Beyond Linearization: On Quadratic and Higher-Order Approximation of Wide Neural Networks
Yu Bai, Jason D. Lee
Introduction
Deep Learning has made remarkable impact on a variety of artificial intelligence applications such as computer vision, reinforcement learning, and natural language processing. Though immensely successful, theoretical understanding of deep learning lags behind. It is not understood how non-linear neural networks can be efficiently trained to approximate complex decision boundaries with a relatively few number of training samples.
There has been a recent surge of research on connecting neural networks trained via gradient descent with the neural tangent kernel (NTK) (Jacot et al., 2018; Du et al., 2018a, b; Chizat and Bach, 2018b; Allen-Zhu et al., 2018a; Arora et al., 2019a, b). This line of analysis proceeds by coupling the training dynamics of the nonlinear network with the training dynamics of its linearization in a local neighborhood of the initialization, and then analyzing the expressiveness and generalization of the network via the corresponding properties of its linearized model.
Though powerful, NTK is not yet a completely satisfying theory for explaining the success of deep learning in practice. In theory, the expressive power of the linearized model is roughly the same as, and thus limited to, that of the corresponding random feature space (Allen-Zhu et al., 2018a; Wei et al., 2019) or the Reproducing Kernel Hilbert Space (RKHS) (Bietti and Mairal, 2019). While these spaces can approximate any regular (e.g. bounded Lipschitz) function up to arbitrary accuracy, the norm of the approximators can be exponentially large in the feature dimension for certain non-smooth but very simple functions such as a single ReLU (Yehudai and Shamir, 2019). Using NTK analyses, the sample complexity bound for learning these functions can be poor whereas experimental evidence suggests that the sample complexity is mild (Livni et al., 2014). In practice, kernel machines with the NTK have been experimentally demonstrated to yield competitive results on large-scale tasks such as image classification on CIFAR-10; yet there is still a non-neglible performance gap between NTK and full training on the same convolutional architecture (Arora et al., 2019a; Lee et al., 2019). It is an increasingly compelling question whether we can establish theories for training neural networks beyond the NTK regime.
In this paper, we study the optimization and generalization of over-parametrized two-layer neural networks via relating to their higher-order approximations, a principled generalization of the NTK. Our theory starts from the fact that a two-layer neural network (with smooth activation) can be Taylor expanded with respect to the weight matrix as
Above, does not depend on , and corresponds to the NTK model, which is the dominant -dependent term when are small and leads to the coupling between the gradient dynamics for training neural net and its NTK .
Our key observation is that the dominance of is deduced from comparing the upper bounds—rather than the actual values—of . It is a priori possible that there exists a subset of ’s in which the dominating term is not but some other , . If we were able to train in that set, the gradient dynamics would be coupled with the dynamics on rather than and thus could be very different. That learning is coupled with could further offer possibilities for expressing certain functions with parameters of lower complexities, or generalizing better, as is no longer a linearized model. In this paper, we build on this perspective and identify concrete regimes in which neural net learning is coupled with higher-order ’s rather than its linearization.
The contribution of this paper can be summarized as follows.
We demonstrate that after randomization, the linear NTK is no longer the dominant term, and so the gradient dynamics of the neural net is no longer coupled with NTK. Through a simple sign randomization, the training loss of an over-parametrized two-layer neural network can be coupled with that of a quadratic model (Section 3). We prove that the randomized neural net loss exhibits a nice optimization landscape in that every second-order stationary point has training loss not much higher than the best quadratic model, making it amenable to efficient minimization (Section 4).
We establish results on the generalization and expressive power of such randomized neural nets (Section 5). These results lead to sample complexity bounds for learning certain simple functions that matches the NTK without distributional assumptions and are advantageous when mild isotropic assumptions on the feature are present. In particular, using randomized networks, the sample complexity bound for learning polynomials (and their linear combination) on (relatively) uniform base distributions is lower than using NTK.
We show that the randomization technique can be generalized to find neural nets that are dominated by the -th order term in their Taylor series () which we term as higher-order NTKs. These models also have expressive power similar as the linear NTK, and potentially even better generalization and sample complexity (Section 6 & Appendix D).
