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Dual coordinates and KL projections

A regular minimal exponential family has two useful coordinate systems: natural parameters and expected sufficient statistics. They describe the same distributions but assign different meanings to a straight path. Their relation to Fisher information gives an exact KL version of Pythagoras.

Two coordinate systems from one potential

Use the full exponential family

pθ(x)=h(x)exp{θTT(x)ψ(θ)}p_\theta(x)=h(x)\exp\{\theta^\mathsf{T}T(x)-\psi(\theta)\}

on an open convex natural domain Θ\Theta. Assume minimality and the regularity from the exponential-family note. Write η=ψ(θ)\eta=\nabla\psi(\theta) and G=2ψ(θ)>0G=\nabla^2\psi(\theta)>0. Work on the image of this gradient map; every segment used below is assumed to remain in the relevant coordinate domain.

The convex conjugate of ψ\psi is

ψ(η)=supϑΘ{ϑTηψ(ϑ)}.\psi^*(\eta)=\sup_{\vartheta\in\Theta} \{\vartheta^\mathsf{T}\eta-\psi(\vartheta)\}.

At η=ψ(θ)\eta=\nabla\psi(\theta), strict convexity puts the unique maximizer at ϑ=θ\vartheta=\theta. Differentiating ψ(η)=θ(η)Tηψ(θ(η))\psi^*(\eta)=\theta(\eta)^\mathsf{T}\eta-\psi(\theta(\eta)) cancels the terms involving dθd\theta, giving

ψ(η)=θ,2ψ(η)=G1.\nabla\psi^*(\eta)=\theta,\qquad \nabla^2\psi^*(\eta)=G^{-1}.

The Fisher metric is GG in natural coordinates and G1G^{-1} in expectation coordinates, since dη=Gdθd\eta=G\,d\theta. For Bernoulli distributions, η=q\eta=q and ψ(q)=qlogq+(1q)log(1q)\psi^*(q)=q\log q+(1-q)\log(1-q) on (0,1)(0,1), the negative binary entropy. For a general carrier hh, the conjugate need not equal negative entropy relative to ν\nu without a carrier-dependent term.

KL is a Bregman divergence with a particular orientation

For a differentiable strictly convex function FF, define

BF(a,b)=F(a)F(b)F(b)T(ab).B_F(a,b)=F(a)-F(b)-\nabla F(b)^\mathsf{T}(a-b).

It is the gap between F(a)F(a) and the tangent plane to FF at bb. Convexity makes it nonnegative; it is generally asymmetric. Taking the expected log density ratio inside our family gives

DKL(pθpϕ)=ψ(ϕ)ψ(θ)ηθT(ϕθ)=Bψ(ϕ,θ)=Bψ(ηθ,ηϕ),\begin{aligned} D_{\mathrm{KL}}(p_\theta\|p_\phi) &=\psi(\phi)-\psi(\theta)-\eta_\theta^\mathsf{T}(\phi-\theta)\\ &=B_\psi(\phi,\theta) =B_{\psi^*}(\eta_\theta,\eta_\phi), \end{aligned}

where ηθ=ψ(θ)\eta_\theta=\nabla\psi(\theta). The order of the natural parameters is reversed in BψB_\psi. Checking this order prevents sign and projection errors later.

Two notions of straightness

An exponential geodesic, or e-geodesic, is affine in natural coordinates: θ(t)=(1t)θ0+tθ1\theta(t)=(1-t)\theta_0+t\theta_1. Its density is proportional to pθ01tpθ1tp_{\theta_0}^{1-t}p_{\theta_1}^t, with the normalizer restoring total mass one.

A mixture geodesic, or m-geodesic of the induced connection on this family, is affine in expectation coordinates: η(t)=(1t)η0+tη1\eta(t)=(1-t)\eta_0+t\eta_1. It linearly interpolates the expected sufficient statistics. Inside a general exponential family it need not be the literal mixture (1t)pθ0+tpθ1(1-t)p_{\theta_0}+tp_{\theta_1}. For example, mixing two independent product distributions can introduce dependence and leave a family of independent variables, while interpolating its expectation parameters stays within that family.

These straightness rules define two flat torsion-free connections, (e)\nabla^{(e)} and (m)\nabla^{(m)}. They are dual with respect to gg: for smooth vector fields U,V,WU,V,W,

U[g(V,W)]=g(U(e)V,W)+g(V,U(m)W).U[g(V,W)] =g(\nabla^{(e)}_U V,W)+g(V,\nabla^{(m)}_U W).

The natural and expectation coordinate bases are metric-dual:

g ⁣(θi,ηj)=δij.g\!\left(\frac{\partial}{\partial\theta_i}, \frac{\partial}{\partial\eta_j}\right)=\delta_{ij}.

Indeed, changing the second basis multiplies by G1G^{-1}, and GG1GG^{-1} is the identity. This is the algebraic source of the orthogonality calculation that follows.

