Maximal Initial Learning Rates in Deep ReLU Networks

Training a neural network requires choosing a suitable learning rate, involving a trade-off between speed and effectiveness of convergence. While there has been considerable theoretical and empirical analysis of how large the learning rate can be, most prior work focuses only on late-stage training. In this work, we introduce the maximal initial learning rate $\eta^{\ast}$ - the largest learning rate at which a randomly initialized neural network can successfully begin training and achieve (at least) a given threshold accuracy. Using a simple approach to estimate $\eta^{\ast}$, we observe that in constant-width fully-connected ReLU networks, $\eta^{\ast}$ demonstrates different behavior to the maximum learning rate later in training. Specifically, we find that $\eta^{\ast}$ is well predicted as a power of $(\text{depth} \times \text{width})$, provided that (i) the width of the network is sufficiently large compared to the depth, and (ii) the input layer of the network is trained at a relatively small learning rate. We further analyze the relationship between $\eta^{\ast}$ and the sharpness $\lambda_{1}$ of the network at initialization, indicating that they are closely though not inversely related. We formally prove bounds for $\lambda_{1}$ in terms of $(\text{depth} \times \text{width})$ that align with our empirical results.

Deep Architecture Connectivity Matters for Its Convergence: A Fine-Grained Analysis

Advanced deep neural networks (DNNs), designed by either human or AutoML algorithms, are growing increasingly complex. Diverse operations are connected by complicated connectivity patterns, e.g., various types of skip connections. Those topological compositions are empirically effective and observed to smooth the loss landscape and facilitate the gradient flow in general. However, it remains elusive to derive any principled understanding of their effects on the DNN capacity or trainability, and to understand why or in which aspect one specific connectivity pattern is better than another. In this work, we theoretically characterize the impact of connectivity patterns on the convergence of DNNs under gradient descent training in fine granularity. By analyzing a wide network's Neural Network Gaussian Process (NNGP), we are able to depict how the spectrum of an NNGP kernel propagates through a particular connectivity pattern, and how that affects the bound of convergence rates. As one practical implication of our results, we show that by a simple filtration on "unpromising" connectivity patterns, we can trim down the number of models to evaluate, and significantly accelerate the large-scale neural architecture search without any overhead. Codes will be released at https://github.com/chenwydj/architecture_convergence.

Correlation Functions in Random Fully Connected Neural Networks at Finite Width

This article considers fully connected neural networks with Gaussian random weights and biases and $L$ hidden layers, each of width proportional to a large parameter $n$. For polynomially bounded non-linearities we give sharp estimates in powers of $1/n$ for the joint correlation functions of the network output and its derivatives. Moreover, we obtain exact layerwise recursions for these correlation functions and solve a number of special cases for classes of non-linearities including $\mathrm{ReLU}$ and $\tanh$. We find in both cases that the depth-to-width ratio $L/n$ plays the role of an effective network depth, controlling both the scale of fluctuations at individual neurons and the size of inter-neuron correlations. We use this to study a somewhat simplified version of the so-called exploding and vanishing gradient problem, proving that this particular variant occurs if and only if $L/n$ is large. Several of the key ideas in this article were first developed at a physics level of rigor in a recent monograph with Roberts and Yaida.

Ridgeless Interpolation with Shallow ReLU Networks in $1D$ is Nearest Neighbor Curvature Extrapolation and Provably Generalizes on Lipschitz Functions

