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Gaussian process

From Wikipedia, the free encyclopedia
Statistical model

Inprobability theory andstatistics, aGaussian process is astochastic process (a collection of random variables indexed by time or space), such that every finite collection of those random variables has amultivariate normal distribution. The distribution of a Gaussian process is thejoint distribution of all those (infinitely many) random variables, and as such, it is a distribution over functions with a continuous domain, e.g. time or space.

The concept of Gaussian processes is named afterCarl Friedrich Gauss because it is based on the notion of the Gaussian distribution (normal distribution). Gaussian processes can be seen as an infinite-dimensional generalization of multivariate normal distributions.

Gaussian processes are useful instatistical modelling, benefiting from properties inherited from the normal distribution. For example, if arandom process is modelled as a Gaussian process, the distributions of various derived quantities can be obtained explicitly. Such quantities include the average value of the process over a range of times and the error in estimating the average using sample values at a small set of times. While exact models often scale poorly as the amount of data increases, multipleapproximation methods have been developed which often retain good accuracy while drastically reducing computation time.

Definition

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A time continuousstochastic process{Xt;tT}{\displaystyle \left\{X_{t};t\in T\right\}} is Gaussianif and only if for everyfinite set ofindicest1,,tk{\displaystyle t_{1},\ldots ,t_{k}} in the index setT{\displaystyle T}

Xt1,,tk=(Xt1,,Xtk){\displaystyle \mathbf {X} _{t_{1},\ldots ,t_{k}}=(X_{t_{1}},\ldots ,X_{t_{k}})}

is amultivariate Gaussianrandom variable.[1] As the sum of independent and Gaussian distributed random variables is again Gaussian distributed, that is the same as saying every linear combination of(Xt1,,Xtk){\displaystyle (X_{t_{1}},\ldots ,X_{t_{k}})} has a univariate Gaussian (or normal) distribution.

Usingcharacteristic functions of random variables withi{\displaystyle i} denoting theimaginary unit such thati2=1{\displaystyle i^{2}=-1}, the Gaussian property can be formulated as follows:{Xt;tT}{\displaystyle \left\{X_{t};t\in T\right\}} is Gaussian if and only if, for every finite set of indicest1,,tk{\displaystyle t_{1},\ldots ,t_{k}}, there are real-valuedσj{\displaystyle \sigma _{\ell j}},μ{\displaystyle \mu _{\ell }} withσjj>0{\displaystyle \sigma _{jj}>0} such that the following equality holds for alls1,s2,,skR{\displaystyle s_{1},s_{2},\ldots ,s_{k}\in \mathbb {R} },

E[exp(i=1ksXt)]=exp(12,jσjssj+iμs),{\displaystyle {\mathbb {E} }\left[\exp \left(i\sum _{\ell =1}^{k}s_{\ell }\,\mathbf {X} _{t_{\ell }}\right)\right]=\exp \left(-{\tfrac {1}{2}}\sum _{\ell ,j}\sigma _{\ell j}s_{\ell }s_{j}+i\sum _{\ell }\mu _{\ell }s_{\ell }\right),}

orE[eis(Xtμ)]=esσs/2{\displaystyle {\mathbb {E} }\left[{\mathrm {e} }^{i\,\mathbf {s} \,(\mathbf {X} _{t}-\mathbf {\mu } )}\right]={\mathrm {e} }^{-\mathbf {s} \,\sigma \,\mathbf {s} /2}}. The numbersσj{\displaystyle \sigma _{\ell j}} andμ{\displaystyle \mu _{\ell }} can be shown to be thecovariances andmeans of the variables in the process.[2]

Variance

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The variance of a Gaussian process is finite at any timet{\displaystyle t}, formally[3]: p. 515 var[X(t)]=E[|X(t)E[X(t)]|2]<for all tT.{\displaystyle \operatorname {var} [X(t)]={\mathbb {E} }\left[\left|X(t)-\operatorname {E} [X(t)]\right|^{2}\right]<\infty \quad {\text{for all }}t\in T.}

Stationarity

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For general stochastic processesstrict-sense stationarity implieswide-sense stationarity but not every wide-sense stationary stochastic process is strict-sense stationary. However, for a Gaussian stochastic process the two concepts are equivalent.[3]: p. 518 

A Gaussian stochastic process is strict-sense stationary if and only if it is wide-sense stationary.

Example

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There is an explicit representation for stationary Gaussian processes.[4] A simple example of this representation is

Xt=cos(at)ξ1+sin(at)ξ2{\displaystyle X_{t}=\cos(at)\,\xi _{1}+\sin(at)\,\xi _{2}}

whereξ1{\displaystyle \xi _{1}} andξ2{\displaystyle \xi _{2}} are independent random variables with thestandard normal distribution.

Covariance functions

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Main article:Covariance function
Further information:Variogram

A key fact of Gaussian processes is that they can be completely defined by their second-order statistics.[5] Thus, if a Gaussian process is assumed to have mean zero, defining thecovariance function completely defines the process' behaviour. Importantly the non-negative definiteness of this function enables its spectral decomposition using theKarhunen–Loève expansion. Basic aspects that can be defined through the covariance function are the process'stationarity,isotropy,smoothness andperiodicity.[6][7]

Stationarity refers to the process' behaviour regarding the separation of any two pointsx{\displaystyle x} andx{\displaystyle x'}. If the process is stationary, the covariance function depends only onxx{\displaystyle x-x'}. For example, theOrnstein–Uhlenbeck process is stationary.

If the process depends only on|xx|{\displaystyle |x-x'|}, the Euclidean distance (not the direction) betweenx{\displaystyle x} andx{\displaystyle x'}, then the process is considered isotropic. A process that is concurrently stationary and isotropic is considered to behomogeneous;[8] in practice these properties reflect the differences (or rather the lack of them) in the behaviour of the process given the location of the observer.

