Nonparametric regression using over-parameterized shallow ReLU neural networks

It is shown that over-parameterized neural networks can achieve minimax optimal rates of convergence (up to logarithmic factors) for learning functions from certain smooth function classes, if the weights are suitably constrained or regularized. Specifically, we consider the nonparametric regression of estimating an unknown $d$-variate function by using shallow ReLU neural networks. It is assumed that the regression function is from the H\"older space with smoothness $\alpha<(d+3)/2$ or a variation space corresponding to shallow neural networks, which can be viewed as an infinitely wide neural network. In this setting, we prove that least squares estimators based on shallow neural networks with certain norm constraints on the weights are minimax optimal, if the network width is sufficiently large. As a byproduct, we derive a new size-independent bound for the local Rademacher complexity of shallow ReLU neural networks, which may be of independent interest.

Optimal Estimates for Pairwise Learning with Deep ReLU Networks

Pairwise learning refers to learning tasks where a loss takes a pair of samples into consideration. In this paper, we study pairwise learning with deep ReLU networks and estimate the excess generalization error. For a general loss satisfying some mild conditions, a sharp bound for the estimation error of order $O((V\log(n) /n)^{1/(2-\beta)})$ is established. In particular, with the pairwise least squares loss, we derive a nearly optimal bound of the excess generalization error which achieves the minimax lower bound up to a logrithmic term when the true predictor satisfies some smoothness regularities.

Generalization Guarantees of Gradient Descent for Multi-Layer Neural Networks

Recently, significant progress has been made in understanding the generalization of neural networks (NNs) trained by gradient descent (GD) using the algorithmic stability approach. However, most of the existing research has focused on one-hidden-layer NNs and has not addressed the impact of different network scaling parameters. In this paper, we greatly extend the previous work \cite{lei2022stability,richards2021stability} by conducting a comprehensive stability and generalization analysis of GD for multi-layer NNs. For two-layer NNs, our results are established under general network scaling parameters, relaxing previous conditions. In the case of three-layer NNs, our technical contribution lies in demonstrating its nearly co-coercive property by utilizing a novel induction strategy that thoroughly explores the effects of over-parameterization. As a direct application of our general findings, we derive the excess risk rate of $O(1/\sqrt{n})$ for GD algorithms in both two-layer and three-layer NNs. This sheds light on sufficient or necessary conditions for under-parameterized and over-parameterized NNs trained by GD to attain the desired risk rate of $O(1/\sqrt{n})$. Moreover, we demonstrate that as the scaling parameter increases or the network complexity decreases, less over-parameterization is required for GD to achieve the desired error rates. Additionally, under a low-noise condition, we obtain a fast risk rate of $O(1/n)$ for GD in both two-layer and three-layer NNs.

Distributed Gradient Descent for Functional Learning

In recent years, different types of distributed learning schemes have received increasing attention for their strong advantages in handling large-scale data information. In the information era, to face the big data challenges which stem from functional data analysis very recently, we propose a novel distributed gradient descent functional learning (DGDFL) algorithm to tackle functional data across numerous local machines (processors) in the framework of reproducing kernel Hilbert space. Based on integral operator approaches, we provide the first theoretical understanding of the DGDFL algorithm in many different aspects in the literature. On the way of understanding DGDFL, firstly, a data-based gradient descent functional learning (GDFL) algorithm associated with a single-machine model is proposed and comprehensively studied. Under mild conditions, confidence-based optimal learning rates of DGDFL are obtained without the saturation boundary on the regularity index suffered in previous works in functional regression. We further provide a semi-supervised DGDFL approach to weaken the restriction on the maximal number of local machines to ensure optimal rates. To our best knowledge, the DGDFL provides the first distributed iterative training approach to functional learning and enriches the stage of functional data analysis.

