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Expected generalization of nonconvex stochastic gradient training

Statement

Let n≥2, T,d≥1, and let β,c>0 and L≥0. Let (X,ΣX), (Y,ΣY), and (A,ΣA) be measurable spaces, let P be a probability measure on X×Y, let ℓ:A×Y→[0,+∞) be a measurable loss, and let fw:X→A be a measurable predictor for every w∈Rd. For z=(x,y) set g(w,z)=ℓ(fw(x),y). Assume (w,z)↦g(w,z) and (w,z)↦∇wg(w,z) are jointly measurable. For every z, assume g(⋅,z) is totally differentiable, takes values in [0,1], is L-Lipschitz in values, and has a β-Lipschitz Euclidean gradient; these mean, respectively,

∣g(w,z)−g(v,z)∣≤L∥w−v∥2,∥∇wg(w,z)−∇wg(v,z)∥2≤β∥w−v∥2

for all v,w∈Rd. No convexity is assumed. Let S=(Z1,…,Zn) be IID with law P, and abbreviate RP(fw)=∫g(w,z) P(dz) and R^S(fw)=n−1∑i=1ng(w,Zi). Let I1,…,IT be random indices in {1,…,n}, independent of S and satisfying P(It=i)=1/n for every 1≤t≤T and 1≤i≤n; dependence between indices at different times is allowed. From a fixed w0∈Rd, define

wt=wt−1−αt∇wg(wt−1,ZIt),1≤t≤T,

where 0≤αT≤⋯≤α1 and αt≤c/t. Assume the resulting random variables RP(fwT) and R^S(fwT) are measurable; they are integrable because 0≤g≤1. Then the randomized procedure has uniform replacement stability and absolute expected population-minus-empirical risk gap at most

(1+1βc)(2cL2)1/(βc+1)n−1 Tβc/(βc+1).

If L=0, the right side is interpreted as 0. The conclusion concerns only this expected gap for the stated random sample-selection procedure; it does not assert generalization for every stochastic-gradient oracle.

Statement references

Hardt, Recht, and Singer, arXiv-version Theorem 3.12 and complete proof (conference Theorem 3.8): full arXiv paper.

Matni, Lecture 16, §4: full lecture notes.

Facts & Assumptions

Given: The supervised IID sample, independent uniform-marginal indices, fixed initialization, loss range/Lipschitz/smoothness assumptions, nonincreasing steps, and integrable risk maps in the Statement.

[F1]

The total (Fréchet) derivative Df(a) as the linear first-order approximation with o(∥h∥2) remainder and The Jacobian matrix of partial derivatives and the gradient in the scalar-valued case: total differentiability means a linear first-order approximation with normwise o(∥h∥2) remainder, and the scalar gradient is the vector of its partial derivatives.

[F2]

The Euclidean inner product ⟨x,y⟩=∑k<nxkyk on Rn: ⟨u,v⟩ is the Euclidean inner product and ∥u∥2=⟨u,u⟩.

[F3]

For a differentiable scalar field, Dvf(a)=⟨∇f(a),v⟩ and the unit direction of steepest ascent is the normalized gradient: for a totally differentiable scalar field, Dvg(w,z)=⟨∇wg(w,z),v⟩.

[F5]

Uniform stability for randomized learning rules: uniform replacement stability bounds the absolute difference of expected test losses for every fixed adjacent sample pair and test observation.

[F6]

Uniform stability implies expected generalization: such a stability bound implies the same absolute expected population-minus-empirical risk gap under its IID, measurability, and integrability conditions.

[F8]

The natural logarithm has derivative 1/x and equals the integral from 1 to x of 1/t and Order, continuity, range, and the product, quotient, and reciprocal laws for the natural logarithm: log⁡b−log⁡a=∫abx−1 dx for 0<a≤b, and log⁡(b/a)=log⁡b−log⁡a.

[F9]

Real powers for positive bases, with the zero-base positive-exponent convention: for a>0, aq=exp⁡(qlog⁡a); Continuity and derivatives of positive-base real powers gives (xq)′=qxq−1 on (0,∞).

[F10]

The second fundamental theorem: if G is differentiable on [a,b] with G′=f and f is integrable, then ∫abf=G(b)−G(a): for a<b, if G is differentiable on [a,b] and G′ is integrable there, then ∫abG′=G(b)−G(a).

[F12]

Identical distribution and IID families: the observations are mutually independent and have the common law P.

[F13]

Supervised prediction problems and Population and empirical risk: the loss, population risk, and empirical risk use the stated measurable observation law and loss.

[F14]

A continuous function on [a,b] is Riemann integrable, by Heine-Cantor and Riemann's criterion: every continuous real function on a compact interval [a,b] with a<b is Riemann integrable there.

[A1]

The joint loss and gradient maps and the displayed population-risk and empirical-risk random variables are measurable. The loss range [0,1] makes all these risks integrable.

[A2]

Each sample index is uniform and the whole index vector is independent of the sample; no cross-time independence is assumed.

