Volume I, Chapter 3 — Part II. Definition, characteristic function derivation, affine transformations, marginalization, conditioning via Schur complements, the information form, maximum entropy, and the role of Gaussians in Bayesian ML, Gaussian processes, and diffusion models.
The multivariate Gaussian (normal) distribution is the central continuous distribution in machine learning. When we assume Gaussian noise, Gaussian priors, or Gaussian approximate posteriors, inference becomes analytic — integrals that would be intractable for general distributions reduce to matrix algebra.
Why is the Gaussian so special? Three reasons:
Closure under linear operations. If x is Gaussian, then any linear transform Ax+b is Gaussian. Marginals and conditionals of joint Gaussians are Gaussian.
Maximum entropy. Among all distributions with given mean and covariance, the Gaussian is the least informative — it makes no assumptions beyond first and second moments.
Central limit theorem. Sums of many independent random variables converge to Gaussian, explaining its ubiquity in natural data and noise.
Every chapter in probabilistic ML — from Bayesian Linear Regression to variational autoencoders to diffusion models — relies on the algebraic properties developed here.
Series context. This is Part II of Chapter 3 in Volume I. It follows Bayes' Theorem and precedes Entropy and KL Divergence, where the closed-form KL between Gaussians is derived.
Bivariate Gaussian Distribution
Σ = [2.25, 0.90 ; 0.90, 1.00]
det(Σ) = 1.440
σ_x1.50
σ_y1.00
ρ0.60
μ_x0.00
μ_y0.00
Observe: Correlation ρ tilts the ellipse. When |ρ| → 1, the ellipse collapses toward a line (singular Σ). The 1σ ellipse contains ≈39% of probability mass, 2σ ≈ 86%, 3σ ≈ 99%.
Definition and Basic Properties
Definition 1 (Multivariate Gaussian). A random vector x∈Rd follows a multivariate Gaussian distribution, written x∼N(μ,Σ), if its probability density function is:
p(x)=(2π)d/2∣Σ∣1/21exp(−21(x−μ)TΣ−1(x−μ)),(1)
where μ∈Rd is the mean vector and Σ∈Rd×d is the covariance matrix, assumed symmetric positive definite (SPD).
Definition 2 (Mean and Covariance). For any random vector x with finite second moments:
μ=E[x],Σ=E[(x−μ)(x−μ)T]=Cov(x).(2)
Proposition 1.For x∼N(μ,Σ):
(i) E[x]=μ.
(ii) Cov(x)=Σ.
(iii) The moment generating function (MGF) is Mx(t)=exp(tTμ+21tTΣt).
Proof of (i) and (ii). Differentiate the MGF: E[x]=∇tMx(t)t=0=μ. For covariance, Cov(x)=∇2Mx(t)t=0−μμT=Σ. ■
Definition 3 (Precision Matrix). The precision matrix is Λ=Σ−1. It quantifies conditional dependencies: large ∣Λij∣ indicates strong partial correlation between components i and j.
The Characteristic Function and Derivation of the Density
Definition 4 (Characteristic Function). The characteristic function of x is:
φx(t)=E[eitTx],t∈Rd.(3)
Theorem 1.The characteristic function of x∼N(μ,Σ) is:
φx(t)=exp(itTμ−21tTΣt).(4)
Proof. By definition:
φx(t)=∫RdeitTxp(x)dx.(5)
Substitute y=x−μ and complete the square in the exponent:
The integral of the Gaussian kernel over y yields (2π)d/2∣Σ∣1/2, giving (4). ■
Corollary 1 (Normalization).The density (1) integrates to 1.
Proof. Setting t=0 in (4) gives φx(0)=1. By the inversion formula for characteristic functions (Fourier transform), the density integrates to 1. Alternatively, the completing-the-square argument above directly evaluates the integral. ■
Theorem 2 (Uniqueness).A distribution is uniquely determined by its characteristic function. Two random vectors with the same characteristic function (4) are equal in distribution.
This justifies defining the Gaussian via its characteristic function — a common approach in theoretical probability.
