Asymptotics of Random Feature Regression Beyond the Linear Scaling Regime

Recent advances in machine learning have been achieved by using overparametrized models trained until near interpolation of the training data. It was shown, e.g., through the double descent phenomenon, that the number of parameters is a poor proxy for the model complexity and generalization capabilities. This leaves open the question of understanding the impact of parametrization on the performance of these models. How does model complexity and generalization depend on the number of parameters $p$? How should we choose $p$ relative to the sample size $n$ to achieve optimal test error? In this paper, we investigate the example of random feature ridge regression (RFRR). This model can be seen either as a finite-rank approximation to kernel ridge regression (KRR), or as a simplified model for neural networks trained in the so-called lazy regime. We consider covariates uniformly distributed on the $d$-dimensional sphere and compute sharp asymptotics for the RFRR test error in the high-dimensional polynomial scaling, where $p,n,d \to \infty$ while $p/ d^{\kappa_1}$ and $n / d^{\kappa_2}$ stay constant, for all $\kappa_1 , \kappa_2 \in \mathbb{R}_{>0}$. These asymptotics precisely characterize the impact of the number of random features and regularization parameter on the test performance. In particular, RFRR exhibits an intuitive trade-off between approximation and generalization power. For $n = o(p)$, the sample size $n$ is the bottleneck and RFRR achieves the same performance as KRR (which is equivalent to taking $p = \infty$). On the other hand, if $p = o(n)$, the number of random features $p$ is the limiting factor and RFRR test error matches the approximation error of the random feature model class (akin to taking $n = \infty$). Finally, a double descent appears at $n= p$, a phenomenon that was previously only characterized in the linear scaling $\kappa_1 = \kappa_2 = 1$.

A Convergence Analysis of Approximate Message Passing with Non-Separable Functions and Applications to Multi-Class Classification

Motivated by the recent application of approximate message passing (AMP) to the analysis of convex optimizations in multi-class classifications [Loureiro, et. al., 2021], we present a convergence analysis of AMP dynamics with non-separable multivariate nonlinearities. As an application, we present a complete (and independent) analysis of the motivated convex optimization problem.

Asymptotics of feature learning in two-layer networks after one gradient-step

In this manuscript we investigate the problem of how two-layer neural networks learn features from data, and improve over the kernel regime, after being trained with a single gradient descent step. Leveraging a connection from (Ba et al., 2022) with a non-linear spiked matrix model and recent progress on Gaussian universality (Dandi et al., 2023), we provide an exact asymptotic description of the generalization error in the high-dimensional limit where the number of samples $n$, the width $p$ and the input dimension $d$ grow at a proportional rate. We characterize exactly how adapting to the data is crucial for the network to efficiently learn non-linear functions in the direction of the gradient -- where at initialization it can only express linear functions in this regime. To our knowledge, our results provides the first tight description of the impact of feature learning in the generalization of two-layer neural networks in the large learning rate regime $\eta=\Theta_{d}(d)$, beyond perturbative finite width corrections of the conjugate and neural tangent kernels.

Universality for the global spectrum of random inner-product kernel matrices in the polynomial regime

We consider certain large random matrices, called random inner-product kernel matrices, which are essentially given by a nonlinear function $f$ applied entrywise to a sample-covariance matrix, $f(X^TX)$, where $X \in \mathbb{R}^{d \times N}$ is random and normalized in such a way that $f$ typically has order-one arguments. We work in the polynomial regime, where $N \asymp d^\ell$ for some $\ell > 0$, not just the linear regime where $\ell = 1$. Earlier work by various authors showed that, when the columns of $X$ are either uniform on the sphere or standard Gaussian vectors, and when $\ell$ is an integer (the linear regime $\ell = 1$ is particularly well-studied), the bulk eigenvalues of such matrices behave in a simple way: They are asymptotically given by the free convolution of the semicircular and Mar\v{c}enko-Pastur distributions, with relative weights given by expanding $f$ in the Hermite basis. In this paper, we show that this phenomenon is universal, holding as soon as $X$ has i.i.d. entries with all finite moments. In the case of non-integer $\ell$, the Mar\v{c}enko-Pastur term disappears (its weight in the free convolution vanishes), and the spectrum is just semicircular.

Sharp Asymptotics of Kernel Ridge Regression Beyond the Linear Regime

The generalization performance of kernel ridge regression (KRR) exhibits a multi-phased pattern that crucially depends on the scaling relationship between the sample size $n$ and the underlying dimension $d$. This phenomenon is due to the fact that KRR sequentially learns functions of increasing complexity as the sample size increases; when $d^{k-1}\ll n\ll d^{k}$, only polynomials with degree less than $k$ are learned. In this paper, we present sharp asymptotic characterization of the performance of KRR at the critical transition regions with $n \asymp d^k$, for $k\in\mathbb{Z}^{+}$. Our asymptotic characterization provides a precise picture of the whole learning process and clarifies the impact of various parameters (including the choice of the kernel function) on the generalization performance. In particular, we show that the learning curves of KRR can have a delicate "double descent" behavior due to specific bias-variance trade-offs at different polynomial scaling regimes.

