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Numerical Integration Cheng Soon Ong Marc Peter Deisenroth December 2020 M a r c D e i s e n r o t h a nd C h e n g S o on O n g s T u t o r i al a t C M

NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

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Page 1: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Numerical Integration

Cheng Soon OngMarc Peter Deisenroth

December 2020

Ma

r

c Deis

e

n

r

o

t

h and Ch

e

n

g

S

oon

Ong

’s

Tu

t

or

ial

a

t

CM

Page 2: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Setting

x1 x2 x3xN

f (x1)

f (x2)

f (x3)

f (xN)

! Approximate∫ b

a

f(x)dx ≈N∑

n=1

wnf(xn), x ∈ R

! Nodes xn and corresponding function values f(xn)1

Page 3: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Numerical integration (quadrature)

x1 x2 x3xN

f (x1)

f (x2)

f (x3)

f (xN)

Key ideaApproximate f using an interpolating function that is easy to integrate(e.g., polynomial)

2

Page 4: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Quadrature approaches

x1 x2 x3xN

f (x1)

f (x2)

f (x3)

f (xN)

Quadrature Interpolant NodesNewton–Cotes low-degree polynomials equidistantGaussian orthogonal polynomials roots of polynomialBayesian Gaussian process user defined

3

Page 5: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Newton–Cotes Quadrature

Page 6: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Overview

a = x0 x1 x2

f (x0)

f (x1)

xN = b

f (x2)

f (xN)

! Equidistant nodes a = x0, . . . , xN = b Partition interval [a, b]! Approximate f in each partition with a low-degree polynomial

! Compute integral for each partition analytically and sum them up

4

Page 7: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Overview

a = x0 x1 x2

f (x0)

f (x1)

xN = b

f (x2)

f (xN)

! Equidistant nodes a = x0, . . . , xN = b Partition interval [a, b]! Approximate f in each partition with a low-degree polynomial! Compute integral for each partition analytically and sum them up

4

Page 8: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Trapezoidal rule

xn°1 xn xn+1

f(x)

! Partition [a, b] into N segments with equidistant nodesxn

! Locally linear approximation of f between nodes

5

Page 9: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Trapezoidal rule (2)

xn°1 xn xn+1

f(x)

! Area of a trapezoid with corners(xn, xn+1, f(xn+1), f(xn))

∫ xn+1

xn

f(x)dx ≈ h

2

(f(xn) + f(xn+1)

)

h := |xn+1 − xn| Distance between nodes

! Error O(h2)

! Full integral:∫ b

a

f(x)dx ≈ h

2

(f0 + 2f1 + · · ·+ 2fN−1 + fN

), fn := f(xn)

6

Page 10: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Trapezoidal rule (2)

xn°1 xn xn+1

f(x)

! Area of a trapezoid with corners(xn, xn+1, f(xn+1), f(xn))

∫ xn+1

xn

f(x)dx ≈ h

2

(f(xn) + f(xn+1)

)

h := |xn+1 − xn| Distance between nodes

! Error O(h2)

! Full integral:∫ b

a

f(x)dx ≈ h

2

(f0 + 2f1 + · · ·+ 2fN−1 + fN

), fn := f(xn)

6

Page 11: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Trapezoidal rule (2)

xn°1 xn xn+1

f(x)

! Area of a trapezoid with corners(xn, xn+1, f(xn+1), f(xn))

∫ xn+1

xn

f(x)dx ≈ h

2

(f(xn) + f(xn+1)

)

h := |xn+1 − xn| Distance between nodes

! Error O(h2)

! Full integral:∫ b

a

f(x)dx ≈ h

2

(f0 + 2f1 + · · ·+ 2fN−1 + fN

), fn := f(xn)

6

Page 12: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Simpson’s rule

xn°1 xn xn+1

f(x)

! Partition [a, b] into N segments with equidistant nodesxn

! Locally quadratic approximation of f connectingtriplets

(f(xn−1), f(xn), f(xn+1)

)

7

Page 13: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Simpson’s rule (2)

xn°1 xn xn+1

f(x)

! Area of segment:xn+1∫

xn−1

f(x)dx ≈ h

3(fn−1 + 4fn + fn+1)

h := |xn+1 − xn| Distance between nodes

! Error: O(h4)! Full integral:

∫ b

a

f(x)dx ≈ h

3(f0 + 4f1 + 2f2 + 4f3 + 2f4 + · · ·+ 4fN−2 + 2fN−1 + fN

)

8

Page 14: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Simpson’s rule (2)

xn°1 xn xn+1

f(x)

! Area of segment:xn+1∫

xn−1

f(x)dx ≈ h

3(fn−1 + 4fn + fn+1)

h := |xn+1 − xn| Distance between nodes

! Error: O(h4)

! Full integral:∫ b

a

f(x)dx ≈ h

3(f0 + 4f1 + 2f2 + 4f3 + 2f4 + · · ·+ 4fN−2 + 2fN−1 + fN

)