Geometric Interpretation and the Mahalanobis Distance
Definition 5 (Mahalanobis Distance). The squared Mahalanobis distance of x from μ is:
DM2(x,μ)=(x−μ)TΣ−1(x−μ).(7)
The Gaussian density (1) can be written as:
p(x)=(2π)d/2∣Σ∣1/21exp(−21DM2(x,μ)).(8)
Proposition 2 (Level Sets).The level sets {x:p(x)=c} are ellipsoids centered at μ:
{x:DM2(x,μ)=−2log(c⋅(2π)d/2∣Σ∣1/2)}.(9)
Theorem 3 (Spectral Decomposition).Let Σ=QΛQT be the eigendecomposition with orthonormal Q and diagonal Λ=diag(λ1,…,λd), λi>0. Then:
(i) The eigenvectors qi (columns of Q) are the principal axes of the ellipsoid.
(ii) The semi-axis lengths in direction qi are λi.
(iii) ∣Σ∣=∏i=1dλi (generalized variance).
Proof. Transform to whitened coordinates z=Λ−1/2QT(x−μ). Then DM2=∥z∥2 and level sets are spheres in z-space, which are ellipsoids in x-space with axes aligned to qi and lengths λi. ■
Interpretation. Uncorrelated components (Σ diagonal) yield axis-aligned ellipsoids. Strong correlation rotates the ellipsoid. Small eigenvalues indicate directions of low variance — the distribution is concentrated along those directions.
Affine Transformations
Theorem 4 (Affine Transformation).If x∼N(μ,Σ) and y=Ax+b where A∈Rm×d, b∈Rm, then:
Corollary 2 (Marginalization via Projection).If x∼N(μ,Σ) and y=Cx for selection matrix C=[Ik∣0], then y∼N(Cμ,CΣCT) — the marginal over the first k components.
Definition 6 (Reparameterization). For SPD Σ, let L be the Cholesky factor with Σ=LLT. Then:
x=μ+Lϵ,ϵ∼N(0,Id),(14)
is an equivalent sampling representation. This reparameterization trick is fundamental to VAE training.
Proof. The marginal is obtained by integrating out xb from the joint density. Equivalently, xa=[I∣0]x is an affine transformation. By Theorem 4 with A=[Ia∣0]:
Key insight. Marginalization of a Gaussian requires no integration — it is block extraction from the mean and covariance. This property is unique among common multivariate distributions and explains the tractability of Gaussian graphical models.
Conditioning and the Schur Complement
Theorem 6 (Conditional Distribution).With the partition (15), the conditional distribution is:
Expanding Q and collecting terms in xa (with xb=xb∗ fixed):
Q=(xa−μa∣b)TΣa∣b−1(xa−μa∣b)+const(xb∗).(23)
The constant depends only on xb∗ and cancels when normalizing. The result is a Gaussian in xa with mean (19) and covariance (20). ■
Interpretation of (19). Start from the prior mean μa. Add a linear correction proportional to the deviation (xb∗−μb). The matrix ΣabΣbb−1 is the optimal linear regression coefficient of xa on xb.
Interpretation of (20). The conditional covariance Σa∣b satisfies Σa∣b⪯Σaa (in the Loewner order). Observing xbnever increases uncertainty about xa. The reduction ΣabΣbb−1Σba is the Schur complement — it measures information gained.
Proposition 3.Σa∣b is symmetric positive definite whenever Σ is SPD and Σbb is invertible.
The Information Form and Products of Gaussians
Definition 7 (Information Form). Parameterize the Gaussian via precision Λ=Σ−1 and potential vectorη=Λμ:
p(x)∝exp(−21xTΛx+ηTx).(24)
Proposition 4 (Conversion).Given (μ,Σ):
Λ=Σ−1,η=Σ−1μ.(25)
Given (η,Λ):
Σ=Λ−1,μ=Λ−1η.(26)
Theorem 7 (Product of Gaussians).The product of two Gaussians in information form is proportional to a Gaussian:
N(x;μ1,Σ1)⋅N(x;μ2,Σ2)∝N(x;μ,Σ),(27)
with:
Λ=Λ1+Λ2,η=η1+η2.(28)
Proof. In information form, exponentials add: the product exponent is −21xT(Λ1+Λ2)x+(η1+η2)Tx, which is a Gaussian with precision Λ1+Λ2 and potential η1+η2. ■
Corollary 3 (Bayesian Updating).For Gaussian prior ϕ∼N(0,Σp) and Gaussian likelihood y∣ϕ∼N(Xϕ,σ2I), the posterior precision is:
Proof. Substitute (1) into (30). The quadratic form in the exponent integrates via standard Gaussian moment formulas. ■
Theorem 9 (Maximum Entropy).Among all distributions on Rd with given mean μ and covariance Σ, the Gaussian N(μ,Σ) maximizes differential entropy.
