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Probability-flow ODE has the same one-time marginals

Statement

Let d≥1, T>0, and let Pt be Borel probability laws on Rd for 0≤t≤T. Suppose each Pt has a positive finite Lebesgue density pt with ∫Rdpt(x) dx=1. Let bt(x)∈Rd and σt(x)∈Rd×m, where m≥1, and put at(x)=σt(x)σt(x)T. Assume at is symmetric, all displayed derivatives exist continuously, and time derivatives at the endpoints are one-sided. Suppose pt satisfies the forward Fokker–Planck equation

∂tpt=−∑i∂i(bt,ipt)+12∑i,j∂i∂j(at,ijpt).

Define st(x)=∇xlog⁡pt(x) and (∇ ⁣⋅at)i(x)=∑j∂jat,ij(x), and set vt(x)=bt(x)−12(∇ ⁣⋅at)(x)−12at(x)st(x). Assume v has a global C1 flow of diffeomorphisms Φt,s:Rd→Rd for 0≤s,t≤T, with Φs,s the identity, Φt,r∘Φr,s=Φt,s, ∂tΦt,s(x)=vt(Φt,s(x)), and ∂sΦt,s(x)=−DxΦt,s(x)vs(x), where Dx denotes the Jacobian matrix in the state variable. For Z0 with law P0, let Zt=Φt,0(Z0). Then Zt has law Pt for every t∈[0,T]. Thus the deterministic probability-flow ordinary differential equation (ODE) has the same one-time marginals as the probability-law solution of the displayed forward equation; no equality of path laws is asserted.

Write Cc1(Rd) for continuously differentiable real-valued functions with compact support. Here a time-dependent family of probability laws μt weakly solves ∂tμt+∇ ⁣⋅(vtμt)=0 if, for every continuously differentiable φ(t,x) with a common compact spatial support,

∫φ(t,x) μt(dx)−∫φ(0,x) μ0(dx)=∫0t∫(∂rφ(r,x)+vr(x)⋅∇xφ(r,x)) μr(dx) dr.

Facts & Assumptions

Given: The positive density family, Fokker–Planck equation, coefficient regularity, global flow, and initial law in the Statement.

[A1]

All derivatives in the Statement exist continuously, and the flow is global, jointly C1, and consists of diffeomorphisms satisfying both displayed flow derivative identities.

[F1]

The marginal score is st(x)=∇xlog⁡pt(x) at every point where pt is positive, finite, and spatially differentiable. Marginal score function

[F2]

If 0≤f1≤f2≤⋯ are measurable and fn↑f, then ∫fn dμ↑∫f dμ. Monotone convergence for the integral

[F3]

A class containing a π-system that generates the Borel σ-algebra and is a λ-system contains that σ-algebra. Dynkin's pi-lambda theorem

[F4]

The law of a random element is its probability pushforward; equality of laws means equality on every Borel set. Law or distribution of a random element

Proof

Given: The hypotheses and notation in the Statement.

1.1A1F1givenalgebra

For symmetric at, the product rule gives ∑i,j∂i∂j(at,ijpt)=∇ ⁣⋅((∇ ⁣⋅at)pt+at∇pt), since ∑j∂j(at,ijpt)=(∇ ⁣⋅at)ipt+∑jat,ij∂jpt. By [F1], ∇pt=ptst. Substitution into the Fokker–Planck equation therefore yields ∂tpt+∇ ⁣⋅(vtpt)=0. For a time-dependent test φ with common compact spatial support, differentiate ∫φ(t,x)pt(x)dx, substitute this equation, and integrate by parts; this gives exactly the weak continuity identity stated above.

1.2A1F4given

For Zt=Φt,0(Z0) and any continuously differentiable time-dependent test φ with common compact spatial support, the pathwise chain rule gives ddtφ(t,Zt)=∂tφ(t,Zt)+∇xφ(t,Zt)⋅vt(Zt). The derivative is bounded on the compact support by continuity of v and φ, so it is integrable; taking expectations and integrating in time proves that Qt:=Law⁡(Zt) satisfies the same weak continuity equation and has Q0=P0.

2.1A1F4givenstep 1.1step 1.2

Fix t∈[0,T] and ψ∈Cc1(Rd), and set φ(r,x)=ψ(Φt,r(x)) for 0≤r≤t. The flow identities in [A1] imply ∂rφ+vr⋅∇xφ=0; the support stays compact because it is the image of supp⁡ψ under the continuous maps Φr,t on the compact interval [0,t]. Applying the weak equation from steps 1.1 and 1.2 gives ∫ψ dPt=∫ψ(Φt,0(x)) P0(dx)=∫ψ dQt. Thus Pt and Qt agree on every Cc1 test.

3.1F2F3F4step 2.1algebra∎

For a bounded rational open box R=∏i=1d(ai,bi), let h(z) be 0 for z≤0, 3z2−2z3 for 0<z<1, and 1 for z≥1. Its derivative is 6z(1−z)≥0 on (0,1) and is 0 at the joins, so h is nondecreasing and C1. Set θn(u)=h(nu) and gn(x)=∏iθn(xi−ai)θn(bi−xi). Then gn∈Cc1, 0≤gn≤1, and gn↑1R pointwise. Step 2.1 and [F2] give Pt(R)=Qt(R). Bounded rational open boxes, together with ∅ and Rd, form a π-system. They generate the Borel sets because every point of an open set lies in a bounded rational open box contained in that set. The class D={A Borel:Pt(A)=Qt(A)} contains Rd, is closed under complements by equality of the total masses, and is closed under disjoint countable unions by countable additivity; hence it is a λ-system. By [F3], [F4], and the definition of law, Pt=Qt on all Borel sets, proving equality of the one-time marginals.

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