8

Page 15: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Simpson’s rule (2)

xn°1 xn xn+1

f(x)

! Area of segment:xn+1∫

xn−1

f(x)dx ≈ h

3(fn−1 + 4fn + fn+1)

h := |xn+1 − xn| Distance between nodes

! Error: O(h4)! Full integral:

∫ b

a

f(x)dx ≈ h

3(f0 + 4f1 + 2f2 + 4f3 + 2f4 + · · ·+ 4fN−2 + 2fN−1 + fN

)

8

Page 16: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example

∫ 1

0

exp(−x2−sin(3x)2)dx

xn°1 xn xn+1

f(x)

Observed function valuesTrue functionSimpson’s ruleTrapezoidal rule

! Simpson’s rule yields better approximations! Very good approximations obtained fairly quickly

9

Page 17: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example

∫ 1

0

exp(−x2−sin(3x)2)dx

xn°1 xn xn+1

f(x)

Observed function valuesTrue functionSimpson’s ruleTrapezoidal rule

0 20 40 60 80 100Number of nodes

10°7

10°6

10°5

10°4

10°3

10°2

10°1

Inte

grat

ion

erro

r

TrapezoidalSimpson

! Simpson’s rule yields better approximations! Very good approximations obtained fairly quickly

9

Page 18: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Summary: Newton–Cotes quadrature

! Approximate integrand between equidistant nodeswith a low-degree polynomial (up to degree 6)

! Trapezoidal rule: linear interpolation! Simpson’s rule: quadratic interpolation

Better approximation and smaller integration error

xn°1 xn xn+1

f(x)

Observed function valuesTrue functionSimpson’s ruleTrapezoidal rule

10

Page 19: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Gaussian Quadrature

Page 20: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Gaussian quadrature

! Named after Carl Friedrich Gauß

! Quadrature scheme that no longer relies on equidistant nodes Higher accuracy! Central approximation

∫ b

a

f(x)w(x)dx ≈N∑

n=1

wnf(xn)

! Weight function w(x) ≥ 0 (and some other integration-related properties, whichare satisfied if w(x) is a pdf)

! Goal: Find nodes xn and weights wn, so that the approximation error is minimized

11

Page 21: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Gaussian quadrature

! Named after Carl Friedrich Gauß! Quadrature scheme that no longer relies on equidistant nodes Higher accuracy

! Central approximation∫ b

a

f(x)w(x)dx ≈N∑

n=1

wnf(xn)

! Weight function w(x) ≥ 0 (and some other integration-related properties, whichare satisfied if w(x) is a pdf)

! Goal: Find nodes xn and weights wn, so that the approximation error is minimized

11

Page 22: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Gaussian quadrature

! Named after Carl Friedrich Gauß! Quadrature scheme that no longer relies on equidistant nodes Higher accuracy! Central approximation

∫ b

a

f(x)w(x)dx ≈N∑

n=1

wnf(xn)

! Weight function w(x) ≥ 0 (and some other integration-related properties, whichare satisfied if w(x) is a pdf)

! Goal: Find nodes xn and weights wn, so that the approximation error is minimized

11

Page 23: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Gaussian quadrature

! Named after Carl Friedrich Gauß! Quadrature scheme that no longer relies on equidistant nodes Higher accuracy! Central approximation

∫ b

a

f(x)w(x)dx ≈N∑

n=1

wnf(xn)

! Weight function w(x) ≥ 0 (and some other integration-related properties, whichare satisfied if w(x) is a pdf)

! Goal: Find nodes xn and weights wn, so that the approximation error is minimized

11

Page 24: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Gaussian quadrature

! Named after Carl Friedrich Gauß! Quadrature scheme that no longer relies on equidistant nodes Higher accuracy! Central approximation

∫ b

a

f(x)w(x)dx ≈N∑

n=1

wnf(xn)

! Weight function w(x) ≥ 0 (and some other integration-related properties, whichare satisfied if w(x) is a pdf)

! Goal: Find nodes xn and weights wn, so that the approximation error is minimized

11

Page 25: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Central idea

! Quadrature nodes xn are the roots of a family of orthogonal polynomials

Nodes no longer equidistant! Exact if f is a polynomial of degree ≤ 2N − 1, i.e.,

∫ b

a

f(x)w(x)dx =N∑

n=1

wnf(xn)

Integral can be computed exactly by evaluating f N times at the optimallocations xn (roots of an orthogonal polynomial) with corresponding optimalweights wn

More accurate than Newton–Cotes for the same number of evaluations (withsome memory overhead)

12

Page 26: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Central idea

! Quadrature nodes xn are the roots of a family of orthogonal polynomialsNodes no longer equidistant

! Exact if f is a polynomial of degree ≤ 2N − 1, i.e.,∫ b

a

f(x)w(x)dx =N∑

n=1

wnf(xn)