We review prior work on the optimization, generalization, and expressivity of neural networks.
Neal (1996) first proposed the connection between infinite-width networks and kernel methods. Later work (Daniely et al., 2016; Williams, 1997; Lee et al., 2018; Novak et al., 2019; Matthews et al., 2018) extended this connection to various settings including deep networks and deep convolutional networks. These works established that gradient descent on only the output layer weights is well-approximated by a kernel method for large width.
More recently, several groups discovered the connection between gradient descent on all the parameters and the neural tangent kernel (Jacot et al., 2018). Li and Liang (2018); Du et al. (2018b) utilized the coupling of the gradient dynamics to prove that gradient descent finds global minimizers of the training loss of two-layer networks, and Du et al. (2018a); Allen-Zhu et al. (2018b); Zou et al. (2018) generalized this to deep residual and convolutional networks. Using the NTK coupling, Arora et al. (2019b); Cao and Gu (2019a, b) proved generalization error bounds that match the kernel method.
Despite the close theoretical connection between NTK and training deep networks, Arora et al. (2019a); Lee et al. (2019); Chizat and Bach (2018b) empirically found a significant performance gap between NTK and actual training. This gap has been theoretically studied in Wei et al. (2019); Allen-Zhu and Li (2019); Yehudai and Shamir (2019); Ghorbani et al. (2019a) which established that NTK has provably higher generalization error than training the neural net for specific data distributions and architectures.
The idea of randomization is initiated by Allen-Zhu et al. (2018a), who use randomization to provably learn a three-layer network; however it is unclear how the sample complexity of their algorithm compares against the NTK. Inspired by their work, we study the potential gains of coupling with a non-linear approximation over the linear NTK — we compare the performance of a quadratic approximation model with the linear NTK on two-layer networks and find that under mild data assumptions the quadratic approximation reduces sample complexity under mild data assumptions.
It is believed that the success of SGD is largely due to its algorithmic regularization effects. A large body of work Li et al. (2017); Nacson et al. (2019); Gunasekar et al. (2018b, a, 2017); Woodworth et al. (2019) shows that asymptotically gradient descent converges to a max-margin solution with a strong regularization effect, unlike the NTK regularizationAs a concrete example, Woodworth et al. (2019) showed that for matrix completion the NTK solution estimates zero on all unobserved entries and the max-margin solution corresponds to the minimum nuclear norm solution..
For two-layer networks, a series of works used the mean field method to establish the evolution of the network parameters via a Wasserstein gradient flow (Mei et al., 2018b; Chizat and Bach, 2018a; Wei et al., 2018; Rotskoff and Vanden-Eijnden, 2018; Sirignano and Spiliopoulos, 2018). In the mean field regime, the parameters move significantly from their initialization, unlike NTK regime, however it is unclear if the dynamics converge to solutions of low training loss.
Finally, Li et al. (2019) showed how a combination of large learning rate and injected noise amplifies the regularization from the noise and outperforms the NTK of the corresponding architecture.
Many prior works have tried to establish favorable landscape properties such as every local minimum is a global minimum (Ge et al., 2017; Du and Lee, 2018; Soltanolkotabi et al., 2018; Hardt and Ma, 2016; Freeman and Bruna, 2016; Nguyen and Hein, 2017a, b; Haeffele and Vidal, 2015; Venturi et al., 2018). Combining with existing advances in gradient descent avoiding saddle-points (Ge et al., 2015; Lee et al., 2016; Jin et al., 2017), these show that gradient descent find the global minimum. Notably, Du and Lee (2018); Ge et al. (2017) show that gradient descent converges to solutions also of low test error, with lower sample complexity than their corresponding NTKs.
Recently, researchers have studied norm-based generalization based (Bartlett et al., 2017; Neyshabur et al., 2015; Golowich et al., 2017), tighter compression-based bounds (Arora et al., 2018), and PAC-Bayes bounds (Dziugaite and Roy, 2017; Neyshabur et al., 2017) that identify properties of the parameter that allow for efficient generalization.