Ultimately Gaussian processes translate as taking priors on functions and the smoothness of these priors can be induced by the covariance function.[6] If we expect that for "near-by" input pointsx{\displaystyle x} andx{\displaystyle x'} their corresponding output pointsy{\displaystyle y} andy{\displaystyle y'} to be "near-by" also, then the assumption of continuity is present. If we wish to allow for significant displacement then we might choose a rougher covariance function. Extreme examples of the behaviour is the Ornstein–Uhlenbeck covariance function and the squared exponential where the former is never differentiable and the latter infinitely differentiable.

Periodicity refers to inducing periodic patterns within the behaviour of the process. Formally, this is achieved by mapping the inputx{\displaystyle x} to a two dimensional vectoru(x)=(cos(x),sin(x)){\displaystyle u(x)=\left(\cos(x),\sin(x)\right)}.

Usual covariance functions

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The effect of choosing different kernels on the prior function distribution of the Gaussian process. Left is a squared exponential kernel. Middle is Brownian. Right is quadratic.

There are a number of common covariance functions:[7]

Hered=|xx|{\displaystyle d=|x-x'|}, which is a result of the stationary process property, that is, for any stationary process the covariance function will only depend ond{\displaystyle d}. The parameter{\displaystyle \ell } is the characteristic length-scale of the process (practically, "how close" two pointsx{\displaystyle x} andx{\displaystyle x'} have to be to influence each other significantly),δ{\displaystyle \delta } is theKronecker delta andσ{\displaystyle \sigma } thestandard deviation of the noise fluctuations. Moreover,Kν{\displaystyle K_{\nu }} is themodified Bessel function of orderν{\displaystyle \nu } andΓ(ν){\displaystyle \Gamma (\nu )} is thegamma function evaluated atν{\displaystyle \nu }. Importantly, a complicated covariance function can be defined as a linear combination of other simpler covariance functions in order to incorporate different insights about the data-set at hand.

The inferential results are dependent on the values of the hyperparametersθ{\displaystyle \theta } (e.g.{\displaystyle \ell } andσ{\displaystyle \sigma }) defining the model's behaviour. A popular choice forθ{\displaystyle \theta } is to providemaximum a posteriori (MAP) estimates of it with some chosen prior. If the prior is very near uniform, this is the same as maximizing themarginal likelihood of the process; the marginalization being done over the observed process valuesy{\displaystyle y}.[7] This approach is also known asmaximum likelihood II,evidence maximization, orempirical Bayes.[9]

Continuity

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For a Gaussian process,continuity in probability is equivalent tomean-square continuity[10]: 145 : 91 "Gaussian processes are discontinuous at fixed points." [11]andcontinuity with probability one is equivalent tosample continuity.[12]The latter implies, but is not implied by, continuity in probability.Continuity in probability holds if and only if themean and autocovariance are continuous functions. In contrast, sample continuity was challenging even forstationary Gaussian processes (as probably noted first byAndrey Kolmogorov), and more challenging for more general processes.[13]: Sect. 2.8 [14]: 69, 81 [15]: 80 [16]As usual, by a sample continuous process one means a process that admits a sample continuousmodification.[17]: 292 [18]: 424 

Stationary case

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For a stationary Gaussian processX=(Xt)tR,{\displaystyle X=(X_{t})_{t\in \mathbb {R} },} some conditions on its spectrum are sufficient for sample continuity, but fail to be necessary. A necessary and sufficient condition, sometimes called Dudley–Fernique theorem, involves the functionσ{\displaystyle \sigma } defined byσ(h)=E[(X(t+h)X(t))2]{\displaystyle \sigma (h)={\sqrt {{\mathbb {E} }\left[\left(X(t+h)-X(t)\right)^{2}\right]}}}(the right-hand side does not depend ont{\displaystyle t} due to stationarity). Continuity ofX{\displaystyle X} in probability is equivalent to continuity ofσ{\displaystyle \sigma } at0.{\displaystyle 0.} When convergence ofσ(h){\displaystyle \sigma (h)} to0{\displaystyle 0} (ash0{\displaystyle h\to 0}) is too slow, sample continuity ofX{\displaystyle X} may fail. Convergence of the following integrals matters:I(σ)=01σ(h)hlog(1/h)dh=02σ(ex2)dx,{\displaystyle I(\sigma )=\int _{0}^{1}{\frac {\sigma (h)}{h{\sqrt {\log(1/h)}}}}\,dh=\int _{0}^{\infty }2\sigma (e^{-x^{2}})\,dx,}these two integrals being equal according tointegration by substitutionh=ex2,{\textstyle h=e^{-x^{2}},}x=log(1/h).{\textstyle x={\sqrt {\log(1/h)}}.} The first integrand need not be bounded ash0+,{\displaystyle h\to 0+,} thus the integral may converge (I(σ)<{\displaystyle I(\sigma )<\infty }) or diverge (I(σ)={\displaystyle I(\sigma )=\infty }). Taking for exampleσ(ex2)=1xa{\textstyle \sigma (e^{-x^{2}})={\tfrac {1}{x^{a}}}} for largex,{\displaystyle x,} that is,σ(h)=(log(1/h))a/2{\textstyle \sigma (h)=(\log(1/h))^{-a/2}} for smallh,{\displaystyle h,} one obtainsI(σ)<{\displaystyle I(\sigma )<\infty } whena>1,{\displaystyle a>1,} andI(σ)={\displaystyle I(\sigma )=\infty } when0<a1.{\displaystyle 0<a\leq 1.}In these two cases the functionσ{\displaystyle \sigma } is increasing on[0,),{\displaystyle [0,\infty ),} but generally it is not. Moreover, the condition

(*)   there existsε>0{\displaystyle \varepsilon >0} such thatσ{\displaystyle \sigma } is monotone on[0,ε]{\displaystyle [0,\varepsilon ]}

does not follow from continuity ofσ{\displaystyle \sigma } and the evident relationsσ(h)0{\displaystyle \sigma (h)\geq 0} (for allh{\displaystyle h}) andσ(0)=0.{\displaystyle \sigma (0)=0.}

