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The limiting neural tangent kernel is strictly positive definite on every unit sphere

Statement

Assume AC. Fix n0≥1, L≥2, β>0, and a globally Lipschitz activation σ:R→R that is not a polynomial. For x,y on the unit sphere Sn0−1={x∈Rn0:∥x∥2=1}, define Σ1(x,y)=x⋅y/n0+β2. Recursively, for r=2,…,L, let (U,V) be a centered Gaussian pair whose covariance entries are Σr−1(x,x),Σr−1(y,y),Σr−1(x,y), and set

Σr(x,y)=E[σ(U)σ(V)]+β2,Dr(x,y)=E[s(U)s(V)],

where s is any bounded Borel representative of the almost-everywhere derivative of σ. Set Θ1=Σ1 and Θr(x,y)=Θr−1(x,y)Dr(x,y)+Σr(x,y). Then for every finite list of pairwise distinct points x1,…,xN∈Sn0−1 and every nonzero c∈RN,

∑i,j=1NcicjΘL(xi,xj)>0.

Thus the scalar limiting neural tangent kernel is strictly positive definite on every finite set of distinct sphere points, for every n0≥1 and L≥2. In dimension n0=1 this includes both antipodal points of S0={−1,1}.

Facts & Assumptions

Given: AC; n0≥1; L≥2; β>0; a globally Lipschitz nonpolynomial activation; and finitely many pairwise distinct unit vectors.

[A1]

AC supplies the Gaussian and Hermite probability constructions (The Axiom of Choice, AC supplies countable selections and prescribed serial paths).

[F1]

Every finite positive-semidefinite covariance matrix defines a centered Gaussian vector, singular cases included, and its covariance uniquely determines its law (Multivariate normal law, including singular covariance, Characteristic function of a multivariate normal law).

[F3]

The Gaussian-L² Hermite basis is complete, and its covariance expansion plus the positive-bias coefficient argument give strict activation covariance on the sphere, including n0=1 (Completeness of normalized probabilists’ Hermite polynomials in Gaussian L², Hermite expansion of a correlated Gaussian feature kernel, Positive bias makes the Hermite feature kernel strictly positive definite on every sphere).

[F4]

For a finite nondegenerate Gaussian covariance matrix, a globally Lipschitz nonconstant activation has strictly positive activation covariance; its bounded Borel derivative representative yields a positive-semidefinite derivative Gram, and the Schur product of two positive-semidefinite matrices is positive semidefinite (Gaussian activation covariance and tangent recursion preserve strict positivity).

[F5]

The source-normalized infinite-width theorem gives Θij1=Σij1 and Θijr=Θijr−1Σ˙ijr+Σijr entrywise, where Σ˙ijr is the Gaussian expectation of the two hidden-layer derivatives (The neural tangent kernel of a differentiable parameterized function, Jacot–Gabriel–Hongler width-normalized fully connected networks, Sequential infinite-width NTK limit and finite-time lazy training dynamics).

[F6]

Under countable choice, an absolutely continuous real function on a compact interval is differentiable almost everywhere (Absolutely continuous functions have integrable derivatives).

Proof

technique · use the biased Hermite supplier for the potentially singular first covariance, then propagate strictness through positive-definite Gaussian covariances and the tangent recursion
1.1A1F1F2F6givenconstruct

Fix pairwise distinct x1,…,xN on the sphere. The matrix Σ1 is a Gram matrix because Σij1=⟨(xi/n0,β),(xj/n0,β)⟩; it may be singular. Its diagonal is q=n0−1+β2>0. By [F2] and [F6], on each compact interval σ is absolutely continuous and differentiable almost everywhere; a countable union gives a null exceptional set, and the pointwise upper limit of bounded continuous difference quotients defines a bounded Borel representative s0 equal to σ′ wherever it exists. The given representative s agrees with s0 outside a null set; include this set and the nondifferentiability set in one null set E. The multivariate Gaussian with covariance Σ1 exists by [F1], and every coordinate has a positive-variance normal density and hence avoids E almost surely, so the choice of representative does not change any expectation.

2.1F1F3step 1.1algebra

The covariance Σ2 is strictly positive definite by [F3], applied to this finite set, with the same n0,β,σ. The derivative matrix D2 is positive semidefinite directly: for every c∈RN, cTD2c=E[(∑icis(Ui))2]≥0 for a common Gaussian vector U of covariance Σ1. Also, writing ui=(xi/n0,β), finite expansion gives cT(Σ1∘D2)c=E∥∑icis(Ui)ui∥22≥0, so Σ1∘D2 is positive semidefinite. Hence Θ2=Σ2+Σ1∘D2 is strictly positive definite.

3.1F4step 2.1givenalgebra

Let r≥3 and suppose Σr−1 is strictly positive definite. Its Gaussian vector therefore satisfies the nondegenerate-covariance hypothesis of [F4]; the activation is nonconstant because a nonpolynomial function cannot be constant. Thus Σr is strictly positive definite and Dr is positive semidefinite. If Θr−1 is positive semidefinite, [F4] makes Θr−1∘Dr positive semidefinite; adding Σr makes Θr strictly positive definite.

4.1F5step 2.1step 3.1∎

Step 2.1 initializes the induction with both Σ2 and Θ2 strictly positive definite. Repeated step 3.1 proves ΘL strictly positive definite for each L≥2. By [F5], this recursively defined kernel is the limiting NTK of the stated network on the chosen finite data set. Since the list was arbitrary, the claimed strict positive definiteness holds for every finite set of distinct sphere points, including the two points of S0.

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