Integral can be computed exactly by evaluating f N times at the optimallocations xn (roots of an orthogonal polynomial) with corresponding optimalweights wn

More accurate than Newton–Cotes for the same number of evaluations (withsome memory overhead)

12

Page 27: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Central idea

! Quadrature nodes xn are the roots of a family of orthogonal polynomialsNodes no longer equidistant

! Exact if f is a polynomial of degree ≤ 2N − 1, i.e.,∫ b

a

f(x)w(x)dx =N∑

n=1

wnf(xn)

Integral can be computed exactly by evaluating f N times at the optimallocations xn (roots of an orthogonal polynomial) with corresponding optimalweights wn

More accurate than Newton–Cotes for the same number of evaluations (withsome memory overhead)

12

Page 28: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Central idea

! Quadrature nodes xn are the roots of a family of orthogonal polynomialsNodes no longer equidistant

! Exact if f is a polynomial of degree ≤ 2N − 1, i.e.,∫ b

a

f(x)w(x)dx =N∑

n=1

wnf(xn)

Integral can be computed exactly by evaluating f N times at the optimallocations xn (roots of an orthogonal polynomial) with corresponding optimalweights wn

More accurate than Newton–Cotes for the same number of evaluations (withsome memory overhead)

12

Page 29: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example: Gauß–Hermite quadrature

! Solve∫

f(x) exp(−x2)

w(x)

dx =

∫f(x)

√2πN

(x∣∣0, 1

)dx = Ex∼N (0,1)[

√2πf(x)]

! With change-of-variables trick Expectation w.r.t. a Gaussian measure

Ex∼N (µ,σ2)[f(x)] ≈1√π

N∑

n=1

wnf(√2σxn + µ).

13

Page 30: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example: Gauß–Hermite quadrature

! Solve∫

f(x) exp(−x2)

w(x)

dx =

∫f(x)

√2πN

(x∣∣0, 1

)dx = Ex∼N (0,1)[

√2πf(x)]

! With change-of-variables trick Expectation w.r.t. a Gaussian measure

Ex∼N (µ,σ2)[f(x)] ≈1√π

N∑

n=1

wnf(√2σxn + µ).

13

Page 31: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example: Gauß–Hermite quadrature (2)

! Follow general approximation scheme∫

f(x) exp(−x2)

w(x)

dx ≈N∑

n=1

wnf(xn)

! Nodes x1, . . . , xN are the roots of Hermite polynomial

HN(x) := (−1)n exp(x2

2

) dn

dxnexp(−x2)

! Weights wn are

wn :=2N−1N !

√π

N2H2N−1(xn)

14

Page 32: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example: Gauß–Hermite quadrature (2)

! Follow general approximation scheme∫

f(x) exp(−x2)

w(x)

dx ≈N∑

n=1

wnf(xn)

! Nodes x1, . . . , xN are the roots of Hermite polynomial

HN(x) := (−1)n exp(x2

2

) dn

dxnexp(−x2)

! Weights wn are

wn :=2N−1N !

√π

N2H2N−1(xn)

14

Page 33: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example: Gauß–Hermite quadrature (2)

! Follow general approximation scheme∫

f(x) exp(−x2)

w(x)

dx ≈N∑

n=1

wnf(xn)

! Nodes x1, . . . , xN are the roots of Hermite polynomial

HN(x) := (−1)n exp(x2

2

) dn

dxnexp(−x2)

! Weights wn are

wn :=2N−1N !

√π

N2H2N−1(xn)

14

Page 34: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Overview (Stoer & Bulirsch, 2002)

∫ b

a

w(x)f(x)dx ≈N∑

n=1

wnf(xn)

[a, b] w(x) Orthogonal polynomial[−1, 1] 1 Legendre polynomials[−1, 1] (1− x2)−

12 Chebychev polynomials

[0,∞] exp(−x) Laguerre polynomials[−∞,∞] exp(−x2) Hermite polynomials

15

Page 35: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Application areas

! Probabilities for rectangular bivariate/trivariate Gaussian and t distributions(Genz, 2004)

! Integrating out (marginalizing) a few hyper-parameters in a latent-variable model(INLA; Rue et al., 2009)

! Predictions with a Gaussian process classifier (GPFlow; Matthews et al., 2017)

16

Page 36: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Summary: Gaussian quadrature

! Orthogonal polynomials to approximate f! Nodes are the roots of the polynomial! Higher accuracy than Newton–Cotes! Method of choice for low-dimensional problems (1–3 dimensions)

! Can’t naturally deal with noisy observations! Only works in low dimensions! Approaches that scale better with dimensionality

Bayesian quadrature (up to ≈ 10 dimensions)Monte Carlo estimation (high dimensions)

17

Page 37: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Summary: Gaussian quadrature