Preliminaries
denote respectively the empirical risk and population risk for any predictor .
We consider learning an over-parametrized two-layer neural network of the form
Throughout this paper we assume that the activation is second-order smooth in the following sense.
An example is the cubic ReLU . The reason for requiring to be higher-order smooth (and thus excluding ReLU) will be made clear in the subsequent textWe note that the only restrictive requirement in Assumption A is the Lipschitzness of , which guarantees second-order smoothness of the objectives. The bounds on derivatives (and specifically their bound near zero) are merely for technical convenience and can be weakened without hurting the results..
1 Notation
Escaping NTK via randomization
To motivate our study, we now briefly review the NTK theory for over-parametrized neural nets and provide insights on how to go beyond the NTK regime.
Let denote the weights in a two-layer neural network at initialization and denote its movement from (so that the current weight matrix is .) The observation in NTK theory, or the theory of lazy training (Chizat and Bach, 2018b), is that for small the neural network can be Taylor expanded as
so that the network can be decomposed as the sum of the initial network , the linearized model , and higher order terms. Specifically (ignoring for the moment), when is large and , we expect and higher order terms to be , which is indeed the regime when we train via gradient descent. Therefore, the trajectory of training is coupled with the trajectory of training , which is a convex problem and enjoys convergence guarantees (Du et al., 2018b).
Our goal is to find subsets of so that the dominating term is not but something else in the higher order part. The above expansion makes clear that this cannot be achieved through simple fixes such as tuning the leading scale or the learning rate — the domination of appears to hold so long as the movements are small.
then the second-order Taylor expansion of can be written as
where we have defined in addition the quadratic part . Due to the existence of , each original weight now has an additional a scalar that is different in and . Specifically, if we choose
More precisely, when , the scalings of and compare as follows:
so we expect over a random draw of .
Therefore, at the random weight matrix , dominates and thus the network is coupled with its quadratic part rather than the linear NTK.
1 Learning randomized neural nets
The randomization technique leads to the following recipe for learning : train so that and has in expectation low loss. We make this precise by formulating the problem as minimizing a randomized neural net risk.
where we have reparametrized the weight matrix into so that learning starts at .
Following our randomization recipe, we now formulate our problem as minimizing the expected risk
Our regularizer penalizes , i.e. the distance from initialization, similar as in (Hu et al., 2019).Our specific choice of norm is needed for measuring the average magnitude of , whereas the high (8-th) power is not essential and can be replaced by any -th power without affecting the result.
We initialize the parameters randomly in the following way: set
Above, we set half of the ’s as and half as , and the weights are i.i.d. in the half and copied exactly into the half. Such an initialization is almost equivalent to i.i.d. random , but has the additional benefit that and also leads to simple expressivity arguments. Our initialization scale is chosen so that for a random draw of , we have , which is on average Our choice covers two commonly used scales in neural net analyses: , in e.g. (Arora et al., 2019b; Allen-Zhu et al., 2018a); , in e.g. (Ghorbani et al., 2019b).. For technical convenience, we also assume henceforth that the realized satisfies the bound
This happens with probability at least under random initialization (see proof in Appendix A.3), and ensures that simultaneously for all .
Optimization
In this section, we show that enjoys a nice optimization landscape.
As the randomized loss induces coupling of the neural net with the quadratic model , we expect its behavior to resemble the behavior of gradient descent on the following clean risk:
We now show that the clean risk , albeit non-convex, possesses a nice optimization landscape.
This result implies that, for in a certain ball and large , every point of higher loss than will have either a first-order or a second-order descent direction. In other words, every approximate second-order stationary point of is also an approximate global minimum. Our proof utilizes the fact that is similar to the loss function in matrix sensing / learning quadratic neural networks, and builds on recent understandings that the landscapes of these problems are often nice (Soltanolkotabi et al., 2018; Du and Lee, 2018; Allen-Zhu et al., 2018a). The proof is deferred to Appendix B.1.