Theorem 1Letσ{\displaystyle \sigma } be continuous and satisfy(*). Then the conditionI(σ)<{\displaystyle I(\sigma )<\infty } is necessary and sufficient for sample continuity ofX.{\displaystyle X.}

Some history.[18]: 424 Sufficiency was announced byXavier Fernique in 1964, but the first proof was published byRichard M. Dudley in 1967.[17]: Theorem 7.1 Necessity was proved by Michael B. Marcus andLawrence Shepp in 1970.[19]: 380 

There exist sample continuous processesX{\displaystyle X} such thatI(σ)=;{\displaystyle I(\sigma )=\infty ;} they violate condition(*). An example found by Marcus and Shepp[19]: 387  is a randomlacunary Fourier seriesXt=n=1cn(ξncosλnt+ηnsinλnt),{\displaystyle X_{t}=\sum _{n=1}^{\infty }c_{n}(\xi _{n}\cos \lambda _{n}t+\eta _{n}\sin \lambda _{n}t),}whereξ1,η1,ξ2,η2,{\displaystyle \xi _{1},\eta _{1},\xi _{2},\eta _{2},\dots } are independent random variables withstandard normal distribution; frequencies0<λ1<λ2<{\displaystyle 0<\lambda _{1}<\lambda _{2}<\dots } are a fast growing sequence; and coefficientscn>0{\displaystyle c_{n}>0} satisfyncn<.{\textstyle \sum _{n}c_{n}<\infty .} The latter relation implies

Encn(|ξn|+|ηn|)=ncnE[|ξn|+|ηn|]=constncn<,{\textstyle {\mathbb {E} }\sum _{n}c_{n}(|\xi _{n}|+|\eta _{n}|)=\sum _{n}c_{n}{\mathbb {E} }[|\xi _{n}|+|\eta _{n}|]={\text{const}}\cdot \sum _{n}c_{n}<\infty ,}

whencencn(|ξn|+|ηn|)<{\textstyle \sum _{n}c_{n}(|\xi _{n}|+|\eta _{n}|)<\infty } almost surely, which ensures uniform convergence of the Fourier series almost surely, and sample continuity ofX.{\displaystyle X.}

Autocorrelation of a random lacunary Fourier series

Its autocovariation functionE[XtXt+h]=n=1cn2cosλnh{\displaystyle {\mathbb {E} }[X_{t}X_{t+h}]=\sum _{n=1}^{\infty }c_{n}^{2}\cos \lambda _{n}h}is nowhere monotone (see the picture), as well as the corresponding functionσ,{\displaystyle \sigma ,}σ(h)=2E[XtXt]2E[XtXt+h]=2n=1cn2sin2λnh2.{\displaystyle \sigma (h)={\sqrt {2{\mathbb {E} }[X_{t}X_{t}]-2{\mathbb {E} }[X_{t}X_{t+h}]}}=2{\sqrt {\sum _{n=1}^{\infty }c_{n}^{2}\sin ^{2}{\frac {\lambda _{n}h}{2}}}}.}

Brownian motion as the integral of Gaussian processes

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AWiener process (also known as Brownian motion) is the integral of awhite noise generalized Gaussian process. It is notstationary, but it hasstationary increments.

TheOrnstein–Uhlenbeck process is astationary Gaussian process.

TheBrownian bridge is (like the Ornstein–Uhlenbeck process) an example of a Gaussian process whose increments are notindependent.

Thefractional Brownian motion is a Gaussian process whose covariance function is a generalisation of that of the Wiener process.

RKHS structure and Gaussian process

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Letf{\displaystyle f} be a mean-zero Gaussian process{Xt;tT}{\displaystyle \left\{X_{t};t\in T\right\}} with a non-negative definite covariance functionK{\displaystyle K} and letR{\displaystyle R} be a symmetric and positive semidefinite function. Then, there exists a Gaussian processX{\displaystyle X} which has the covarianceR{\displaystyle R}. Moreover, thereproducing kernel Hilbert space (RKHS) associated toR{\displaystyle R} coincides with theCameron–Martin theorem associated spaceR(H){\displaystyle R(H)} ofX{\displaystyle X}, and all the spacesR(H){\displaystyle R(H)},HX{\displaystyle H_{X}}, andH(K){\displaystyle {\mathcal {H}}(K)} are isometric.[20] From now on, letH(R){\displaystyle {\mathcal {H}}(R)} be areproducing kernel Hilbert space with positive definite kernelR{\displaystyle R}.

Driscoll's zero-one law is a result characterizing the sample functions generated by a Gaussian process:limntr[KnRn1]<,{\displaystyle \lim _{n\to \infty }\operatorname {tr} [K_{n}R_{n}^{-1}]<\infty ,}whereKn{\displaystyle K_{n}} andRn{\displaystyle R_{n}} are the covariance matrices of all possible pairs ofn{\displaystyle n} points, impliesPr[fH(R)]=1.{\displaystyle \Pr[f\in {\mathcal {H}}(R)]=1.}

Moreover,limntr[KnRn1]={\displaystyle \lim _{n\to \infty }\operatorname {tr} [K_{n}R_{n}^{-1}]=\infty }implies[21]Pr[fH(R)]=0.{\displaystyle \Pr[f\in {\mathcal {H}}(R)]=0.}

This has significant implications whenK=R{\displaystyle K=R}, aslimntr[RnRn1]=limntr[I]=limnn=.{\displaystyle \lim _{n\to \infty }\operatorname {tr} [R_{n}R_{n}^{-1}]=\lim _{n\to \infty }\operatorname {tr} [I]=\lim _{n\to \infty }n=\infty .}

As such, almost all sample paths of a mean-zero Gaussian process with positive definite kernelK{\displaystyle K} will lie outside of the Hilbert spaceH(K){\displaystyle {\mathcal {H}}(K)}.

Linearly constrained Gaussian processes

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For many applications of interest some pre-existing knowledge about the system at hand is already given. Consider e.g. the case where the output of the Gaussian process corresponds to a magnetic field; here, the real magnetic field is bound by Maxwell's equations and a way to incorporate this constraint into the Gaussian process formalism would be desirable as this would likely improve the accuracy of the algorithm.