! Orthogonal polynomials to approximate f! Nodes are the roots of the polynomial! Higher accuracy than Newton–Cotes! Method of choice for low-dimensional problems (1–3 dimensions)! Can’t naturally deal with noisy observations! Only works in low dimensions

! Approaches that scale better with dimensionalityBayesian quadrature (up to ≈ 10 dimensions)Monte Carlo estimation (high dimensions)

17

Page 38: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Summary: Gaussian quadrature

! Orthogonal polynomials to approximate f! Nodes are the roots of the polynomial! Higher accuracy than Newton–Cotes! Method of choice for low-dimensional problems (1–3 dimensions)! Can’t naturally deal with noisy observations! Only works in low dimensions! Approaches that scale better with dimensionality

Bayesian quadrature (up to ≈ 10 dimensions)Monte Carlo estimation (high dimensions)

17

Page 39: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian Quadrature

Page 40: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Setting and key idea

Z :=

∫f(x)p(x)dx = Ex∼p[f(x)]

! Function f is expensive to evaluate! Integration in moderate (≤ 10) dimensions! Deal with noisy function observations

Key idea! Phrase quadrature as a statistical inference problem

Probabilistic numerics (e.g., Hennig et al., 2015; Briol et al., 2015)! Estimate distribution on Z using a dataset D :=

{(x1, f(x1)), . . . , (xN , f(xN))

}

18

Page 41: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Setting and key idea

Z :=

∫f(x)p(x)dx = Ex∼p[f(x)]

! Function f is expensive to evaluate! Integration in moderate (≤ 10) dimensions! Deal with noisy function observations

Key idea! Phrase quadrature as a statistical inference problem

Probabilistic numerics (e.g., Hennig et al., 2015; Briol et al., 2015)! Estimate distribution on Z using a dataset D :=

{(x1, f(x1)), . . . , (xN , f(xN))

}

18

Page 42: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: How it works

Z :=

∫f(x)p(x)dx = Ex∼p[f(x)]

! Estimate distribution on Z using a datasetD :=

{(x1, f(x1)), . . . , (xN , f(xN))

}

! Place (Gaussian process) prior distribution on fand determine the posterior via Bayes’ theorem(Diaconis 1988; O’Hagan 1991; Rasmussen &Ghahramani 2003)

Distribution on f induces a distribution on Z! Generalizes to noisy function observations

y = f(x) + ε

°3 °2 °1 0 1 2 3x

°3

°2

°1

0

1

2

3

f(x)

ObservationsIntegrandModel

19

Page 43: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: How it works

Z :=

∫f(x)p(x)dx = Ex∼p[f(x)]

! Estimate distribution on Z using a datasetD :=

{(x1, f(x1)), . . . , (xN , f(xN))

}

! Place (Gaussian process) prior distribution on fand determine the posterior via Bayes’ theorem(Diaconis 1988; O’Hagan 1991; Rasmussen &Ghahramani 2003)

Distribution on f induces a distribution on Z

! Generalizes to noisy function observationsy = f(x) + ε

°3 °2 °1 0 1 2 3x

°3

°2

°1

0

1

2

3

f(x)

ObservationsIntegrandModel

19

Page 44: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: How it works

Z :=

∫f(x)p(x)dx = Ex∼p[f(x)]

! Estimate distribution on Z using a datasetD :=

{(x1, f(x1)), . . . , (xN , f(xN))

}

! Place (Gaussian process) prior distribution on fand determine the posterior via Bayes’ theorem(Diaconis 1988; O’Hagan 1991; Rasmussen &Ghahramani 2003)

Distribution on f induces a distribution on Z! Generalizes to noisy function observations

y = f(x) + ε

°3 °2 °1 0 1 2 3x

°3

°2

°1

0

1

2

3

f(x)

ObservationsIntegrandModel

19

Page 45: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Details

Z :=

∫f(x)p(x)dx), f ∼ GP (0, k)

! Exploit linearity of the integral (integral of a GP is another GP)

p(Z) = p

(∫f(x)p(x)dx)

)= N

(Z∣∣µZ , σ

2Z

)

µZ =

∫µpost(x)p(x)dx = Ex[µpost(x)]

σ2Z =

∫∫kpost(x,x

′)p(x)p(x′)dxdx′ = Ex,x′ [kpost(x,x′)]

20

Page 46: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Details

Z :=

∫f(x)p(x)dx), f ∼ GP (0, k)

! Exploit linearity of the integral (integral of a GP is another GP)

p(Z) = p

(∫f(x)p(x)dx)

)= N

(Z∣∣µZ , σ

2Z

)

µZ =

∫µpost(x)p(x)dx = Ex[µpost(x)]

σ2Z =

∫∫kpost(x,x

′)p(x)p(x′)dxdx′ = Ex,x′ [kpost(x,x′)]

20

Page 47: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Details

Z :=

∫f(x)p(x)dx), f ∼ GP (0, k)