2 Nice landscape of randomized neural net risk
Suppose there exists such that , and that
for some fixed and , then for all , we have
As an immediate corollary, we have a similar characterization of the regularized loss .
For any , under the conditions of Theorem 2, we have for all and all that
Theorem 2 follows directly from Lemma 1 through the coupling between and (as well as their gradients and Hessians). Corollary 3 then follows by controlling in addition the effect of the regularizer. The full proof of Theorem 2 and Corollary 3 are deferred to Appendices B.4 and B.5.
We now present our main optimization result, which follows directly from Corollary 3.
Suppose there exists such that
for some . For any and , we can choose suitably and such that the regularized loss satisfies the following: any second order stationary point has low loss and bounded norm:
Proof sketch. The proof of Theorem 4 consists of two stages: first “localize” any second-order stationary point into a (potentially very big) norm ball using the regularizer, then use Corollary 3 in this ball to further deduce that is low and . The full proof is deferred to Appendix B.6.
Generalization and Expressivity
We now shift attention to studying the generalization and expressivity of the (randomized) neural net learned in Theorem 4.
As is always coupled (through randomization) with the quadratic model , we begin by studying the generalization of the quadratic model.
where are Rademacher variables.
Lemma 5 suggests a possibility for the quadratic model to generalize better than the NTK model: the Rademacher complexity of depends on the “feature maps” through their matrix operator norm. Compared with the (naive) Frobenius norm based generalization bounds, the operator norm is never worse and can be better when additional structure on is present. The proof of Lemma 5 is deferred to Appendix C.1.
We now state our main generalization bound on the (randomized) neural net loss , which concretizes the above insight.
For any data-dependent such that , we have
The generalization bound in Theorem 6 features two desirable properties:
For large (e.g. ), the bound scales at most logarithmically with the width , therefore allowing learning with small samples and extreme over-parametrization;
Theorem 6 follows directly from Lemma 5 and a matrix concentration Lemma. The proof is deferred to Appendix C.2.
2 Expressivity and Sample Complexity through Quadratic Models
In order to concretize our generalization result, we now study the expressive power of quadratic models through the concrete example of learning functions of the form , i.e. sum of “one-directional” polynomials (for consistency and comparability with (Arora et al., 2019b).)
The proof of Theorem 7 is based on a reduction from expressing degree polynomials using quadratic models to expressing degree polynomials using random feature models. The proof can be found in Appendix C.4.
We now illustrate our results in Theorem 6 and 7 in three concrete examples, in which we compare the sample complexity bounds of the randomized (quadratic) network and the linear NTK when is sufficiently large.
Learning a single polynomial. Suppose satisfies , and we wish to find with test loss. By Theorem 7 we can choose such that , and by Theorem 4 we can find such that and . Take , and assume is sufficiently isotropic so that , the sample complexity from Theorem 6 is
In contrast, the sample complexity for linear NTK (Arora et al., 2019b; Cao and Gu, 2019a) to reach test loss is
We have , a reduction by a dimension factor unless . We note that the above comparison is simply comparing upper bounds, since in general the lower bound on the sample complexity of linear NTK is unknown.
Learning a noisy -XOR. Wei et al. (2019) established a sample complexity lower bound of linear NTK of to achieve constant generalization error on the noisy -XOR problem, which allows for a rigorous comparison against the quadratic model.
The ground truth function in -XOR is , where , and attains constant margin on the training distribution constructed in Wei et al. (2019). By Theorem 7, can be -approximated by with . Thus by Theorem 6 the sample complexity for learning noisy -XOR through the randomized net is
This is better than the sample complexity lower bound of linear NTK and thus provably better.
through the randomized net is
This compares favorably against the sample complexity upper bound for linear NTK, which needs
Higher-order NTKs
In this section, we demonstrate that our idea of randomization for changing the dynamics of learning neural networks can be generalized systematically — through randomization we are able to obtain over-parametrized neural networks in which the -th order term dominates the Taylor series. Consider a two-layer neural network with neurons and symmetric initialization (cf. (3))
where we have defined the -th order NTK
Note that due to the symmetric initialization, and is the standard NTK. For an arbitrary such that , we expect that is the dominating term in the expansion.