A method on how to incorporate linear constraints into Gaussian processes already exists:[22]

Consider the (vector valued) output functionf(x){\displaystyle f(x)} which is known to obey the linear constraint (i.e.FX{\displaystyle {\mathcal {F}}_{X}} is a linear operator)FX(f(x))=0.{\displaystyle {\mathcal {F}}_{X}(f(x))=0.}Then the constraintFX{\displaystyle {\mathcal {F}}_{X}} can be fulfilled by choosingf(x)=GX(g(x)){\displaystyle f(x)={\mathcal {G}}_{X}(g(x))}, whereg(x)GP(μg,Kg){\displaystyle g(x)\sim {\mathcal {GP}}(\mu _{g},K_{g})} is modelled as a Gaussian process, and findingGX{\displaystyle {\mathcal {G}}_{X}} such thatFX(GX(g))=0g.{\displaystyle {\mathcal {F}}_{X}({\mathcal {G}}_{X}(g))=0\qquad \forall g.}GivenGX{\displaystyle {\mathcal {G}}_{X}} and using the fact that Gaussian processes are closed under linear transformations, the Gaussian process forf{\displaystyle f} obeying constraintFX{\displaystyle {\mathcal {F}}_{X}} becomesf(x)=GXgGP(GXμg,GXKgGXT).{\displaystyle f(x)={\mathcal {G}}_{X}g\sim {\mathcal {GP}}({\mathcal {G}}_{X}\mu _{g},{\mathcal {G}}_{X}K_{g}{\mathcal {G}}_{X'}^{\mathsf {T}}).}Hence, linear constraints can be encoded into the mean and covariance function of a Gaussian process.

Applications

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An example of Gaussian Process Regression (prediction) compared with other regression models.[23]

A Gaussian process can be used as aprior probability distribution overfunctions inBayesian inference.[7][24] Given any set ofN points in the desired domain of the functions, take amultivariate Gaussian whose covariancematrix parameter is theGram matrix of thoseN points with some desiredkernel, andsample from that Gaussian. For solution of the multi-output prediction problem, Gaussian process regression for vector-valued function was developed. In this method, a 'big' covariance is constructed, which describes the correlations between all the input and output variables taken inN points in the desired domain.[25] This approach was elaborated in detail for the matrix-valued Gaussian processes and generalised to processes with 'heavier tails' likeStudent-t processes.[26]

Inference of continuous values with a Gaussian process prior is known as Gaussian process regression, orkriging; extending Gaussian process regression tomultiple target variables is known ascokriging.[27] Gaussian processes are thus useful as a powerful non-linear multivariateinterpolation tool. Kriging is also used to extend Gaussian process in the case of mixed integer inputs.[28]

Gaussian processes are also commonly used to tackle numerical analysis problems such as numerical integration, solving differential equations, or optimisation in the field ofprobabilistic numerics.

Gaussian processes can also be used in the context of mixture of experts models, for example.[29][30] The underlying rationale of such a learning framework consists in the assumption that a given mapping cannot be well captured by a single Gaussian process model. Instead, the observation space is divided into subsets, each of which is characterized by a different mapping function; each of these is learned via a different Gaussian process component in the postulated mixture.

Gaussian process prediction, or Kriging

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Further information:Kriging
Gaussian Process Regression (prediction) with a squared exponential kernel. Left plot are draws from the prior function distribution. Middle are draws from the posterior. Right is mean prediction with one standard deviation shaded.

When concerned with a general Gaussian process regression problem (Kriging), it is assumed that for a Gaussian processf{\displaystyle f} observed at coordinatesx{\displaystyle x}, the vector of valuesf(x){\displaystyle f(x)} is just one sample from a multivariate Gaussian distribution of dimension equal to number of observed coordinatesn{\displaystyle n}. Therefore, under the assumption of a zero-mean distribution,f(x)N(0,K(θ,x,x)){\displaystyle f(x')\sim N(0,K(\theta ,x,x'))}, whereK(θ,x,x){\displaystyle K(\theta ,x,x')} is the covariance matrix between all possible pairs(x,x){\displaystyle (x,x')} for a given set of hyperparametersθ.[7]As such the log marginal likelihood is:

logp(f(x)θ,x)=12(f(x)TK(θ,x,x)1f(x)+logdet(K(θ,x,x))+nlog2π){\displaystyle \log p(f(x')\mid \theta ,x)=-{\frac {1}{2}}\left(f(x)^{\mathsf {T}}K(\theta ,x,x')^{-1}f(x')+\log \det(K(\theta ,x,x'))+n\log 2\pi \right)}

and maximizing this marginal likelihood towardsθ provides the complete specification of the Gaussian processf. One can briefly note at this point that the first term corresponds to a penalty term for a model's failure to fit observed values and the second term to a penalty term that increases proportionally to a model's complexity. Having specifiedθ, making predictions about unobserved valuesf(x){\displaystyle f(x^{*})} at coordinatesx* is then only a matter of drawing samples from the predictive distributionp(yx,f(x),x)=N(yA,B){\displaystyle p(y^{*}\mid x^{*},f(x),x)=N(y^{*}\mid A,B)} where the posterior mean estimateA is defined asA=K(θ,x,x)K(θ,x,x)1f(x){\displaystyle A=K(\theta ,x^{*},x)K(\theta ,x,x')^{-1}f(x)}and the posterior variance estimateB is defined as:B=K(θ,x,x)K(θ,x,x)K(θ,x,x)1K(θ,x,x)T{\displaystyle B=K(\theta ,x^{*},x^{*})-K(\theta ,x^{*},x)K(\theta ,x,x')^{-1}K(\theta ,x^{*},x)^{\mathsf {T}}}whereK(θ,x,x){\displaystyle K(\theta ,x^{*},x)} is the covariance between the new coordinate of estimationx* and all other observed coordinatesx for a given hyperparameter vectorθ,K(θ,x,x){\displaystyle K(\theta ,x,x')} andf(x){\displaystyle f(x)} are defined as before andK(θ,x,x){\displaystyle K(\theta ,x^{*},x^{*})} is the variance at pointx* as dictated byθ. It is important to note that practically the posterior mean estimate off(x){\displaystyle f(x^{*})} (the "point estimate") is just a linear combination of the observationsf(x){\displaystyle f(x)}; in a similar manner the variance off(x){\displaystyle f(x^{*})} is actually independent of the observationsf(x){\displaystyle f(x)}. A known bottleneck in Gaussian process prediction is that the computational complexity of inference and likelihood evaluation is cubic in the number of points |x|, and as such can become unfeasible for larger data sets.[6][31] Works on sparse Gaussian processes, that usually are based on the idea of building arepresentative set for the given processf, try to circumvent this issue.[32][33][34] Thekriging method can be used in the latent level of anonlinear mixed-effects model for a spatial functional prediction: this technique is called the latent kriging.[35] Other classes of scalable Gaussian process for analyzing massive datasets have emerged from theVecchia approximation and Nearest Neighbor Gaussian Processes (NNGP).[36][31]

