Context. At initialization a wide network is a Gaussian process (the NNGP correspondence), but that says nothing about training a loss that is nonconvex in the parameters, and by 2018 heavily over-parameterized networks were seen reaching zero training loss while their parameters barely moved. Jacot et al. describe training at infinite width with the parametrization; Chizat et al. ask what causes the phenomenon and whether deep learning succeeds in it. Gradient descent on the parameters is kernel gradient descent on the function, with tangent kernel . When fitting the data needs only a small parameter displacement, the Jacobian changes in proportion to that displacement, which is small relative to the Jacobian itself (the model leaves its linearization only at second order), so the kernel stays nearly frozen and the model trains as its linearization, a kernel method. Width produces this under scaling, but the cause is scale, and the networks that work are far from this regime.
Setting and kernel theorems (Jacot et al.). A fully connected network with preactivations , , all parameters i.i.d. and bias scale , trained on a finite data set with empirical measure along a function-space direction ( for gradient flow on a cost ). With the NNGP covariances , and the same expectation with , Theorem 1 says that for Lipschitz , as the widths go to infinity one after another, in probability, with Theorem 2: if is also twice differentiable with bounded and stays stochastically bounded (true for least squares), the kernel stays at uniformly on . Proposition 2: for non-polynomial Lipschitz and , is strictly positive definite on the sphere.
Least squares in the limit. With , , so the error along kernel principal component decays like , and for an invertible Gram matrix The first term is ridgeless NTK regression, so the kernel ridge and benign-overfitting analyses apply in this limit; the second is a centered Gaussian ( is a GP) whose variance vanishes on the data.
Lazy training for any model (Chizat et al.). Take a model into a Hilbert space with locally Lipschitz , a loss with Lipschitz gradient, the linearization , and the gradient flows , from on and , where only rescales time. In function space they are and , with tangent kernel . Training is lazy when Theorem 2.2 (finite horizon, any loss): if and is fixed, then as with constants exponential in and no convexity assumed. Theorem 2.3 (square loss): if is -Lipschitz and is -Lipschitz on the ball of radius around , then at ( plays the role of an iteration count) whenever , with no exponential in . Theorem 2.4 (over-parameterized, uniform in time): let be -smooth and -strongly convex with minimizer and condition number , let be the smallest singular value of (so is onto), and let . If , then for all and if the parameter, function and parameter-gap bounds hold uniformly in time, as , and . Theorem 2.5 (under-parameterized): if is separable, strongly convex, and constant near (a generic condition), then for the flow converges at a geometric rate, asymptotically independent of , to a local minimizer of , in general not a global one.
Gradient descent on the parameters is kernel gradient descent on the function. By the chain rule , and , so a convex cost reaches its minimum while stays positive definite. Since depends on , the argument needs two facts: the kernel becomes deterministic as width grows, and it does not move during training.
At initialization the kernel converges, by induction on depth. Add one random layer on top of a depth- network. Its own parameters contribute by the law of large numbers, as in the NNGP induction. The lower layers contribute, by the chain rule, and the induction hypothesis (gradients of distinct units become orthogonal) collapses the double sum to one average over i.i.d. Gaussian preactivations, which converges to . Taking the widths to infinity one at a time makes each step a plain law of large numbers. So is the last layer's learning and everything below it.
During training each weight and activation moves by . Induct on depth again and close with Grönwall. The top-layer weights move at speed , and the preactivations below move through the frozen sub-network kernel applied to a back-propagated direction that carries another factor . By Cauchy-Schwarz both speeds are at most times the current sizes, so , the initial norms plus displacements, obeys with the Lipschitz constant of . The exponent vanishes, so every displacement is . The induction also needs the sub-network's driving direction to have bounded integral, which an a priori lemma gives: in operator norm for every layer.
So the kernel is constant, while the function still moves. Each kernel entry is an average over units of products of activations, of preactivations, weights and the sub-network kernel, each moving by (for this is where bounded enters), so the kernel moves by uniformly on . This is the lazy mechanism in its first form: no feature changes at infinite width (the preactivations stay Gaussian with covariance ), yet the output moves by order one because units each contributing act coherently.
The limit kernel is positive definite on the sphere, through Hermite coefficients. The first term of the recursion is a Schur product of positive semidefinite kernels, so it suffices that is strictly positive definite, which propagates up the layers because a nondegenerate Gaussian vector and a nonconstant force for . The base case is a dot-product kernel; expanding a rescaled in Hermite polynomials, , gives for unit Gaussians with correlation , so A non-polynomial has infinitely many , and because every power-series coefficient of is positive, so Schoenberg's criterion in Gneiting's form gives strict positive definiteness. The bias is needed: with and an odd the network is odd in and the kernel is singular on every pair (our remark, not in the paper, which assumes throughout).
Least squares is a linear ODE. With and a constant kernel, is linear and the matrix exponential gives and above. The top kernel principal components fit first, which the paper offers as motivation for early stopping. The mean of is the posterior mean of a GP with prior given noiseless labels, but the network's prior is , so the second term's covariance is in general the posterior covariance of neither GP (our remark, not in the paper).