We now describe an approach to finding so that
that is, the neural net is approximately the -th order NTK plus an error term that goes to zero as , thereby “escaping” the NTK regime. Our approach builds on the following randomization technique: let , be two random variables (distributions) such that
Set , and take , we have
Therefore, with high probability, all as well as the remainder term has order , and the -th order NTK can express an function.
We establish the generalization of expressivity of in Appendix D, which systematically extends our results on the quadratic model. We show that the sample complexity for learning degree polynomials through compared with linear NTK can be better by a factor of for large , when mild distributional assumptions on such as approximate isotropy (constant condition number of the moment tensor) is present.
Conclusion
In this paper we proposed and studied the optimization and generalization of over-parametrized neural networks through coupling with higher-order terms in their Taylor series. Through coupling with the quadratic model, we showed that the randomized two-layer neural net has a nice optimization landscape (every second-order stationary point has low loss) and is thus amenable to efficient minimization through escape-saddle style algorithms. These networks enjoy the same expressivity and generalization guarantees as linearized models but in addition can generalize better by a dimension factor when distributional assumptions are present. We extended the idea of randomization to show the existence of neural networks whose Taylor series is dominated by the -th order term.
We believe our work brings in a number of open questions, such as how to better utilize the expressivity of quadratic models, or whether the study of higher-order expansions can lead to a more satisfying theory for explaining the success of full training. We also note that the Taylor series is only one avenue to obtaining accurate approximations of nonlinear neural networks. It would be of interest to design other approximation schemes for neural networks that are coupled with the network in larger regions of the parameter space.
Acknowledgment
The authors would like to thank Wei Hu, Tengyu Ma, Song Mei, and Andrea Montanari for their insightful comments. JDL acknowledges support of the ARO under MURI Award W911NF-11-1-0303, the Sloan Research Fellowship, and NSF CCF #1900145. The majority of this work was done while YB was at Stanford University. The authors also thank the Simons Institute Summer 2019 program on the Foundations of Deep Learning, and the Institute of Advanced Studies Special Year on Optimization, Statistics, and Theoretical Machine Learning for hosting the authors.
References
Appendix A Technical tools
Suppose are fixed symmetric matrices, and are Rademacher variables. Letting
Applying the high-probability bound in (Tropp et al., 2015, Theorem 4.6.1) and the union bound, we get
Let , we have by integrating the above bound over that
A.2 Expressing polynomials with random features
and the infimum over is attainable whenever it is finite.
For the ReLU random feature kernel , let and denote a bivariate normal distribution with marginals and correlation . We have that
where the constants satisfy
we have . With this feature map, the function can be represented as
Thus by the feature map equivalence (11), we have and
Now apply the feature map equivalence (11) again with the random feature map
A.3 Proof of Equation (4)
Setting ensures that the above probability does not exceed as desired. ∎
Appendix B Proofs for Section 4
Computing the gradient of , we obtain
where the last step used Cauchy-Schwarz on and .
Term I does not involve and can be deterministically bounded as
B.2 Coupling lemmas
for all .
(almost surely for all .)
Above, (i) follows from the assumption that , (ii) is Cauchy-Schwarz, (iii) uses the bound (4), and (iv) uses the power mean inequality on .
We have by the Lipschitzness of that
where again (i) uses the power mean inequality on .