Often, the covariance has the formK(θ,x,x)=1σ2K~(θ,x,x){\textstyle K(\theta ,x,x')={\frac {1}{\sigma ^{2}}}{\tilde {K}}(\theta ,x,x')}, whereσ2{\displaystyle \sigma ^{2}} is a scaling parameter. Examples are the Matérn class covariance functions. If this scaling parameterσ2{\displaystyle \sigma ^{2}} is either known or unknown (i.e. must be marginalized), then the posterior probability,p(θD){\displaystyle p(\theta \mid D)}, i.e. the probability for the hyperparametersθ{\displaystyle \theta } given a set of data pairsD{\displaystyle D} of observations ofx{\displaystyle x} andf(x){\displaystyle f(x)}, admits an analytical expression.[37]

Bayesian neural networks as Gaussian processes

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Further information:Neural network Gaussian process

Bayesian neural networks are a particular type ofBayesian network that results from treatingdeep learning andartificial neural network models probabilistically, and assigning aprior distribution to theirparameters. Computation in artificial neural networks is usually organized into sequential layers ofartificial neurons. The number of neurons in a layer is called the layer width. As layer width grows large, many Bayesian neural networks reduce to a Gaussian process with aclosed form compositional kernel. This Gaussian process is called the Neural Network Gaussian Process (NNGP) (not to be confused with the Nearest Neighbor Gaussian Process[36]).[7][38][39] It allows predictions from Bayesian neural networks to be more efficiently evaluated, and provides an analytic tool to understanddeep learning models.

Physical applications

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Gaussian processes have found increasing applications in many domains of the natural sciences due to their statistical modelling properties.Molecular property prediction has employed these process models in small molecular datasets due to their inference capabilities and computational costs.[40][41] They are also being increasingly used as surrogate models for force field optimization.[42]

Astrophysics

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Gaussian processes have also found extensive use inastrophysical and astronomical settings. Gaussian processes can model correlated noise, a specific type of non-Gaussian noise dependent on some underlying unknown distribution correlated with observed values. This type of noise is often present in astronomical signals as instrumental systematics or as intrinsic to the observed object as a result of physical processes. Correlated noise is often a consideration for exoplanettransit events, and Gaussian processes have been used to de-trend these transitlight curves (at timescales greater than that of the transit) to allow detection of weaker, more short-lived signals.[43] These processes have also been used to disentangle planetary signals from stellar activity indicators insideradial velocity data, another method of exoplanet detection. This is done by training the Gaussian process model to optimize the hyperparameters of the kernel until it accurately recreates the noise components of the radial velocity data, which ultimately allows it to determine which signals are best defined as strictly periodic (which the planet should be) and which signals are best represented by the evolving, quasi-periodic kernel (which the star should be).[44] Correlated noise produced by active regions on a star'sphotosphere (as a result ofmagnetic field interactions) can be of similar timescales as transit events, and Gaussian process models which handle sparsely sampled data are used to confirm exoplanet detections especially around young stars.[45][46]

The variability of rotating, magnetically active Sun-like stars can be modeled fairly accurately using Gaussian processes.[45] This quasi-periodic variability is often represented by a covariance function given as[47][48]KQP(x,x)=α2exp(d22λ12Γsin2[πdλ2]){\displaystyle {\text{K}}_{\text{QP}}(x,x')=\alpha ^{2}\exp \left(-{\frac {d^{2}}{2\lambda _{1}^{2}}}-\Gamma \sin ^{2}\left[{\frac {\pi d}{\lambda _{2}}}\right]\right)}where parameterα{\displaystyle \alpha } is amplitude,λ1{\displaystyle \lambda _{1}} is period, andλ2{\displaystyle \lambda _{2}} is decoherence timescale. This covariance function allows for the limited but feasible determination of stellar periods as a result of parameterλ1{\displaystyle \lambda _{1}} but lacks physical information about where these active regions are on the star observed.[45][49]

Gaussian processes are also used in the analysis of individual and populations ofactive galactic nuclei (AGNs) due to their stochastic variability in the optical and radio parts of theelectromagnetic spectrum.[45] Damped random walk kernels in particular have previously been used to identify the extent ofbroad-line emission regions aroundsupermassive black holes usingreverberation mapping, and these kernels can also be used to characterize light curve variations for large AGN populations.[50][51]

Other astrophysical applications of Gaussian processes include models forpulsar timing and dispersion measure,gravitational wave structure and detector uncertainty (notably in theLIGO-Virgo-KAGRA collaboration), transient classification, and quasi-periodic oscillations.[45][52][53][54][55]

Computational issues

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See also:Gaussian process approximations

In practical applications, Gaussian process models are often evaluated on a grid leading to multivariate normal distributions. Using these models for prediction or parameter estimation using maximum likelihood requires evaluating a multivariate Gaussian density, which involves calculating the determinant and the inverse of the covariance matrix. Both of these operations have cubic computational complexity which means that even for grids of modest sizes, both operations can have a prohibitive computational cost. This drawback led to the development of multipleapproximation methods.[31]

