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Instantaneous change of variables along a neural ODE flow

Statement

Assume Countable Choice. Let T>0, let d,q≥1, let Θ⊆Rq be open, let I⊆R be an open interval containing [0,T], and let v:I×Rd×Θ→Rd be jointly C∞. For every compact K⊆Θ, assume there are constants LK,MK≥0 such that, for all t∈[0,T], η∈K, and z,w∈Rd,

∥v(t,z,η)−v(t,w,η)∥2≤LK∥z−w∥2,∥v(t,0,η)∥2≤MK.

Fix θ∈Θ and let Φt:=Φt,0θ:Rd→Rd be its flow. Let p0:Rd→(0,∞) be a continuous probability density with respect to Lebesgue measure, define μ0(E):=∫Ep0(z) dz for Borel E, and define the pushforward measure μt(E):=μ0(Φt−1(E)). For y∈Rd, set

pt(y):=p0(Φt−1(y))∣det⁡DΦt(Φt−1(y))∣.

Then pt is a density of μt. For every z0∈Rd, write zt:=Φt(z0) and Jt:=DΦt(z0); the determinant of Jt is positive and

pt(Φt(z0))=p0(z0)det⁡Jt>0,ddtlog⁡pt(zt)=−tr⁡(Dzv(t,zt,θ))=−∑i=1d∂zivi(t,zt,θ),

The derivative identity holds for 0<t<T and has one-sided meanings at 0 and T.

Facts & Assumptions

Given: Countable Choice, the parameterized ODE hypotheses in the Statement, a fixed θ∈Θ, and the positive continuous initial probability density p0.

[F1]

A parameterized neural ordinary differential equation: for fixed θ, the state satisfies z˙=vθ(t,z) on its interval.

[F2]

A globally Lipschitz neural ODE has a global smooth flow: under the stated smoothness, compact-neighborhood global Lipschitz, and origin-bound hypotheses, Φt,sθ exists on [0,T] and each time slice is a smooth diffeomorphism, with identity flow at t=s.

[F3]

A continuous flow changes log density by minus its divergence: assuming Countable Choice, a common C1 flow of C1 diffeomorphisms and a positive continuous initial probability density, the pushforward density is pt(Φt(x))=p0(x)/det⁡DΦt(x)>0 and its logarithmic derivative along trajectories is minus the state divergence.

[A1]

The Axiom of Countable Choice (ACω): every countable family of nonempty sets has a choice function; it is assumed only through [F3]'s use of the library change-of-variables theorem.

Proof

technique · direct

Given: The finite-time parameterized ODE, its compact-neighborhood hypotheses, Countable Choice, and p0 as in the Statement.

1.1givenF1F2F3

Fix θ. By [F1] this is a first-order IVP, and [F2] supplies its flow Φt on all of [0,T]; every slice is a C1 diffeomorphism of Rd and Φ0 is the identity. Hence the flow and initial density satisfy the hypotheses of [F3].

2.1A1F3step 1.1algebra∎

Apply [F3] using the assumed Countable Choice [A1]. It gives that the displayed pt is a density of the pushforward and that pt(Φt(z0))=p0(z0)/det⁡Jt>0 with logarithmic derivative −tr⁡(Dzv(t,zt,θ)). By the definition of trace as the sum of diagonal entries, this is −∑i=1d∂zivi(t,zt,θ); [F3] gives the stated endpoint convention.

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