Goodforlargertrainingset

Page 33: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(4) K-Nearest Neighbor

classification

Local Smoothness

EPE with L2 loss è conditional mean

NA

Training Samples

Task

Representation

Score Function

Search/Optimization

Models, Parameters

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Dr.YanjunQi/UVACS6316/f16

Page 34: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

•  k-Nearest neighbor classifier is a lazy learner – Does not build model explicitly. – Unlike eager learners such as decision tree

induction and rule-based systems. – Classifying unknown samples is relatively

expensive. •  k-Nearest neighbor classifier is a local model,

vs. global model of linear classifiers.

Nearest neighbor classification

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Page 35: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(5) Decision Tree / Random Forest

Greedy to find partitions

Split Purity measure / e.g. IG / cross-entropy / Gini /

Tree Model (s), i.e. space partition

Task

Representation

Score Function

Search/Optimization

Models, Parameters

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Classification

Partition feature space into set of rectangles, local smoothness

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Anatomyofadecisiontree

overcast

high normal falsetrue

sunny rain

No NoYes Yes

Yes

Outlook

HumidityWindy

Eachnodeisatestononefeature/aVribute

PossibleaJributevaluesofthenode

Leavesarethedecisions

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Page 37: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Decisiontrees•  DecisiontreesrepresentadisjuncZonofconjuncZonsofconstraintsontheaJributevaluesofinstances.

•  (Outlook ==overcast) •  OR •  ((Outlook==rain) and (Windy==false)) •  OR •  ((Outlook==sunny) and (Humidity=normal)) •  => yes play tennis

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InformaIongain

•  IG(X_i,Y)=H(Y)-H(Y|X_i)ReducZoninuncertaintybyknowingafeatureX_i

InformaZongain:=(informaZonbeforesplit)–(informaZonawersplit)=entropy(parent)–[averageentropy(children)]

Fixed thelower,thebeJer(childrennodesarepurer)

– ForIG,thehigher,thebeJer=

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Page 39: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

RandomForestClassifierNexamples

....…

....…

Takehemajorityvote

Mfeatures

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Page 40: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(6) Neural Network

conditional Log-likelihood , Cross-Entropy / MSE

SGD / Backprop

NN network Weights

Task

Representation

Score Function

Search/Optimization

Models, Parameters

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Classification / Regression

Multilayer Network topology

Dr.YanjunQi/UVACS6316/f16

Page 41: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

Logistic regression

Logistic regression could be illustrated as a module

On input x, it outputs ŷ:

where

Draw a logisticregression unit as:

Σ

x1

x2

x3

+1

ŷ=P(Y=1|X,Θ)wT !x + b

11+ e− z

Bias

Summing function

Activation function

Output

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Page 42: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

MulZ-LayerPerceptron(MLP)String a lot of logistic units together. Example: 3 layer network:

x1

x2

x3

+1 +1

a3

a2

a1

Layer1 Layer2

Layer3

hiddeninput output

y

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Backpropagation

●  Back-propagaZontrainingalgorithm

Network activation Forward Step

Error propagation Backward Step

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Page 44: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

DeepLearningWay:Learningfeatures/RepresentaIonfromdata

Feature Engineering ü  Most critical for accuracy ü   Account for most of the computation for testing ü   Most time-consuming in development cycle ü   Often hand-craft and task dependent in practice

Feature Learning ü  Easily adaptable to new similar tasks ü  Layerwise representation ü  Layer-by-layer unsupervised training ü  Layer-by-layer supervised training 4411/30/16

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Today

q ReviewofMLmethodscoveredsofarq Regression(supervised)q ClassificaZon(supervised)q Unsupervisedmodelsq Learningtheory

q ReviewofAssignmentscoveredsofar

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Dr.YanjunQi/UVACS6316/f16

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Whatwehavecovered(III)

q Unsupervisedmodels– DimensionReducZon(PCA)– Hierarchicalclustering– K-meansclustering– GMM/EMclustering

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AnunlabeledDatasetX

•  Data/points/instances/examples/samples/records:[rows]•  Features/a0ributes/dimensions/independentvariables/covariates/predictors/regressors:[columns]

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a data matrix of n observations on p variables x1,x2,…xp

Unsupervisedlearning=learningfromraw(unlabeled,unannotated,etc)data,asopposedtosuperviseddatawherealabelofexamplesisgiven

Dr.YanjunQi/UVACS6316/f16

Page 48: UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22 ...€¦ · UVA CS 6316/4501 – Fall 2016 Machine Learning Lecture 22: Review Dr. Yanjun Qi University of Virginia Department

(0) Principal Component Analysis

Dimension Reduction

Gaussian assumption

Direction of maximum variance

Eigen-decomp

Principal components

Task

Representation

Score Function

Search/Optimization

Models, Parameters

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Whatwehavecovered(III)

q Unsupervisedmodels– DimensionReducZon(PCA)– Hierarchicalclustering– K-meansclustering– GMM/EMclustering

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•  Find groups (clusters) of data points such that data points in a group will be similar (or related) to one another and different from (or unrelated to) the data points in other groups

Whatisclustering?