Proof sketch. Maximize h(p)=−∫plogp subject to ∫p=1, ∫xp=μ, ∫(x−μ)(x−μ)Tp=Σ using Lagrange multipliers. The Euler–Lagrange equation yields logp(x)=−1−λ0−λ1Tx−tr(Λ2(x−μ)(x−μ)T), which is the log of a Gaussian. Full derivation in Entropy. ■
ML significance. Choosing a Gaussian prior is the maximum entropy choice given only mean and covariance — the least committal assumption. This justifies Gaussian noise models and Gaussian approximate posteriors in variational inference.
Standard Identities and Special Cases
Proposition 5 (Standard Normal).If z∼N(0,Id) and x=μ+Lz with Σ=LLT, then x∼N(μ,Σ).
Proposition 6 (Uncorrelated Implies Independent — Gaussian Only).For jointly Gaussian (xa,xb), if Σab=0, then xa and xb are independent. This is false for general distributions.
which equals the conditional mean (19). For Gaussians, the conditional expectation is linear in xb — the best linear predictor is also the best (possibly nonlinear) predictor.
Theorem 10 (KL Divergence Between Gaussians — Preview).For p=N(μ1,Σ1) and q=N(μ2,Σ2):
Forward process q(xt∣x0)=N(αˉtx0,(1−αˉt)I) is affine (Theorem 4). Posterior q(xt−1∣xt,x0) is Gaussian via conditioning (Theorem 6). Products of Gaussians (Theorem 7) simplify the variational bound.
Common Pitfalls and Misconceptions
Pitfall 1: Confusing uncorrelated with independent. For non-Gaussian distributions, zero covariance does not imply independence. For Gaussians, it does (Proposition 6).
Pitfall 2: Using singular covariance matrices. The density (1) requires Σ to be invertible. Degenerate Gaussians (supported on a subspace) require care — use the characteristic function or restrict to the support subspace.
Pitfall 3: Conditioning on measure-zero events.P(xa∣xb=xb∗) is defined via densities, not limits of P(xa∣∣xb−xb∗∣<ϵ). The conditional formulas (19)–(20) are the correct definitions.
Pitfall 4: Forgetting that marginalization drops cross-terms.Σaa alone determines the marginal; off-diagonal blocks Σab affect marginals only through their contribution to the joint before integration.
Pitfall 5: Assuming all approximate posteriors are Gaussian. Variational inference often uses Gaussian approximations, but true posteriors in nonlinear models can be multimodal, skewed, or heavy-tailed.
Research Perspective
The multivariate Gaussian was studied systematically by Gauss, Laplace, and later multivariate statisticians (Hotelling, Wishart). Its closure properties were formalized in the mid-twentieth century and became the backbone of linear Gaussian state-space models (Kalman, 1960) and Gaussian processes (Rasmussen & Williams, 2006).
In modern deep learning, Gaussians remain central despite the nonlinearity of networks: diffusion models (Ho et al., 2020; Song et al., 2021) build on forward noising and reverse denoising of Gaussian perturbations; VAEs (Kingma & Welling, 2014) use Gaussian latents; and Laplace approximations to neural network posteriors (MacKay, 1992; Daxberger et al., 2021) exploit local Gaussian structure.
Research frontiers include: non-Gaussian diffusion (flow matching, Schrödinger bridges), structured covariances for scalable GPs, and understanding when Gaussian variational approximations fail for language model posteriors.
Summary of Takeaways
Density — (1) with Mahalanobis distance (7) — Noise models, priors