! Exploit linearity of the integral (integral of a GP is another GP)

p(Z) = p

(∫f(x)p(x)dx)

)= N

(Z∣∣µZ , σ

2Z

)

µZ =

∫µpost(x)p(x)dx = Ex[µpost(x)]

σ2Z =

∫∫kpost(x,x

′)p(x)p(x′)dxdx′ = Ex,x′ [kpost(x,x′)]

20

Page 48: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Details

Z :=

∫f(x)p(x)dx), f ∼ GP (0, k)

! Exploit linearity of the integral (integral of a GP is another GP)

p(Z) = p

(∫f(x)p(x)dx)

)= N

(Z∣∣µZ , σ

2Z

)

µZ =

∫µpost(x)p(x)dx = Ex[µpost(x)]

σ2Z =

∫∫kpost(x,x

′)p(x)p(x′)dxdx′ = Ex,x′ [kpost(x,x′)]

20

Page 49: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Details

Z :=

∫f(x)p(x)dx), f ∼ GP (0, k)

! Exploit linearity of the integral (integral of a GP is another GP)

p(Z) = p

(∫f(x)p(x)dx)

)= N

(Z∣∣µZ , σ

2Z

)

µZ =

∫µpost(x)p(x)dx = Ex[µpost(x)]

σ2Z =

∫∫kpost(x,x

′)p(x)p(x′)dxdx′ = Ex,x′ [kpost(x,x′)]

20

Page 50: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Mean

Ef [Z] = µZ =

expectedpredictive mean

Ex∼p[µpost(x)]

µpost(x) = k(x,X)K−1y=:α

, K := k(X,X)

Ef [Z] =

=:z#

∫k(x,X)p(x)dxα = z$α

zn =

∫k(x,xn)p(x)dx = Ex∼p[k(x,xn)]

Z =

∫f(x)p(x)dx

f ∼ GP (0, k)

p(Z) = N(Z∣∣µZ , σ

2Z

)

Training data: X,y

21

Page 51: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Mean

Ef [Z] = µZ =

expectedpredictive mean

Ex∼p[µpost(x)]

µpost(x) = k(x,X)K−1y=:α

, K := k(X,X)

Ef [Z] =

=:z#

∫k(x,X)p(x)dxα = z$α

zn =

∫k(x,xn)p(x)dx = Ex∼p[k(x,xn)]

Z =

∫f(x)p(x)dx

f ∼ GP (0, k)

p(Z) = N(Z∣∣µZ , σ

2Z

)

Training data: X,y

21

Page 52: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Mean

Ef [Z] = µZ =

expectedpredictive mean

Ex∼p[µpost(x)]

µpost(x) = k(x,X)K−1y=:α

, K := k(X,X)

Ef [Z] =

=:z#

∫k(x,X)p(x)dxα = z$α

zn =

∫k(x,xn)p(x)dx = Ex∼p[k(x,xn)]

Z =

∫f(x)p(x)dx

f ∼ GP (0, k)

p(Z) = N(Z∣∣µZ , σ

2Z

)

Training data: X,y

21

Page 53: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Variance

Vf [Z] = σ2Z =

expected posterior covariance

Ex,x′∼p[kpost(x,x′)]

=

∫∫k(x,x′)

prior covariance

− k(x,X)K−1k(X,x′)

information from training data

p(x)p(x′)dxdx′

=

∫∫k(x,x′)p(x)p(x′)dxdx′ −

∫k(x,X)p(x)dx

=z#

K−1

∫k(X,x′)p(x′)dx′

=z′

= Ex,x′ [k(x,x′)]− z$K−1z′

= Ex,x′ [k(x,x′)]− Ex[k(x,X)]K−1Ex′ [k(X,x′)]

22

Page 54: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Variance

Vf [Z] = σ2Z =

expected posterior covariance

Ex,x′∼p[kpost(x,x′)]

=

∫∫k(x,x′)

prior covariance

− k(x,X)K−1k(X,x′)

information from training data

p(x)p(x′)dxdx′

=

∫∫k(x,x′)p(x)p(x′)dxdx′ −

∫k(x,X)p(x)dx

=z#

K−1

∫k(X,x′)p(x′)dx′

=z′

= Ex,x′ [k(x,x′)]− z$K−1z′

= Ex,x′ [k(x,x′)]− Ex[k(x,X)]K−1Ex′ [k(X,x′)]

22

Page 55: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Variance

Vf [Z] = σ2Z =

expected posterior covariance

Ex,x′∼p[kpost(x,x′)]

=

∫∫k(x,x′)

prior covariance

− k(x,X)K−1k(X,x′)

information from training data

p(x)p(x′)dxdx′

=

∫∫k(x,x′)p(x)p(x′)dxdx′

−∫

k(x,X)p(x)dx

=z#

K−1

∫k(X,x′)p(x′)dx′

=z′

= Ex,x′ [k(x,x′)]