See also

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References

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  1. ^MacKay, David J.C. (2003).Information Theory, Inference, and Learning Algorithms(PDF).Cambridge University Press. p. 540.ISBN 9780521642989.The probability distribution of a functiony(x){\displaystyle y(\mathbf {x} )} is a Gaussian processes if for any finite selection of pointsx(1),x(2),,x(N){\displaystyle \mathbf {x} ^{(1)},\mathbf {x} ^{(2)},\ldots ,\mathbf {x} ^{(N)}}, the densityP(y(x(1)),y(x(2)),,y(x(N))){\displaystyle P(y(\mathbf {x} ^{(1)}),y(\mathbf {x} ^{(2)}),\ldots ,y(\mathbf {x} ^{(N)}))} is a Gaussian
  2. ^Dudley, R.M. (1989).Real Analysis and Probability. Wadsworth and Brooks/Cole.ISBN 0-534-10050-3.
  3. ^abAmos Lapidoth (8 February 2017).A Foundation in Digital Communication. Cambridge University Press.ISBN 978-1-107-17732-1.
  4. ^Kac, M.; Siegert, A.J.F (1947)."An Explicit Representation of a Stationary Gaussian Process".The Annals of Mathematical Statistics.18 (3):438–442.doi:10.1214/aoms/1177730391.
  5. ^Bishop, C.M. (2006).Pattern Recognition and Machine Learning.Springer.ISBN 978-0-387-31073-2.
  6. ^abcBarber, David (2012).Bayesian Reasoning and Machine Learning.Cambridge University Press.ISBN 978-0-521-51814-7.
  7. ^abcdefRasmussen, C.E.; Williams, C.K.I (2006).Gaussian Processes for Machine Learning.MIT Press.ISBN 978-0-262-18253-9.
  8. ^Grimmett, Geoffrey; David Stirzaker (2001).Probability and Random Processes.Oxford University Press.ISBN 978-0198572220.
  9. ^Seeger, Matthias (2004). "Gaussian Processes for Machine Learning".International Journal of Neural Systems.14 (2):69–104.CiteSeerX 10.1.1.71.1079.doi:10.1142/s0129065704001899.PMID 15112367.S2CID 52807317.
  10. ^Dudley, R. M. (1975)."The Gaussian process and how to approach it"(PDF).Proceedings of the International Congress of Mathematicians. Vol. 2. pp. 143–146.
  11. ^Banerjee, Sudipto; Gelfand, Alan E. (2003)."On smoothness properties of spatial processes".Journal of Multivariate Analysis.84 (1):85–100.Bibcode:2003JMA....84...85B.doi:10.1016/S0047-259X(02)00016-7.
  12. ^Dudley, R. M. (2010)."Sample Functions of the Gaussian Process".Selected Works of R.M. Dudley. Vol. 1. pp. 66–103.doi:10.1007/978-1-4419-5821-1_13.ISBN 978-1-4419-5820-4.{{cite book}}:|journal= ignored (help)
  13. ^Talagrand, Michel (2014).Upper and lower bounds for stochastic processes: modern methods and classical problems. Ergebnisse der Mathematik und ihrer Grenzgebiete. 3. Folge / A Series of Modern Surveys in Mathematics. Springer, Heidelberg.ISBN 978-3-642-54074-5.
  14. ^Ledoux, Michel (1996), "Isoperimetry and Gaussian analysis", in Dobrushin, Roland; Groeneboom, Piet; Ledoux, Michel (eds.),Lectures on Probability Theory and Statistics: Ecole d'Eté de Probabilités de Saint-Flour XXIV–1994, Lecture Notes in Mathematics, vol. 1648, Berlin: Springer, pp. 165–294,doi:10.1007/BFb0095676,ISBN 978-3-540-62055-6,MR 1600888
  15. ^Adler, Robert J. (1990).An Introduction to Continuity, Extrema, and Related Topics for General Gaussian Processes. Vol. 12. Hayward, California: Institute of Mathematical Statistics.ISBN 0-940600-17-X.JSTOR 4355563.MR 1088478.{{cite book}}:|journal= ignored (help)
  16. ^Berman, Simeon M. (1992). "Review of: Adler 1990 'An introduction to continuity...'".Mathematical Reviews.MR 1088478.
  17. ^abDudley, R. M. (1967)."The sizes of compact subsets of Hilbert space and continuity of Gaussian processes".Journal of Functional Analysis.1 (3):290–330.doi:10.1016/0022-1236(67)90017-1.
  18. ^abMarcus, M.B.;Shepp, Lawrence A. (1972)."Sample behavior of Gaussian processes".Proceedings of the sixth Berkeley symposium on mathematical statistics and probability, vol. II: probability theory. Vol. 6. Univ. California, Berkeley. pp. 423–441.
  19. ^abMarcus, Michael B.;Shepp, Lawrence A. (1970)."Continuity of Gaussian processes".Transactions of the American Mathematical Society.151 (2):377–391.doi:10.1090/s0002-9947-1970-0264749-1.JSTOR 1995502.
  20. ^Azmoodeh, Ehsan; Sottinen, Tommi; Viitasaari, Lauri; Yazigi, Adil (2014). "Necessary and sufficient conditions for Hölder continuity of Gaussian processes".Statistics & Probability Letters.94:230–235.arXiv:1403.2215.doi:10.1016/j.spl.2014.07.030.
  21. ^Driscoll, Michael F. (1973)."The reproducing kernel Hilbert space structure of the sample paths of a Gaussian process".Zeitschrift für Wahrscheinlichkeitstheorie und Verwandte Gebiete.26 (4):309–316.doi:10.1007/BF00534894.ISSN 0044-3719.S2CID 123348980.