A three-point identity and Pythagoras

For three natural parameters θ,ϕ,χ\theta,\phi,\chi, substitution into (5) and cancellation of the potential terms gives

DKL(pθpχ)=DKL(pθpϕ)+DKL(pϕpχ)+(ηϕηθ)T(χϕ).\begin{aligned} D_{\mathrm{KL}}(p_\theta\|p_\chi) &=D_{\mathrm{KL}}(p_\theta\|p_\phi) +D_{\mathrm{KL}}(p_\phi\|p_\chi)\\ &\quad +(\eta_\phi-\eta_\theta)^\mathsf{T}(\chi-\phi). \end{aligned}

At ϕ\phi, the m-geodesic toward θ\theta has expectation-coordinate velocity ηθηϕ\eta_\theta-\eta_\phi. The e-geodesic toward χ\chi has natural-coordinate velocity χϕ\chi-\phi. Their Fisher inner product is (ηθηϕ)T(χϕ)(\eta_\theta-\eta_\phi)^\mathsf{T}(\chi-\phi) by the dual-basis identity. If it vanishes, the cross term above vanishes and

DKL(pθpχ)=DKL(pθpϕ)+DKL(pϕpχ).D_{\mathrm{KL}}(p_\theta\|p_\chi) =D_{\mathrm{KL}}(p_\theta\|p_\phi) +D_{\mathrm{KL}}(p_\phi\|p_\chi).

This is an exact divergence identity for these orthogonal dual geodesics. It is different from a squared-distance identity for arbitrary Riemannian triangles, and from the L2L^2 projection identity.

When minimization gives the orthogonality condition

Let S=(a+V)ΘS=(a+V)\cap\Theta be an affine constraint in natural coordinates, where VV is a linear subspace. Fix pθp_\theta and suppose a minimizer ϕS\phi\in S of DKL(pθpϕ)D_{\mathrm{KL}}(p_\theta\|p_\phi) exists. Since Θ\Theta is open, ϕ\phi is interior relative to a+Va+V. The directional derivative along any vVv\in V is

vT(ηϕηθ)=0.v^\mathsf{T}(\eta_\phi-\eta_\theta)=0.

For every χS\chi\in S, we have χϕV\chi-\phi\in V, so the Pythagorean equality holds. Strict convexity in the second natural argument makes this minimizer unique. Existence and interior attainment are hypotheses, not consequences of the word projection. More general convex constraints yield a Pythagorean inequality through a one-sided first-order condition; curved constraints do not give this global affine argument.

For an explicit two-dimensional example, take two independent Bernoulli variables with success probabilities (q1,q2)(q_1,q_2). Their natural parameters are the component log odds and ψ(θ)=log(1+eθ1)+log(1+eθ2)\psi(\theta)=\log(1+e^{\theta_1})+\log(1+e^{\theta_2}). Constrain the second success probability to a fixed c(0,1)c\in(0,1), which fixes the second natural parameter. The projection of (a,b)(a,b) is (a,c)(a,c). For any other constrained point (d,c)(d,c), KL additivity for product laws gives

D((a,b)(d,c))=dB(ad)+dB(bc)=D((a,b)(a,c))+D((a,c)(d,c)),dB(uv)=uloguv+(1u)log1u1v.\begin{aligned} D((a,b)\|(d,c)) &=d_{\mathrm B}(a\|d)+d_{\mathrm B}(b\|c)\\ &=D((a,b)\|(a,c))+D((a,c)\|(d,c)),\\ d_{\mathrm B}(u\|v) &=u\log\frac uv+(1-u)\log\frac{1-u}{1-v}. \end{aligned}

Here DD denotes KL between the product laws. The m-direction from (a,c)(a,c) to (a,b)(a,b) changes only the second expectation coordinate; the e-direction toward (d,c)(d,c) changes only the first natural coordinate. Their Fisher inner product is zero.

Alpha-connections and the meaning of curvature

For a general regular statistical model with finite score third moments, define the symmetric cubic tensor

Cijk=Eθ[sisjsk].C_{ijk}=\mathbb E_\theta[s_i s_j s_k].

Assume enough smoothness for the metric and this tensor to define smooth connections. Let CC^\sharp be the vector-valued tensor obtained by raising its last index with the inverse Fisher metric, so g(C(U,V),W)=C(U,V,W)g(C^\sharp(U,V),W)=C(U,V,W). We use the convention

U(α)V=ULCVα2C(U,V).\nabla^{(\alpha)}_U V =\nabla^{\mathrm{LC}}_U V-\frac\alpha2 C^\sharp(U,V).

The connections for α\alpha and α-\alpha are dual. In our full exponential family, Cijk=ijkψC_{ijk}=\partial_i\partial_j\partial_k\psi, the Levi-Civita coefficients with the final index lowered are Cijk/2C_{ijk}/2 in natural coordinates, and therefore

Γijk(α)=1α2ijkψ.\Gamma^{(\alpha)}_{ijk} =\frac{1-\alpha}{2}\partial_i\partial_j\partial_k\psi.

At α=1\alpha=1, these coefficients vanish in natural coordinates: this is the exponential connection. At α=1\alpha=-1, the mixture connection has vanishing coefficients in expectation coordinates. The Levi-Civita connection is α=0\alpha=0.

Curvature measures the obstruction to path-independent parallel transport locally. It belongs to a specified connection. Dual flatness says that the exponential and mixture connections are flat. It does not assert that the Levi-Civita connection is flat. Conversely, a general regular statistical model can possess a Fisher metric and these alpha-connections without a dually flat structure. A Hessian metric in natural affine coordinates need not remain an ordinary coordinate Hessian after a nonlinear chart change.

For a systematic treatment of the dual connections and their projection geometry, see §§3.3–3.9 of Frank Nielsen’s An elementary introduction to information geometry. Detailed curvature examples and EM as alternating KL projection belong to the later sequence. The present EM note establishes the ordinary likelihood calculation needed first.

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