The power of neural networks lies in their ability to generalize to unseen data, yet the underlying reasons for this phenomenon remain elusive. Numerous rigorous attempts have been made to explain generalization, but available bounds are still quite loose, and analysis does not always lead to true understanding. The goal of this work is to make generalization more intuitive. Using visualization methods, we discuss the mystery of generalization, the geometry of loss landscapes, and how the curse (or, rather, the blessing) of dimensionality causes optimizers to settle into minima that generalize well.
To explain this mismatch between empirical observation and classical statistical learning theory, a number of recent works propose new metrics that characterize the capacity of neural networks. Most of these appeal to the PAC framework to characterize the generalization ability of a model class @math (a neural network with a certain architecture) through a high probability upper bound: with probability at least @math , where @math denotes generalization risk (true error) of a network with parameters @math , @math denotes empirical risk (training error) with training sample @math . We will explain @math under the following different metrics. This line of work takes @math to be proportional to the complexity of the model class being trained, and efforts have been put into finding tight characterizations of this complexity. @cite_19 and @cite_21 built on prior works (see @cite_15 and @cite_12 ) to produce bounds where model class complexity depends on the spectral norm of the weight matrices without having an exponential dependence on the depth of the network. Such bounds can improve the model class complexity provided that weight matrices adhere to some structural constraints (e.g. sparsity or eigenvalue concentration).
@cite_19 @cite_15 @cite_21 @cite_12
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Sample complexity results from computational learning theory, when applied to neural network learning for pattern classification problems, suggest that for good generalization performance the number of training examples should grow at least linearly with the number of adjustable parameters in the network. Results in this paper show that if a large neural network is used for a pattern classification problem and the learning algorithm finds a network with small weights that has small squared error on the training patterns, then the generalization performance depends on the size of the weights rather than the number of weights. For example, consider a two-layer feedforward network of sigmoid units, in which the sum of the magnitudes of the weights associated with each unit is bounded by A and the input dimension is n. We show that the misclassification probability is no more than a certain error estimate (that is related to squared error on the training set) plus A sup 3 spl radic ((log n) m) (ignoring log A and log m factors), where m is the number of training patterns. This may explain the generalization performance of neural networks, particularly when the number of training examples is considerably smaller than the number of weights. It also supports heuristics (such as weight decay and early stopping) that attempt to keep the weights small during training. The proof techniques appear to be useful for the analysis of other pattern classifiers: when the input domain is a totally bounded metric space, we use the same approach to give upper bounds on misclassification probability for classifiers with decision boundaries that are far from the training examples. Previous theoretical work on deep learning and neural network optimization tend to focus on avoiding saddle points and local minima. However, the practical observation is that, at least in the case of the most successful Deep Convolutional Neural Networks (DCNNs), practitioners can always increase the network size to fit the training data (an extreme example would be [1]). The most successful DCNNs such as VGG and ResNets are best used with a degree of "overparametrization". In this work, we characterize with a mix of theory and experiments, the landscape of the empirical risk of overparametrized DCNNs. We first prove in the regression framework the existence of a large number of degenerate global minimizers with zero empirical error (modulo inconsistent equations). The argument that relies on the use of Bezout theorem is rigorous when the RELUs are replaced by a polynomial nonlinearity (which empirically works as well). As described in our Theory III [2] paper, the same minimizers are degenerate and thus very likely to be found by SGD that will furthermore select with higher probability the most robust zero-minimizer. We further experimentally explored and visualized the landscape of empirical risk of a DCNN on CIFAR-10 during the entire training process and especially the global minima. Finally, based on our theoretical and experimental results, we propose an intuitive model of the landscape of DCNN's empirical loss surface, which might not be as complicated as people commonly believe. We perform an average case analysis of the generalization dynamics of large neural networks trained using gradient descent. We study the practically-relevant "high-dimensional" regime where the number of free parameters in the network is on the order of or even larger than the number of examples in the dataset. Using random matrix theory and exact solutions in linear models, we derive the generalization error and training error dynamics of learning and analyze how they depend on the dimensionality of data and signal to noise ratio of the learning problem. We find that the dynamics of gradient descent learning naturally protect against overtraining and overfitting in large networks. Overtraining is worst at intermediate network sizes, when the effective number of free parameters equals the number of samples, and thus can be reduced by making a network smaller or larger. Additionally, in the high-dimensional regime, low generalization error requires starting with small initial weights. We then turn to non-linear neural networks, and show that making networks very large does not harm their generalization performance. On the contrary, it can in fact reduce overtraining, even without early stopping or regularization of any sort. We identify two novel phenomena underlying this behavior in overcomplete models: first, there is a frozen subspace of the weights in which no learning occurs under gradient descent; and second, the statistical properties of the high-dimensional regime yield better-conditioned input correlations which protect against overtraining. We demonstrate that naive application of worst-case theories such as Rademacher complexity are inaccurate in predicting the generalization performance of deep neural networks, and derive an alternative bound which incorporates the frozen subspace and conditioning effects and qualitatively matches the behavior observed in simulation. Multi-layer neural networks have lead to remarkable performance on many kinds of benchmark tasks in text, speech and image processing. Nonlinear parameter estimation in hierarchical models is known to be subject to overfitting and misspecification. One approach to these estimation and related problems (local minima, colinearity, feature discovery etc.) is called Dropout (Hinton, et al 2012, 2016). The Dropout algorithm removes hidden units according to a Bernoulli random variable with probability @math prior to each update, creating random "shocks" to the network that are averaged over updates. In this paper we will show that Dropout is a special case of a more general model published originally in 1990 called the Stochastic Delta Rule, or SDR (Hanson, 1990). SDR redefines each weight in the network as a random variable with mean @math and standard deviation @math . Each weight random variable is sampled on each forward activation, consequently creating an exponential number of potential networks with shared weights. Both parameters are updated according to prediction error, thus resulting in weight noise injections that reflect a local history of prediction error and local model averaging. SDR therefore implements a more sensitive local gradient-dependent simulated annealing per weight converging in the limit to a Bayes optimal network. Tests on standard benchmarks (CIFAR) using a modified version of DenseNet shows the SDR outperforms standard Dropout in test error by approx. @math with DenseNet-BC 250 on CIFAR-100 and approx. @math in smaller networks. We also show that SDR reaches the same accuracy that Dropout attains in 100 epochs in as few as 35 epochs.