Laziness is set by scale, and width enters only through the normalization. One gradient step changes the objective, relatively, by about and the Jacobian by at most ; for the square loss the first dominates when (a sufficient condition). Rescaling gives , which falls like only if , arranged by a symmetrized initialization or by subtracting the initial function. A large arises as an output multiplier; as the initialization scale of a -homogeneous model, which acts as ; or as the normalization of with i.i.d. and . There , by cancellation, and the Hessian is block diagonal across neurons, so does not grow with . Hence : is lazy as , and the mean-field is not.
On a finite horizon the comparison is Grönwall in function space. The parameters cannot travel far: by Cauchy-Schwarz and the energy identity , So on , and satisfies , giving . The parameter gap is one order smaller because the parameter velocity carries an extra .
For the square loss the exponential disappears, because the linear part of the gap has a sign. The residual is monotone, so the parameter speed is at most and, under the condition on , the path stays in the ball of radius up to . In the first term is nonpositive and can be dropped, which is exactly what fails for a general loss. The forcing term grows linearly in , and integrating to gives in place of an exponential.
Over-parameterized, the metric stays nondegenerate forever. The kernel is bounded below near , and the flow converges fast enough never to leave. Within distance of , , and a strongly convex loss under a time-dependent metric bounded below by converges linearly by Polyak-Łojasiewicz plus Grönwall. Integrating the parameter speed against this exponential bounds the total displacement, which the assumptions keep below , so the exit time is infinite and convergence is global. A stability lemma for the gap, forced by , makes the comparison uniform in time.
Under-parameterized, straighten the image and get a local minimum. The constant-rank theorem flattens the image of near , an -dimensional manifold, through local diffeomorphisms of parameter space and of : with keeping the first coordinates. In these coordinates is strongly convex on a small chart for large (its curvature correction is of order ), with a minimizer at distance , so the flow converges geometrically and the parameters never leave the chart. The limit is the best point of the image manifold near , which need not contain the minimizer of .
The networks that work are not lazy. Two-layer ReLU students learn a 3-neuron teacher from initialization, where 2-homogeneity makes act as . In small sends the neurons to the teacher directions, while interpolates with a tiny displacement and finds none; in test loss rises with to the linearized plateau, and so does the best test loss along training, so early stopping does not help. Widened and fully linearized, VGG-11 and ResNet-18 reach 61.7% and 56.7% on CIFAR-10, against 89.7% and 91.0% trained normally. The comparison has a confound: the linearized models also fit their training sets poorly (61% and 55% widened, well short of 100% along the sweep), which for the sweep the authors trace to an ill-conditioned tangent kernel, whose top 0.2% of eigenvalues sit an order of magnitude above the rest, which decay like . So the gap mixes a worse function class with harder optimization.
Consequences and limits. Any differentiable model can be made lazy by a choice of scale, and then training is guaranteed and fast: an infinitely wide NTK-parametrized network reaches a global minimum of any convex loss on the data whenever is positive definite, at rates read off its spectrum and generalizes as kernel regression with an explicit kernel. The limitation comes from the same mechanism: features do not move, so the theory cannot account for feature learning, and a lazy model is a kernel method, the wrong one on hard tasks (compare the staircase paper of the high-dimensional SGD section). The scale is usually set implicitly, by the output normalization, the initialization variance or the factor; deep networks with i.i.d. weights essentially need variance of order , so wide standard networks do become lazy, and Yang and Hu identify the output multiplier and learning-rate exponents as what moves a wide network out of this regime.
Terms
- tangent kernel; parameter gradient flow gives
- NTK parametrization
- , all parameters
- limit kernel: lower-layer learning plus last-layer learning
- movement
- each weight, activation and kernel entry moves this much over a finite horizon
- NTK ridgeless interpolant plus a centered Gaussian that vanishes on the data
- rescaled objective; only fixes the time scale
- ; lazy when
- -homogeneous model
- scaling the initialization by equals
- Two-layer
- : lazy, mean field
- Lazy theorems
- : fixed horizon gap ; onto: global, uniform in time; constant rank: local minimum
Quiz
- Theorem 2 requires to stay bounded. What does the result therefore not give, even for least squares?The Grönwall exponent is , so the control holds for a fixed as . is the limit of the infinite-width ODE, with the two limits taken in that order.
- What is the second term in ?Gradient flow fits with the kernel and leaves the part of orthogonal to the data untouched. Since is a GP the term is Gaussian, and at it is .
- For , why does the Hessian norm not grow with while does?Each neuron's parameters enter only its own term, so , while . So gains a factor at .
- Along the sweep, the linearized VGG-11 stays far from 100% training accuracy despite having far more parameters than data points. What does the paper attribute this to?The tangent kernel spectrum shows the top 0.2% of eigenvalues an order of magnitude above the rest, then decay like . Gradient descent then makes little progress on most directions in the allotted epochs.
Sources
- Arthur Jacot, Franck Gabriel, and Clément Hongler. Neural Tangent Kernel: Convergence and Generalization in Neural Networks. NeurIPS, 2018.
- Lenaic Chizat, Edouard Oyallon, and Francis Bach. On Lazy Training in Differentiable Programming. NeurIPS, 2019.