Inter-cluster distances are maximized

Intra-cluster distances are

minimized

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Issuesforclustering•  Whatisanaturalgroupingamongtheseobjects?

–  DefiniZonof"groupness"•  Whatmakesobjects“related”?

–  DefiniZonof"similarity/distance"•  RepresentaZonforobjects

–  Vectorspace?NormalizaZon?•  Howmanyclusters?

–  Fixedapriori?–  Completelydatadriven?

•  Avoid“trivial”clusters-toolargeorsmall•  ClusteringAlgorithms

–  ParZZonalalgorithms–  Hierarchicalalgorithms

•  FormalfoundaZonandconvergence51

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ClusteringAlgorithms

•  ParZZonalalgorithms– Usuallystartwitharandom(parZal)parZZoning

–  RefineititeraZvely•  Kmeansclustering•  Mixture-Modelbasedclustering

•  Hierarchicalalgorithms–  BoJom-up,agglomeraZve–  Top-down,divisive

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(1) Hierarchical Clustering

Clustering

Distance measure

No clearly defined loss

greedy bottom-up (or top-down)

Dendrogram (tree)

Task

Representation

Score Function

Search/Optimization

Models, Parameters

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Example: single link

⎥⎥⎥

⎢⎢⎢

04507

0

54)3,2,1(

54)3,2,1(

12 3 4

5

⎥⎥⎥⎥

⎢⎢⎢⎢

0458079

030

543)2,1(

543)2,1(

⎥⎥⎥⎥⎥⎥

⎢⎢⎢⎢⎢⎢

0458907910

03602

0

54321

54321

5},min{ 5),3,2,1(4),3,2,1()5,4(),3,2,1( == ddd

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(2) K-means Clustering

Clustering

Spherical clusters

Sum-of-square distance to centroid

K-means (special case of EM) algorithm

Cluster membership &

centroid

Task

Representation

Score Function

Search/Optimization

Models, Parameters

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56

K-meansClustering:Step2-Determinethemembershipofeachdatapoints

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(3) GMM Clustering

Clustering

Likelihood

EM algorithm

Each point’s soft membership &

mean / covariance per cluster

Task

Representation

Score Function

Search/Optimization

Models, Parameters

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MixtureofGaussians

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log p(x = xi )i=1

n

∏i∑ = log p(µ = µ j )

1

2π( )p/2Σ j

1/2e−1

2!x−!µ j( )T Σ j

−1 !x−!µ j( )

µ j

∑⎡

⎢⎢⎢

⎥⎥⎥i

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58

ExpectaZon-MaximizaZonfortrainingGMM

•  Start:– "Guess"thecentroidmkandcovarianceSkofeachoftheKclusters

•  Loop each cluster, revising both the mean (centroid position) and covariance (shape)

Dr.YanjunQi/UVACS6316/f16

For each point, revising its proportions belonging to each of the K clusters

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Compare:K-means

•  TheEMalgorithmformixturesofGaussiansislikea"sowversion"oftheK-meansalgorithm.

•  IntheK-means“E-step”wedohardassignment:

•  IntheK-means“M-step”weupdatethemeansastheweightedsumofthedata,butnowtheweightsare0or1:

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Today

q ReviewofMLmethodscoveredsofarq Regression(supervised)q ClassificaZon(supervised)q Unsupervisedmodelsq Learningtheory

q ReviewofAssignmentscoveredsofar

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Whatwehavecovered(IV)

q Learningtheory/ModelselecZon– K-foldscrossvalidaZon– ExpectedpredicZonerror– Biasandvariancetradeoff

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CV-basedModelSelecZonWe’retryingtodecidewhichalgorithm/

hyperparametertouse.•  Wetraineachmodelandmakeatable...

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Hyperparametertuning….

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Whichkindofcross-validaZon?

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Whatwehavecovered(IV)

q Learningtheory/ModelselecZon– K-foldscrossvalidaZon– ExpectedpredicZonerror– Biasandvariancetradeoff

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StaZsZcalDecisionTheory

•  Random input vector: X •  Random output variable:Y •  Joint distribution: Pr(X,Y ) •  Loss function L(Y, f(X))

•  Expected prediction error (EPE): • 

EPE( f ) = E(L(Y, f (X))) = L(y, f (x))∫ Pr(dx,dy)

e.g. = (y − f (x))2∫ Pr(dx,dy)Consider

population distribution

e.g. Squared error loss (also called L2 loss )

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Bias-VarianceTrade-offforEPE:

EPE (x_0) = noise2 + bias2 + variance

Unavoidable error

Error due to incorrect

assumptions

Error due to variance of training

samples

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Bias-Variance Tradeoff / Model Selection

67

underfit region overfit region

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Model “bias” & Model “variance”