− z$K−1z′

= Ex,x′ [k(x,x′)]− Ex[k(x,X)]K−1Ex′ [k(X,x′)]

22

Page 56: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Variance

Vf [Z] = σ2Z =

expected posterior covariance

Ex,x′∼p[kpost(x,x′)]

=

∫∫k(x,x′)

prior covariance

− k(x,X)K−1k(X,x′)

information from training data

p(x)p(x′)dxdx′

=

∫∫k(x,x′)p(x)p(x′)dxdx′ −

∫k(x,X)p(x)dx

=z#

K−1

∫k(X,x′)p(x′)dx′

=z′

= Ex,x′ [k(x,x′)]− z$

K−1z′

= Ex,x′ [k(x,x′)]− Ex[k(x,X)]K−1Ex′ [k(X,x′)]

22

Page 57: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Variance

Vf [Z] = σ2Z =

expected posterior covariance

Ex,x′∼p[kpost(x,x′)]

=

∫∫k(x,x′)

prior covariance

− k(x,X)K−1k(X,x′)

information from training data

p(x)p(x′)dxdx′

=

∫∫k(x,x′)p(x)p(x′)dxdx′ −

∫k(x,X)p(x)dx

=z#

K−1

∫k(X,x′)p(x′)dx′

=z′

= Ex,x′ [k(x,x′)]− z$K−1

z′

= Ex,x′ [k(x,x′)]− Ex[k(x,X)]K−1Ex′ [k(X,x′)]

22

Page 58: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Variance

Vf [Z] = σ2Z =

expected posterior covariance

Ex,x′∼p[kpost(x,x′)]

=

∫∫k(x,x′)

prior covariance

− k(x,X)K−1k(X,x′)

information from training data

p(x)p(x′)dxdx′

=

∫∫k(x,x′)p(x)p(x′)dxdx′ −

∫k(x,X)p(x)dx

=z#

K−1

∫k(X,x′)p(x′)dx′

=z′

= Ex,x′ [k(x,x′)]− z$K−1z′

= Ex,x′ [k(x,x′)]− Ex[k(x,X)]K−1Ex′ [k(X,x′)]

22

Page 59: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Bayesian quadrature: Variance

Vf [Z] = σ2Z =

expected posterior covariance

Ex,x′∼p[kpost(x,x′)]

=

∫∫k(x,x′)

prior covariance

− k(x,X)K−1k(X,x′)

information from training data

p(x)p(x′)dxdx′

=

∫∫k(x,x′)p(x)p(x′)dxdx′ −

∫k(x,X)p(x)dx

=z#

K−1

∫k(X,x′)p(x′)dx′

=z′

= Ex,x′ [k(x,x′)]− z$K−1z′

= Ex,x′ [k(x,x′)]− Ex[k(x,X)]K−1Ex′ [k(X,x′)]

22

Page 60: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Computing kernel expectations

Ex∼p[k(x,X)], Ex,x′∼p[k(x,x′)]

! Solve a different (easier) integration problem

Input distribution pKernel k Gaussian non-Gaussian

RBF/polynomial/

trigonometricanalytical

analytical viaimportance-sampling

trick

otherwise Monte Carlo(numerical integration)

Monte Carlo(numerical integration)

23

Page 61: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Computing kernel expectations

Ex∼p[k(x,X)], Ex,x′∼p[k(x,x′)]

! Solve a different (easier) integration problem

Input distribution pKernel k Gaussian non-Gaussian

RBF/polynomial/

trigonometricanalytical

analytical viaimportance-sampling

trick

otherwise Monte Carlo(numerical integration)

Monte Carlo(numerical integration)

23

Page 62: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Kernel expectations in other areas

Ex∼p[k(x,X)], Ex,x′∼p[k(x,x′)]

! Kernel MMD(e.g., Gretton et al., 2012)

! Time-series analysis with Gaussian processes(e.g., Girard et al., 2003)

! Deep Gaussian processes(e.g., Damianou & Lawrence, 2013)

! Model-based RL with Gaussian processes(e.g., Deisenroth & Rasmussen, 2011)

X

Y

Dependence witness and sample

−1.5 −1 −0.5 0 0.5 1 1.5−1.5

−1

−0.5

0

0.5

1

1.5

−0.04

−0.03

−0.02

−0.01

0

0.01

0.02

0.03

0.04

0.05

from Gretton et al. (2012)

from Salimbeni et al. (2019)

from Girard et al. (2003)

from Deisenroth &Rasmussen (2011)

24

Page 63: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Kernel expectations in other areas

Ex∼p[k(x,X)], Ex,x′∼p[k(x,x′)]

! Kernel MMD(e.g., Gretton et al., 2012)

! Time-series analysis with Gaussian processes(e.g., Girard et al., 2003)

! Deep Gaussian processes(e.g., Damianou & Lawrence, 2013)