B.3 Closeness of landscapes
Differentiating and and taking the inner product with , we get
Therefore, by expanding and noticing that , we have
where (i) uses Cauchy-Schwarz and (ii) uses the bounds in Lemma 10 and 11. For term III we first note by the smoothness of that
Substituting this bound into term III yields
Putting together the bounds for term I, II, III gives the desired result. ∎
Differentiating and twice on the direction , we get
We first bound the terms and . We have
Using similar arguments on gives the bound
We now shift attention to bounding . First note that
Then we have, by applying the bounds in Lemma 10 and 11,
Combining all the bounds gives the desired result. ∎
B.4 Proof of Theorem 2
We apply Lemma 12, 13, and 14 to connect the neural net loss to the “clean risk” . First, by Lemma 12, we have for all the assumed that
Therefore we have so long as
provided that the error term in Lemma 1 is bounded by , which happens when
Finally, we choose sufficiently large so that
which combined with (14) yields the desired result. By Lemma 13 and 14, it suffices to choose such that, to satisfy the closeness of directional gradients,
and to satisfy the closeness of Hessian quadratic forms,
Collecting the requirements on in (13), (15), (16), (17) and merging terms using and , the desired result holds whenever
B.5 Proof of Corollary 3
Recall that . By differentiating we get
where (i) used Cauchy-Schwarz and (ii) used the AM-GM inequality for all and . Substituting the above expressions into yields
Choosing gives the desired result. ∎
B.6 Proof of Theorem 4
We begin by choosing the regularization strength as
where is a constant to be determined. Let be an accuracy parameter also to be determined.
Now, applying the coupling Lemma 13, and combining with the fact that , we have simultaneously for all that
Therefore we see that any stationary point has to satisfy
By Corollary 3, choosing , the coupling error is bounded by in , i.e. for all we have that
we get that , and thus the bound (18) reads
For the second-order stationary point , the gradient term vanishes and the Hessian term is non-negative, so we get
for any . This is the desired result. ∎
Appendix C Proofs for Section 5
where the last step used the power mean (or Cauchy-Schwarz) inequality on . ∎
C.2 Proof of Theorem 6
We first relate the generalization of to that of through
By Lemma 12, we have simultaneously for all that
These bounds hold for all so apply to . Therefore it remains to bound , i.e. the generalization of the quadratic model.
By symmetrization and applying Lemma 5, we have
We now focus on bounding the expected max operator norm above. First, we apply the matrix concentration Lemma 8 to deduce that
As and for all , by standard expected max bound on sub-exponential variables we have
and substituting the above bound into (21) yields that
Combining the bound with the coupling error (19) and (20), we arrive at the desired result.
For we have two versions of bounds:
We always have , and thus .
and that , then we have . Applying (Vershynin, 2018, Theorem 4.7.1), we get whenever .
C.3 Expressive power of infinitely wide quadratic models
Our proof builds on reducing the problem from representing via quadratic networks to representing through a random feature model. More precisely, we consider choosing
where is a real-valued random scalar that can depend on , and is the fixed coefficient vector in . With this choice, the quadratic network reduces to
Therefore, to let the above express , it suffices to choose such that
for all . By Lemma 9, there exists satisfying (23) and such that
Using this in (22), the quadratic network induced by has the desired expressivity, and further satisfies the expected 4th power norm bound
C.4 Proof of Theorem 7
We begin by stating and proving the result for in Appendix C.4.1, i.e. when is a single “one-directional” polynomial. The main theorem then follows as a straightforward extension of the case, which we prove in Appendix C.4.2.
where we recall . We then have
As , Lemma 15 guarantees that the coefficient involved above satisfies that
By Markov inequality, we have with probability at least that
Let . We now show the concentration of to over the dataset . We perform a truncation argument: let be a large radius (to be chosen) satisfying
Applying Chebyshev inequality and a union bound, we get
For any , by substituting in , we see that
Next, for any we have the bound
Combining (35) and (37), we see that with probability at least ,
To satisfy the requirements for and in (36) and (34), we first set (with sufficiently large log factor) to satisfy (36) by standard Gaussian norm concentration (cf. Appendix A.3), and by (34) it suffices to set as
C.4.2 Proof of main theorem
such that with probability at least we have
(Note we have slightly abused notation, so that now use a disjoint set of initial weights .) Concatenating all the and applying a union bound, we have the following: so long as the width
which by the 1-Lipschitzness of the loss implies that
Further, as is the concatenation of , we have the norm bound
Appendix D Existence, generalization, and expressivity of higher-order NTKs
Recall that for analytic we have the expansion
For an arbitrary such that , we expect that is the dominating term in the expansion.