•  Middle RED: –  TRUE function

•  Error due to bias: –  How far off in general

from the middle red

•  Error due to variance: –  How wildly the blue

points spread

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needtomakeassumpZonsthatareabletogeneralize

•  Components of generalization error –  Bias: how much the average model over all training sets differ from

the true model? •  Error due to inaccurate assumptions/simplifications made by the

model –  Variance: how much models estimated from different training sets

differ from each other •  Underfitting: model is too “simple” to represent all the

relevant class characteristics –  High bias and low variance –  High training error and high test error

•  Overfitting: model is too “complex” and fits irrelevant characteristics (noise) in the data –  Low bias and high variance –  Low training error and high test error

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Today

q ReviewofMLmethodscoveredsofarq Regression(supervised)q ClassificaZon(supervised)q Unsupervisedmodelsq Learningtheory

q ReviewofAssignmentscoveredsofar

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Task

Machine Learning in a Nutshell

Representation

Score Function

Search/Optimization

Models, Parameters

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MLgrewoutofworkinAIOp#mizeaperformancecriterionusingexampledataorpastexperience,Aimingtogeneralizetounseendata

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Whatwehavecoveredforeachcomponent

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Task Regression,classificaZon,clustering,dimen-reducZon

RepresentaIon

Linearfunc,nonlinearfuncZon(e.g.polynomialexpansion),locallinear,logisZcfuncZon(e.g.p(c|x)),tree,mulZ-layer,prob-densityfamily(e.g.Bernoulli,mulZnomial,Gaussian,mixtureofGaussians),localfuncsmoothness,kernelmatrix,localsmoothness,parZZonoffeaturespace,

ScoreFuncIon

MSE,Margin,log-likelihood,EPE(e.g.L2lossforKNN,0-1lossforBayesclassifier),cross-entropy,clusterpointsdistancetocenters,variance,condiZonallog-likelihood,completedata-likelihood,regularizedlossfunc(e.g.L1,L2),

Search/OpImizaIon

NormalequaZon,gradientdescent,stochasZcGD,Newton,Linearprogramming,QuadraZcprogramming(quadraZcobjecZvewithlinearconstraints),greedy,EM,asyn-SGD,eigenDecomp,backprop

Models,Parameters

Linearweightvector,basisweightvector,localweightvector,dualweights,trainingsamples,tree-dendrogram,mulZ-layerweights,principlecomponents,member(sow/hard)assignment,clustercentroid,clustercovariance(shape),…

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Today

q ReviewofMLmethodscoveredsofarq Regression(supervised)q ClassificaZon(supervised)q Unsupervisedmodelsq Learningtheory

q ReviewofAssignmentscoveredsofar

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HW1

•  Q1:Linearalgebrareview•  Q2:Linearregression+LOOCV

– Regression– EvaluaZonpipeline

•  Q3:MachinelearningpipelinepracZce– Basicpipeline– GUIToolbox– EvaluaZon

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Task

Representation

Score Function

Search/Optimization

Models, Parameters

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HW2

•  Q1:Linearregressionmodelfi~ng– Dataloading–  Basiclinearregression–  Threewaystotrain:NormalequaZon/SGD/BatchGD

–  Polynomialregression

•  Q2:Ridgeregression– MathderivaZonofridge– Understandwhy/howRidge– ModelselecZonofRidgewithK-CV11/30/16

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Task

Representation

Score Function

Search/Optimization

Models, Parameters

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HW3

•  Q1:SupportVectorMachineswithScikit-Learn– Datapreprocessing– HowtouseSVMpackage– ModelselecZonforSVM– ModelselecZonpipelinewithtrain-vali,ortrain-CV;thentest

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Task

Representation

Score Function

Search/Optimization

Models, Parameters

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HW5

•  Q1:NaiveBayesClassifierforText-baseMovieReviewClassificaZon– Preprocessingoftextsamples– BOWDocumentRepresentaZon– MulZnomialNaiveBayesClassifier

•  BOWway•  Languagemodelway

–  MulZvariateBernoulliNaiveBayesClassifier

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77

Task

Representation

Score Function

Search/Optimization

Models, Parameters

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HW6

•  Q1:NeuralNetworkTensorflowPlayground–  InteracZvelearningofMLP– Featureengineeringvs.– Featurelearning

•  Q2:ImageClassificaZon– Toolusing– DT/KNN/SVM– PCAeffectforimageclassificaZon

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Task

Representation

Score Function

Search/Optimization

Models, Parameters

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HW6

•  Q3:UnsupervisedClusteringofaudiodataandconsensusdata– Dataloading– K-meanclustering– GMMclustering– HowtofindK:knee-findingplot– Howtomeasureclustering:purityMetric

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Task

Representation

Score Function

Search/Optimization

Models, Parameters

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References

q HasZe,Trevor,etal.TheelementsofstaZsZcallearning.Vol.2.No.1.NewYork:Springer,2009.

q Prof.M.A.Papalaskar’sslidesq Prof.AndrewNg’sslides

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