! Model-based RL with Gaussian processes(e.g., Deisenroth & Rasmussen, 2011)

X

Y

Dependence witness and sample

−1.5 −1 −0.5 0 0.5 1 1.5−1.5

−1

−0.5

0

0.5

1

1.5

−0.04

−0.03

−0.02

−0.01

0

0.01

0.02

0.03

0.04

0.05

from Gretton et al. (2012)

from Salimbeni et al. (2019)

from Girard et al. (2003)

from Deisenroth &Rasmussen (2011)

24

Page 64: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Kernel expectations in other areas

Ex∼p[k(x,X)], Ex,x′∼p[k(x,x′)]

! Kernel MMD(e.g., Gretton et al., 2012)

! Time-series analysis with Gaussian processes(e.g., Girard et al., 2003)

! Deep Gaussian processes(e.g., Damianou & Lawrence, 2013)

! Model-based RL with Gaussian processes(e.g., Deisenroth & Rasmussen, 2011)

X

Y

Dependence witness and sample

−1.5 −1 −0.5 0 0.5 1 1.5−1.5

−1

−0.5

0

0.5

1

1.5

−0.04

−0.03

−0.02

−0.01

0

0.01

0.02

0.03

0.04

0.05

from Gretton et al. (2012)

from Salimbeni et al. (2019)

from Girard et al. (2003)

from Deisenroth &Rasmussen (2011)

24

Page 65: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Kernel expectations in other areas

Ex∼p[k(x,X)], Ex,x′∼p[k(x,x′)]

! Kernel MMD(e.g., Gretton et al., 2012)

! Time-series analysis with Gaussian processes(e.g., Girard et al., 2003)

! Deep Gaussian processes(e.g., Damianou & Lawrence, 2013)

! Model-based RL with Gaussian processes(e.g., Deisenroth & Rasmussen, 2011)

X

Y

Dependence witness and sample

−1.5 −1 −0.5 0 0.5 1 1.5−1.5

−1

−0.5

0

0.5

1

1.5

−0.04

−0.03

−0.02

−0.01

0

0.01

0.02

0.03

0.04

0.05

from Gretton et al. (2012)

from Salimbeni et al. (2019)

from Girard et al. (2003)

from Deisenroth &Rasmussen (2011)

24

Page 66: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Iterative procedure: Where to measure f next?

! Define an acquisition function (similar to Bayesian optimization)

! Example: Choose next node xn+1 so that the variance of the estimator is reducedmaximally (e.g., O’Hagan, 1991; Gunter et al., 2014)

xn+1 = argmaxx∗

currentvariance

V[Z|D]−

newvariance

Ey∗

[V[Z|D∪{(x∗, y∗)}]

]

25

Page 67: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Iterative procedure: Where to measure f next?

! Define an acquisition function (similar to Bayesian optimization)! Example: Choose next node xn+1 so that the variance of the estimator is reduced

maximally (e.g., O’Hagan, 1991; Gunter et al., 2014)

xn+1 = argmaxx∗

currentvariance

V[Z|D]−

newvariance

Ey∗

[V[Z|D∪{(x∗, y∗)}]

]

25

Page 68: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example with EmuKit (Paleyes et al., 2019)

Compute

Z =

∫ 3

−3

e−x2−sin2(3x)dx

°3 °2 °1 0 1 2 3x

0.0

0.2

0.4

0.6

0.8

1.0

f(x)

26

Page 69: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example with EmuKit (Paleyes et al., 2019)

Compute

Z =

∫ 3

−3

e−x2−sin2(3x)dx

! Fit Gaussian process to observationsf(x1), . . . , f(xn) at nodes x1, . . . , xn

°3 °2 °1 0 1 2 3x

°3

°2

°1

0

1

2

3

f(x)

ObservationsIntegrandModel

27

Page 70: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example with EmuKit (Paleyes et al., 2019)

Compute

Z =

∫ 3

−3

e−x2−sin2(3x)dx

! Fit Gaussian process to observationsf(x1), . . . , f(xn) at nodes x1, . . . , xn

! Determine p(Z)

°4 °2 0 2 4Z

0.00

0.05

0.10

0.15

0.20

0.25

p(Z

)

p(Z)

E[Z]

True Z

28

Page 71: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example with EmuKit (Paleyes et al., 2019)

Compute

Z =

∫ 3

−3

e−x2−sin2(3x)dx

! Fit Gaussian process to observationsf(x1), . . . , f(xn) at nodes x1, . . . , xn

! Determine p(Z)! Find and include new measurement

1. Find optimal node xn+1 by maximizingan acquisition function

2. Evaluate integrand at xn+1

3. Update GP with(xn+1, f(xn+1)

) °3 °2 °1 0 1 2 3x

°3

°2

°1

0

1

2

3

f(x)

ObservationsIntegrandModel

29

Page 72: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example with EmuKit (Paleyes et al., 2019)