We now describe an approach to finding so that
that is, the neural net is approximately the -th order NTK plus an error term that goes to zero as , thereby “escaping” the NTK regime. Our approach builds on the following randomization technique: let , be two random variables (distributions) such that
Set , and take , we have
Therefore, with high probability, all as well as the remainder term has order , and the -th order NTK can express an function.
We now turn to studying the generalization and expressivity of the -th order NTK , Throughout this subsection, we assume (for convenience) that
As we have seen in Section 6, we have by choosing , therefore we restrict attention on such ’s by considering the constraint set for some .
This subsection establishes the following results for the -th order NTK.
We bound the generalization of through the tensor operator norm of a certain -tensor involving the features (Lemma 17). Consequently, the generalization of the -th order NTK for , when the base distribution of is uniform on the sphere, scales as
(Theorem 19). Compared with the distribution-free bound , the leading term is better by a factor of . In particular, when , the generalization is better by a factor of than the distribution-free bound.
For the polynomial with (and is even or one), when is sufficiently large, there exists a expressing such that
(Theorem 20). Substituting into the generalization bound yields the following generalization error for learning :
In particular, the leading multiplicative factor is the same for all (including the linear NTK with ), but the sample complexity is lower by a factor of when . This shows systematically the benefit of higher-order NTKs when distributional assumptions are present.
The nuclear norm is defined as the dual norm of the operator norm:
Specifically, for any rank-one tensor , we have
i.e. its nuclear norm equals its operator norm (and also the Frobenius norm).
D.2.1 Generalization
We begin by stating a generalization bound for , which depends on the operator norm of a -th order tensor feature, generalizing Lemma 5.
where are Rademacher variables.
where the last step used the power mean (or Cauchy-Schwarz) inequality on . ∎∎
It is straightforward to see that the expected tensor operator norm can be bounded as
Substituting the above bound into Lemma 17 directly leads to the following generalization bound for :
The proof of Lemma 18 is deferred to Appendix D.3.
D.2.2 Expressivity
The proof of Theorem 20 is deferred to Appendix D.4.
D.3 Proof of Lemma 18
We now perform a truncation argument to upper bound the above probability. Let be a truncation level to be determined, we have by the Bernstein inequality that
where the comes from computing the variance of
using that are uniform on the sphere (see, e.g. (Ghorbani et al., 2019b, Proof of Lemma 4)); is the bound on the variable , and the comes from the fact that with high probability. Now, choosing
It remains to bound to give an expectation bound on the desired tensor operator norm. This follows by adding up the following three bounds:
For the main branch “” we have
This follows by integrating the “1” branch for (which yields the right hand side) and integrating the other branch otherwise (the integral being upper bounded by , dominated by the right hand side).
The branch “” is taken only when
On the other hand, the inequality happens when
which is implied by the preceding condition so long as . Therefore, when this branch is taken, the can already be absorbed into the main term, so the contribution of this branch can be bounded as
Putting together the above three bounds, we obtain
D.4 Proof of Theorem 20
Our proof is analogous to that of Theorem 16, in which we first look at the case of infinitely many neurons and then use concentration to carry the result onto finitely many neurons.
We first consider expressing with infinite-neuron version of , that is, we wish to find random variables such that
for some real-valued random scalar (that depends on ), we have
Using this , the -th order NTK defined by expresses and further satisfies the bound
where we recall . We then have
As , (32) guarantees that the coefficient involved above satisfies that
By Markov inequality, we have with probability at least that
Let . We now show the concentration of to over the dataset . We perform a truncation argument: let be a large radius (to be chosen) satisfying
Applying Chebyshev inequality and a union bound, we get
For any , by substituting in , we see that
Next, for any we have the bound
Combining (35) and (37), we see that with probability at least ,
To satisfy the requirements for and in (36) and (34), we first set (with sufficiently large log factor) to satisfy (36) by standard Gaussian norm concentration (cf. Appendix A.3), and by (34) it suffices to set as