Proof

1.1F1F2F3F4givenalgebra

For any w,z with ∇wg(w,z)≠0, take v=∇wg(w,z)/∥∇wg(w,z)∥2, which is a unit vector by [F2] and [F4]. The directional derivative of t↦g(w+tv,z) at zero is ∥∇wg(w,z)∥2 by [F1] and [F3], while the value-Lipschitz condition bounds the absolute difference quotient by L. Thus ∥∇wg(w,z)∥2≤L; the zero-gradient case is immediate.

1.2F7F8F9F11givenalgebra

Put q=βc>0. By [F7], αk≤c/k, and finite multiplication, ∏k=s+1T(1+βαk)≤exp⁡ ⁣(q∑k=s+1T1k). If s=T, the product is empty and equals (T/s)q=1. If s<T, then for each k>s and x∈[k−1,k], 1/x≥1/k, so [F11] gives 1/k≤∫k−1kdx/x. Additivity over these nondegenerate intervals and [F8] yield ∑k=s+1T1/k≤∫sTdx/x=log⁡(T/s). Therefore the product is at most (T/s)q by [F8] and [F9].

2.1A2F4step 1.1givenconstruct

Fix neighboring samples S,S′ that differ at coordinate j and couple their runs using the same index vector. Let δt=∥wt(S)−wt(S′)∥2, with δ0=0. If It≠j, the same example is used in both updates, so gradient smoothness gives δt≤(1+βαt)δt−1. If It=j, add and subtract ∇wg(wt−1(S′),Zj); smoothness for the common example, the triangle inequality from [F4], and step 1.1 give δt≤(1+βαt)δt−1+2αtL. Thus, for every update, δt≤(1+βαt)δt−1+2αtL1{It=j}.

3.1A2step 2.1givenalgebra

Iterating the finite recurrence in step 2.1 from δ0=0 yields δT≤2L∑s=1Tαs1{Is=j}∏k=s+1T(1+βαk). The loss difference at any fixed test point is at most 1 by the range hypothesis and at most LδT by value-Lipschitzness. For nonnegative as, min⁡(1,∑sas)≤∑smin⁡(1,as): if any as≥1 the right side is at least 1, and otherwise it equals ∑sas. Applying this to the displayed kicks and using P(Is=j)=1/n gives EI∣g(wT(S),z)−g(wT(S′),z)∣≤1n∑s=1Tmin⁡ ⁣(1,2L2αs∏k=s+1T(1+βαk)).

4.1F9F11F14step 1.1step 1.2step 3.1givenalgebra

If L=0, step 1.1 gives zero gradients, so the output is independent of the sample and stability is zero; set r=0. Suppose L>0 and put r=(2cL2)1/(q+1)Tq/(q+1)>0. By step 1.2 and αs≤c/s, the sth summand in step 3.1 is at most h(s), where h(x)=min⁡{1,(r/x)q+1} for x≥1. This function is continuous by [F9]. If r≥1, it equals 1 up to r and then decreases; if r<1, it decreases throughout, since (r/x)q+1 has negative derivative. Thus it is nonincreasing. If T=1, the sum is h(1). If T≥2, [F14] makes h integrable on [1,T]; for each integer s≥2, [F11] gives h(s)≤∫s−1sh(x) dx. Additivity over these adjacent intervals then yields ∑s=1Th(s)≤h(1)+∫1Th(x) dx.

5.1F9F10F11F14step 3.1step 4.1algebra

If L=0, step 4.1 gives stability zero. Suppose L>0. When T=1 and r≥1, h(1)=1≤(1+1/q)r; when T=1 and 0<r<1, h(1)=rq+1≤(1+1/q)r. Now let T≥2. The displayed integrands are continuous on their compact intervals and hence integrable by [F14]. If r≥1, then h(1)=1. For T≤r, h=1 on [1,T] and ∫1Th(x) dx=T−1≤r−1. For T>r=1, h(x)=x−(q+1) on [1,T], so [F9] and [F10] give ∫1Th(x) dx=(1/q)(1−T−q)≤1/q. For T>r>1, split at r using [F11] and integrate 1 on [1,r] and rq+1x−(q+1) on [r,T] to get ∫1Th(x) dx=(r−1)+(r/q)(1−(r/T)q)≤r−1+r/q. In each case h(1)+∫1Th≤(1+1/q)r. If 0<r<1, then h(1)=rq+1 and [F9]–[F10] give ∫1Th(x) dx=rq+1q(1−T−q)≤rq+1q, so h(1)+∫1Th≤(1+1/q)rq+1≤(1+1/q)r. In every case, step 4.1 now bounds the sum in step 3.1 by (1+1/q)r. Therefore the right side of step 3.1 is at most (1+1/q)r/n.

6.1A1F5F6F12F13step 3.1step 4.1step 5.1givenalgebra∎

Steps 3.1, 4.1, and 5.1 show that every neighboring sample pair and test point has expected absolute loss change at most (1+1/q)r/n. This implies uniform replacement stability at that level by [F5]. Since n≥2, (1+1/q)r/n≤(1+1/q)r/(n−1). The sample is IID by [F12], the risk conventions are [F13], and the measurable, integrable risks meet [A1]. Apply [F6] and substitute q=βc and the value of r to obtain the stated expected-gap bound.

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