An Equivalence Principle for the Spectrum of Random Inner-Product Kernel Matrices

We consider random matrices whose entries are obtained by applying a (nonlinear) kernel function to the pairwise inner products between $n$ independent data vectors drawn uniformly from the unit sphere in $\mathbb{R}^d$. Our study of this model is motivated by problems in machine learning, statistics, and signal processing, where such inner-product kernel random matrices and their spectral properties play important roles. Under mild conditions on the kernel function, we establish the weak-limit of the empirical spectral distribution of these matrices when $d, n \to \infty$ such that $n / d^\ell \to \kappa \in (0, \infty)$, for some fixed $\ell \in \mathbb{N}$ and $\kappa \in \mathbb{R}$. This generalizes an earlier result of Cheng and Singer (2013), who studied the same model in the linear scaling regime (with $\ell = 1$ and $n/d \to \kappa$). The main insight of our work is a general equivalence principle: the spectrum of the random kernel matrix is asymptotically equivalent to that of a simpler matrix model, constructed as the linear combination of a (shifted) Wishart matrix and an independent matrix drawn from the Gaussian orthogonal ensemble. The aspect ratio of the Wishart matrix and the coefficients of the linear combination are determined by $\ell$ and by the expansion of the kernel function in the orthogonal Hermite polynomial basis. Consequently, the limiting spectrum of the random kernel matrix can be characterized as the free additive convolution between a Marchenko-Pastur law and a semicircle law.

Analysis of Random Sequential Message Passing Algorithms for Approximate Inference

We analyze the dynamics of a random sequential message passing algorithm for approximate inference with large Gaussian latent variable models in a student-teacher scenario. To model nontrivial dependencies between the latent variables, we assume random covariance matrices drawn from rotation invariant ensembles. Moreover, we consider a model mismatching setting, where the teacher model and the one used by the student may be different. By means of dynamical functional approach, we obtain exact dynamical mean-field equations characterizing the dynamics of the inference algorithm. We also derive a range of model parameters for which the sequential algorithm does not converge. The boundary of this parameter range coincides with the de Almeida Thouless (AT) stability condition of the replica symmetric ansatz for the static probabilistic model.

On the Inherent Regularization Effects of Noise Injection During Training

Randomly perturbing networks during the training process is a commonly used approach to improving generalization performance. In this paper, we present a theoretical study of one particular way of random perturbation, which corresponds to injecting artificial noise to the training data. We provide a precise asymptotic characterization of the training and generalization errors of such randomly perturbed learning problems on a random feature model. Our analysis shows that Gaussian noise injection in the training process is equivalent to introducing a weighted ridge regularization, when the number of noise injections tends to infinity. The explicit form of the regularization is also given. Numerical results corroborate our asymptotic predictions, showing that they are accurate even in moderate problem dimensions. Our theoretical predictions are based on a new correlated Gaussian equivalence conjecture that generalizes recent results in the study of random feature models.

Householder Dice: A Matrix-Free Algorithm for Simulating Dynamics on Gaussian and Random Orthogonal Ensembles

This paper proposes a new algorithm, named Householder Dice (HD), for simulating dynamics on dense random matrix ensembles with translation-invariant properties. Examples include the Gaussian ensemble, the Haar-distributed random orthogonal ensemble, and their complex-valued counterparts. A "direct" approach to the simulation, where one first generates a dense $n \times n$ matrix from the ensemble, requires at least $\mathcal{O}(n^2)$ resource in space and time. The HD algorithm overcomes this $\mathcal{O}(n^2)$ bottleneck by using the principle of deferred decisions: rather than fixing the entire random matrix in advance, it lets the randomness unfold with the dynamics. At the heart of this matrix-free algorithm is an adaptive and recursive construction of (random) Householder reflectors. These orthogonal transformations exploit the group symmetry of the matrix ensembles, while simultaneously maintaining the statistical correlations induced by the dynamics. The memory and computation costs of the HD algorithm are $\mathcal{O}(nT)$ and $\mathcal{O}(nT^2)$, respectively, with $T$ being the number of iterations. When $T \ll n$, which is nearly always the case in practice, the new algorithm leads to significant reductions in runtime and memory footprint. Numerical results demonstrate the promise of the HD algorithm as a new computational tool in the study of high-dimensional random systems.