We prove a precise geometric description of all one layer ReLU networks $z(x;\theta)$ with a single linear unit and input/output dimensions equal to one that interpolate a given dataset $\mathcal D=\{(x_i,f(x_i))\}$ and, among all such interpolants, minimize the $\ell_2$-norm of the neuron weights. Such networks can intuitively be thought of as those that minimize the mean-squared error over $\mathcal D$ plus an infinitesimal weight decay penalty. We therefore refer to them as ridgeless ReLU interpolants. Our description proves that, to extrapolate values $z(x;\theta)$ for inputs $x\in (x_i,x_{i+1})$ lying between two consecutive datapoints, a ridgeless ReLU interpolant simply compares the signs of the discrete estimates for the curvature of $f$ at $x_i$ and $x_{i+1}$ derived from the dataset $\mathcal D$. If the curvature estimates at $x_i$ and $x_{i+1}$ have different signs, then $z(x;\theta)$ must be linear on $(x_i,x_{i+1})$. If in contrast the curvature estimates at $x_i$ and $x_{i+1}$ are both positive (resp. negative), then $z(x;\theta)$ is convex (resp. concave) on $(x_i,x_{i+1})$. Our results show that ridgeless ReLU interpolants achieve the best possible generalization for learning $1d$ Lipschitz functions, up to universal constants.

Random Neural Networks in the Infinite Width Limit as Gaussian Processes

This article gives a new proof that fully connected neural networks with random weights and biases converge to Gaussian processes in the regime where the input dimension, output dimension, and depth are kept fixed, while the hidden layer widths tend to infinity. Unlike prior work, convergence is shown assuming only moment conditions for the distribution of weights and for quite general non-linearities.

The Principles of Deep Learning Theory

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

Deep ReLU Networks Preserve Expected Length

Assessing the complexity of functions computed by a neural network helps us understand how the network will learn and generalize. One natural measure of complexity is how the network distorts length -- if the network takes a unit-length curve as input, what is the length of the resulting curve of outputs? It has been widely believed that this length grows exponentially in network depth. We prove that in fact this is not the case: the expected length distortion does not grow with depth, and indeed shrinks slightly, for ReLU networks with standard random initialization. We also generalize this result by proving upper bounds both for higher moments of the length distortion and for the distortion of higher-dimensional volumes. These theoretical results are corroborated by our experiments, which indicate that length distortion remains modest even after training.

Data augmentation as stochastic optimization

We present a theoretical framework recasting data augmentation as stochastic optimization for a sequence of time-varying proxy losses. This provides a unified approach to understanding techniques commonly thought of as data augmentation, including synthetic noise and label-preserving transformations, as well as more traditional ideas in stochastic optimization such as learning rate and batch size scheduling. We prove a time-varying Monro-Robbins theorem with rates of convergence which gives conditions on the learning rate and augmentation schedule under which augmented gradient descent converges. Special cases give provably good joint schedules for augmentation with additive noise, minibatch SGD, and minibatch SGD with noise.

Finite Depth and Width Corrections to the Neural Tangent Kernel

We prove the precise scaling, at finite depth and width, for the mean and variance of the neural tangent kernel (NTK) in a randomly initialized ReLU network. The standard deviation is exponential in the ratio of network depth to width. Thus, even in the limit of infinite overparameterization, the NTK is not deterministic if depth and width simultaneously tend to infinity. Moreover, we prove that for such deep and wide networks, the NTK has a non-trivial evolution during training by showing that the mean of its first SGD update is also exponential in the ratio of network depth to width. This is sharp contrast to the regime where depth is fixed and network width is very large. Our results suggest that, unlike relatively shallow and wide networks, deep and wide ReLU networks are capable of learning data-dependent features even in the so-called lazy training regime.

Deep ReLU Networks Have Surprisingly Few Activation Patterns

The success of deep networks has been attributed in part to their expressivity: per parameter, deep networks can approximate a richer class of functions than shallow networks. In ReLU networks, the number of activation patterns is one measure of expressivity; and the maximum number of patterns grows exponentially with the depth. However, recent work has showed that the practical expressivity of deep networks - the functions they can learn rather than express - is often far from the theoretical maximum. In this paper, we show that the average number of activation patterns for ReLU networks at initialization is bounded by the total number of neurons raised to the input dimension. We show empirically that this bound, which is independent of the depth, is tight both at initialization and during training, even on memorization tasks that should maximize the number of activation patterns. Our work suggests that realizing the full expressivity of deep networks may not be possible in practice, at least with current methods.