  22. ^Jidling, Carl; Wahlström, Niklas; Wills, Adrian; Schön, Thomas B. (2017-09-19). "Linearly constrained Gaussian processes".arXiv:1703.00787 [stat.ML].
  23. ^The documentation forscikit-learn also has similarexamples.
  24. ^Liu, W.; Principe, J.C.; Haykin, S. (2010).Kernel Adaptive Filtering: A Comprehensive Introduction.John Wiley.ISBN 978-0-470-44753-6. Archived fromthe original on 2016-03-04. Retrieved2010-03-26.
  25. ^Álvarez, Mauricio A.; Rosasco, Lorenzo; Lawrence, Neil D. (2012)."Kernels for vector-valued functions: A review"(PDF).Foundations and Trends in Machine Learning.4 (3):195–266.doi:10.1561/2200000036.S2CID 456491.
  26. ^Chen, Zexun; Wang, Bo; Gorban, Alexander N. (2019)."Multivariate Gaussian and Student-t process regression for multi-output prediction".Neural Computing and Applications.32 (8):3005–3028.arXiv:1703.04455.doi:10.1007/s00521-019-04687-8.
  27. ^Stein, M.L. (1999).Interpolation of Spatial Data: Some Theory for Kriging.Springer.
  28. ^Saves, Paul; Diouane, Youssef; Bartoli, Nathalie; Lefebvre, Thierry; Morlier, Joseph (2023). "A mixed-categorical correlation kernel for Gaussian process".Neurocomputing.550 126472.arXiv:2211.08262.doi:10.1016/j.neucom.2023.126472.
  29. ^Platanios, Emmanouil A.; Chatzis, Sotirios P. (2014). "Gaussian Process-Mixture Conditional Heteroscedasticity".IEEE Transactions on Pattern Analysis and Machine Intelligence.36 (5):888–900.Bibcode:2014ITPAM..36..888P.doi:10.1109/TPAMI.2013.183.PMID 26353224.S2CID 10424638.
  30. ^Chatzis, Sotirios P. (2013). "A latent variable Gaussian process model with Pitman–Yor process priors for multiclass classification".Neurocomputing.120:482–489.doi:10.1016/j.neucom.2013.04.029.
  31. ^abcBanerjee, Sudipto (2017)."High-dimensional Bayesian Geostatistics".Bayesian Analysis.12 (2):583–614.doi:10.1214/17-BA1056R.PMC 5790125.PMID 29391920.
  32. ^Smola, A.J.; Schoellkopf, B. (2000). "Sparse greedy matrix approximation for machine learning".Proceedings of the Seventeenth International Conference on Machine Learning:911–918.CiteSeerX 10.1.1.43.3153.
  33. ^Csato, L.; Opper, M. (2002). "Sparse on-line Gaussian processes".Neural Computation.14 (3):641–668.Bibcode:2002NeCom..14..641C.CiteSeerX 10.1.1.335.9713.doi:10.1162/089976602317250933.PMID 11860686.S2CID 11375333.
  34. ^Banerjee, Sudipto; Gelfand, Alan E.; Finley, Andrew O.; Sang, Huiyan (2008)."Gaussian Predictive Process Models for large spatial datasets".Journal of the Royal Statistical Society, Series B (Statistical Methodology).70 (4):825–848.doi:10.1111/j.1467-9868.2008.00663.x.PMC 2741335.PMID 19750209.
  35. ^Lee, Se Yoon; Mallick, Bani (2021)."Bayesian Hierarchical Modeling: Application Towards Production Results in the Eagle Ford Shale of South Texas".Sankhya B.84:1–43.doi:10.1007/s13571-020-00245-8.
  36. ^abDatta, Abhirup; Banerjee, Sudipto; Finley, Andrew; Gelfand, Alan (2016)."Hierarchical Nearest-Neighbor Gaussian Process Models for Large Spatial Data".Journal of the American Statistical Association.111 (514):800–812.doi:10.1080/01621459.2015.1044091.PMC 5927603.PMID 29720777.
  37. ^Ranftl, Sascha; Melito, Gian Marco; Badeli, Vahid; Reinbacher-Köstinger, Alice; Ellermann, Katrin; von der Linden, Wolfgang (2019-12-31)."Bayesian Uncertainty Quantification with Multi-Fidelity Data and Gaussian Processes for Impedance Cardiography of Aortic Dissection".Entropy.22 (1): 58.Bibcode:2019Entrp..22...58R.doi:10.3390/e22010058.ISSN 1099-4300.PMC 7516489.PMID 33285833.
  38. ^Novak, Roman; Xiao, Lechao; Hron, Jiri; Lee, Jaehoon; Alemi, Alexander A.; Sohl-Dickstein, Jascha; Schoenholz, Samuel S. (2020). "Neural Tangents: Fast and Easy Infinite Neural Networks in Python".International Conference on Learning Representations.arXiv:1912.02803.
  39. ^Neal, Radford M. (2012).Bayesian Learning for Neural Networks. Springer Science and Business Media.
  40. ^Moss, Henry B.; Griffiths, Ryan-Rhys (2020),Gaussian Process Molecule Property Prediction with FlowMO,arXiv:2010.01118
  41. ^Griffiths, Ryan-Rhys (2022).Applications of Gaussian Processes at Extreme Lengthscales: From Molecules to Black Holes (PhD thesis). University of Cambridge.arXiv:2303.14291.doi:10.17863/CAM.93643.
  42. ^Shanks, B. L.; Sullivan, H. W.; Shazed, A. R.; Hoepfner, M. P. (2024)."Accelerated Bayesian Inference for Molecular Simulations using Local Gaussian Process Surrogate Models".Journal of Chemical Theory and Computation.20 (9):3798–3808.arXiv:2310.19108.Bibcode:2024JCTC...20.3798S.doi:10.1021/acs.jctc.3c01358.PMID 38551198.