Approximation of Nonlinear Functionals Using Deep ReLU Networks

In recent years, functional neural networks have been proposed and studied in order to approximate nonlinear continuous functionals defined on $L^p([-1, 1]^s)$ for integers $s\ge1$ and $1\le p<\infty$. However, their theoretical properties are largely unknown beyond universality of approximation or the existing analysis does not apply to the rectified linear unit (ReLU) activation function. To fill in this void, we investigate here the approximation power of functional deep neural networks associated with the ReLU activation function by constructing a continuous piecewise linear interpolation under a simple triangulation. In addition, we establish rates of approximation of the proposed functional deep ReLU networks under mild regularity conditions. Finally, our study may also shed some light on the understanding of functional data learning algorithms.

Optimal rates of approximation by shallow ReLU$^k$ neural networks and applications to nonparametric regression

We study the approximation capacity of some variation spaces corresponding to shallow ReLU$^k$ neural networks. It is shown that sufficiently smooth functions are contained in these spaces with finite variation norms. For functions with less smoothness, the approximation rates in terms of the variation norm are established. Using these results, we are able to prove the optimal approximation rates in terms of the number of neurons for shallow ReLU$^k$ neural networks. It is also shown how these results can be used to derive approximation bounds for deep neural networks and convolutional neural networks (CNNs). As applications, we study convergence rates for nonparametric regression using three ReLU neural network models: shallow neural network, over-parameterized neural network, and CNN. In particular, we show that shallow neural networks can achieve the minimax optimal rates for learning H\"older functions, which complements recent results for deep neural networks. It is also proven that over-parameterized (deep or shallow) neural networks can achieve nearly optimal rates for nonparametric regression.

Sketching with Spherical Designs for Noisy Data Fitting on Spheres

This paper proposes a sketching strategy based on spherical designs, which is applied to the classical spherical basis function approach for massive spherical data fitting. We conduct theoretical analysis and numerical verifications to demonstrate the feasibility of the proposed { sketching} strategy. From the theoretical side, we prove that sketching based on spherical designs can reduce the computational burden of the spherical basis function approach without sacrificing its approximation capability. In particular, we provide upper and lower bounds for the proposed { sketching} strategy to fit noisy data on spheres. From the experimental side, we numerically illustrate the feasibility of the sketching strategy by showing its comparable fitting performance with the spherical basis function approach. These interesting findings show that the proposed sketching strategy is capable of fitting massive and noisy data on spheres.

Generalization Analysis for Contrastive Representation Learning

Recently, contrastive learning has found impressive success in advancing the state of the art in solving various machine learning tasks. However, the existing generalization analysis is very limited or even not meaningful. In particular, the existing generalization error bounds depend linearly on the number $k$ of negative examples while it was widely shown in practice that choosing a large $k$ is necessary to guarantee good generalization of contrastive learning in downstream tasks. In this paper, we establish novel generalization bounds for contrastive learning which do not depend on $k$, up to logarithmic terms. Our analysis uses structural results on empirical covering numbers and Rademacher complexities to exploit the Lipschitz continuity of loss functions. For self-bounding Lipschitz loss functions, we further improve our results by developing optimistic bounds which imply fast rates in a low noise condition. We apply our results to learning with both linear representation and nonlinear representation by deep neural networks, for both of which we derive Rademacher complexity bounds to get improved generalization bounds.

A new activation for neural networks and its approximation

Deep learning with deep neural networks (DNNs) has attracted tremendous attention from various fields of science and technology recently. Activation functions for a DNN define the output of a neuron given an input or set of inputs. They are essential and inevitable in learning non-linear transformations and performing diverse computations among successive neuron layers. Thus, the design of activation functions is still an important topic in deep learning research. Meanwhile, theoretical studies on the approximation ability of DNNs with activation functions have been investigated within the last few years. In this paper, we propose a new activation function, named as "DLU", and investigate its approximation ability for functions with various smoothness and structures. Our theoretical results show that DLU networks can process competitive approximation performance with rational and ReLU networks, and have some advantages. Numerical experiments are conducted comparing DLU with the existing activations-ReLU, Leaky ReLU, and ELU, which illustrate the good practical performance of DLU.