Compute

Z =

∫ 3

−3

e−x2−sin2(3x)dx

! Fit Gaussian process to observationsf(x1), . . . , f(xn) at nodes x1, . . . , xn

! Determine p(Z)! Find and include new measurement! Compute updated p(Z)

°4 °2 0 2 4Z

0.00

0.05

0.10

0.15

0.20

0.25

0.30

p(Z

)

Initial p(Z)

New p(Z)

Initial E[Z]

New E[Z]

True Z

30

Page 73: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example with EmuKit (Paleyes et al., 2019)

Compute

Z =

∫ 3

−3

e−x2−sin2(3x)dx

! Fit Gaussian process to observationsf(x1), . . . , f(xn) at nodes x1, . . . , xn

! Determine p(Z)! Find and include new measurement! Compute updated p(Z)! Repeat °3 °2 °1 0 1 2 3

x

°0.2

0.0

0.2

0.4

0.6

0.8

1.0

f(x)

ObservationsIntegrandModel

31

Page 74: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Example with EmuKit (Paleyes et al., 2019)

Compute

Z =

∫ 3

−3

e−x2−sin2(3x)dx

! Fit Gaussian process to observationsf(x1), . . . , f(xn) at nodes x1, . . . , xn

! Determine p(Z)! Find and include new measurement! Compute updated p(Z)! Repeat

°4 °2 0 2 4Z

0.0

0.2

0.4

0.6

0.8

1.0p(

Z)

Initial p(Z)

New p(Z)

Initial E[Z]

New E[Z]

True Z

32

Page 75: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

Summary

! Central approximation∫

f(x)dx ≈N∑

n=1

wnf(xn)

! Newton–Cotes: Equidistant nodes xn, low-degreepolynomial approximation of f

! Gaussian quadrature: Nodes xn as the roots ofinterpolating orthogonal polynomials of f

! Bayesian quadrature: Integration as a statistical inferenceproblem; Global approximation of f using a Gaussianprocess; scales to moderate dimensions

a = x0 x1 x2

f (x0)

f (x1)

xN = b

f (x2)

f (xN)

°3 °2 °1 0 1 2 3x

°0.2

0.0

0.2

0.4

0.6

0.8

1.0

f(x)

ObservationsIntegrandModel

Numerical integration is a really good idea in low dimensions33

Page 76: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

References

Briol, F.-X., Oates, C., Girolami, M., and Osborne, M. A. (2015). Frank–Wolfe Bayesian Quadrature:Probabilistic Integration with Theoretical Guarantees. In Advances in Neural Information ProcessingSystems.

Cutler, M. and How, J. P. (2015). Efficient Reinforcement Learning for Robots using Informative SimulatedPriors. In Proceedings of the International Conference on Robotics and Automation.

Damianou, A. and Lawrence, N. D. (2013). Deep Gaussian Processes. In Proceedings of the InternationalConference on Artificial Intelligence and Statistics.

Deisenroth, M. P., Fox, D., and Rasmussen, C. E. (2015). Gaussian Processes for Data-Efficient Learning inRobotics and Control. IEEE Transactions on Pattern Analysis and Machine Intelligence, 37(2):408–423.

Deisenroth, M. P. and Mohamed, S. (2012). Expectation Propagation in Gaussian Process DynamicalSystems. In Advances in Neural Information Processing Systems, pages 2618–2626.

34

Page 77: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

References (cont.)

Deisenroth, M. P. and Rasmussen, C. E. (2011). PILCO: A Model-Based and Data-Efficient Approach toPolicy Search. In Proceedings of the International Conference on Machine Learning.

Deisenroth, M. P., Turner, R., Huber, M., Hanebeck, U. D., and Rasmussen, C. E. (2012). Robust Filteringand Smoothing with Gaussian Processes. IEEE Transactions on Automatic Control, 57(7):1865–1871.

Diaconis, P. (1988). Bayesian Numerical Analysis. Statistical Decision Theory and Related Topics IV,1:163–175.

Eleftheriadis, S., Nicholson, T. F. W., Deisenroth, M. P., and Hensman, J. (2017). Identification of GaussianProcess State Space Models. In Advances in Neural Information Processing Systems.

Genz, A. (2004). Numerical Computation of Rectangular Bivariate and Trivariate Normal and t Probabilities.Statistics and Computing, 14:251–260.

35

Page 78: NumericalIntegration - Marc Deisenroth · Centralidea! Quadrature nodes x n are the roots of a family of orthogonal polynomials Nodes no longer equidistant! Exact if f is a polynomial

References (cont.)

Girard, A., Rasmussen, C. E., Quiñonero Candela, J., and Murray-Smith, R. (2003). Gaussian Process Priorswith Uncertain Inputs—Application to Multiple-Step Ahead Time Series Forecasting. In Advances inNeural Information Processing Systems.

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