  43. ^Morris, Brett M; Bobra, Monica G; Agol, Eric; Lee, Yu Jin; Hawley, Suzanne L (2020-04-21)."The stellar variability noise floor for transiting exoplanet photometry with PLATO".Monthly Notices of the Royal Astronomical Society.493 (4):5489–5498.arXiv:2002.08072.doi:10.1093/mnras/staa618.ISSN 0035-8711.
  44. ^Rajpaul, V.; Aigrain, S.; Osborne, M. A.; Reece, S.; Roberts, S. (2015-09-21)."A Gaussian process framework for modelling stellar activity signals in radial velocity data".Monthly Notices of the Royal Astronomical Society.452 (3):2269–2291.arXiv:1506.07304.doi:10.1093/mnras/stv1428.ISSN 0035-8711.
  45. ^abcdeAigrain, Suzanne; Foreman-Mackey, Daniel (2023)."Gaussian Process Regression for Astronomical Time Series".Annual Review of Astronomy and Astrophysics.61:350–359.arXiv:2209.08940.Bibcode:2023ARA&A..61..329A.doi:10.1146/annurev-astro-052920-103508.
  46. ^Barragán, O; Aigrain, S; Kubyshkina, D; Gandolfi, D; Livingston, J; Fridlund, M C V; Fossati, L; Korth, J; Parviainen, H; Malavolta, L; Palle, E; Deeg, H J; Nowak, G; Rajpaul, V M; Zicher, N (2019-11-21)."Radial velocity confirmation of K2-100b: a young, highly irradiated, and low-density transiting hot Neptune".Monthly Notices of the Royal Astronomical Society.490 (1):698–708.arXiv:1909.05252.doi:10.1093/mnras/stz2569.ISSN 0035-8711.
  47. ^Haywood, R. D.; Collier Cameron, A.; Queloz, D.; Barros, S. C. C.; Deleuil, M.; Fares, R.; Gillon, M.; Lanza, A. F.; Lovis, C.; Moutou, C.; Pepe, F.; Pollacco, D.; Santerne, A.; Ségransan, D.; Unruh, Y. C. (2014-09-21)."Planets and stellar activity: hide and seek in the CoRoT-7 system★".Monthly Notices of the Royal Astronomical Society.443 (3):2517–2531.arXiv:1407.1044.doi:10.1093/mnras/stu1320.ISSN 1365-2966.
  48. ^Aigrain, S.; Pont, F.; Zucker, S. (2012-02-01)."A simple method to estimate radial velocity variations due to stellar activity using photometry".Monthly Notices of the Royal Astronomical Society.419 (4):3147–3158.arXiv:1110.1034.Bibcode:2012MNRAS.419.3147A.doi:10.1111/j.1365-2966.2011.19960.x.ISSN 0035-8711.
  49. ^Nicholson, B A; Aigrain, S (2022-08-18)."Quasi-periodic Gaussian processes for stellar activity: From physical to kernel parameters".Monthly Notices of the Royal Astronomical Society.515 (4):5251–5266.doi:10.1093/mnras/stac2097.ISSN 0035-8711.
  50. ^Kozłowski, Szymon; Kochanek, Christopher S.; Udalski, A.; Wyrzykowski, ł.; Soszyński, I.; Szymański, M. K.; Kubiak, M.; Pietrzyński, G.; Szewczyk, O.; Ulaczyk, K.; Poleski, R.; The OGLE Collaboration (2010-01-10)."Quantifying Quasar Variability as Part of a General Approach to Classifying Continuously Varying Sources".The Astrophysical Journal.708 (2):927–945.arXiv:0909.1326.Bibcode:2010ApJ...708..927K.doi:10.1088/0004-637X/708/2/927.ISSN 0004-637X.
  51. ^MacLeod, C. L.; Ivezić, ž.; Kochanek, C. S.; Kozłowski, S.; Kelly, B.; Bullock, E.; Kimball, A.; Sesar, B.; Westman, D.; Brooks, K.; Gibson, R.; Becker, A. C.; de Vries, W. H. (2010-10-01)."Modeling the Time Variability of SDSS Stripe 82 Quasars as a Damped Random Walk".The Astrophysical Journal.721 (2):1014–1033.arXiv:1004.0276.Bibcode:2010ApJ...721.1014M.doi:10.1088/0004-637X/721/2/1014.ISSN 0004-637X.
  52. ^Abbott, R.; Abbott, T. D.; Abraham, S.; Acernese, F.; Ackley, K.; Adams, C.; Adhikari, R. X.; Adya, V. B.; Affeldt, C.; Agathos, M.; Agatsuma, K.; Aggarwal, N.; Aguiar, O. D.; Aich, A.; Aiello, L. (2020-06-01)."GW190814: Gravitational Waves from the Coalescence of a 23 Solar Mass Black Hole with a 2.6 Solar Mass Compact Object".The Astrophysical Journal Letters.896 (2): L44.arXiv:2006.12611.Bibcode:2020ApJ...896L..44A.doi:10.3847/2041-8213/ab960f.ISSN 2041-8205.
  53. ^Lochner, Michelle; McEwen, Jason D.; Peiris, Hiranya V.; Lahav, Ofer; Winter, Max K. (2016-08-01)."Photometric Supernova Classification with Machine Learning".The Astrophysical Journal Supplement Series.225 (2): 31.arXiv:1603.00882.Bibcode:2016ApJS..225...31L.doi:10.3847/0067-0049/225/2/31.ISSN 0067-0049.
  54. ^Yang, Shenbang; Yan, Dahai; Zhang, Pengfei; Dai, Benzhong; Zhang, Li (2021-02-01)."Gaussian Process Modeling Fermi-LAT γ-Ray Blazar Variability: A Sample of Blazars with γ-Ray Quasi-periodicities".The Astrophysical Journal.907 (2): 105.arXiv:2011.10186.Bibcode:2021ApJ...907..105Y.doi:10.3847/1538-4357/abcbff.ISSN 0004-637X.
  55. ^van Haasteren, Rutger; Vallisneri, Michele (2014-11-11)."New advances in the Gaussian-process approach to pulsar-timing data analysis".Physical Review D.90 (10) 104012.arXiv:1407.1838.Bibcode:2014PhRvD..90j4012V.doi:10.1103/PhysRevD.90.104012.ISSN 1550-7998.

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