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For a certain scaling of the initialization of stochastic gradient descent (SGD), wide neural networks (NN) have been shown to be well approximated by reproducing kernel Hilbert space (RKHS) methods. Recent empirical work showed that, for some classification tasks, RKHS methods can replace NNs without a large loss in performance. On the other hand, two-layers NNs are known to encode richer smoothness classes than RKHS and we know of special examples for which SGD-trained NN provably outperform RKHS. This is true even in the wide network limit, for a different scaling of the initialization. How can we reconcile the above claims? For which tasks do NNs outperform RKHS? If feature vectors are nearly isotropic, RKHS methods suffer from the curse of dimensionality, while NNs can overcome it by learning the best low-dimensional representation. Here we show that this curse of dimensionality becomes milder if the feature vectors display the same low-dimensional structure as the target function, and we precisely characterize this tradeoff. Building on these results, we present a model that can capture in a unified framework both behaviors observed in earlier work. We hypothesize that such a latent low-dimensional structure is present in image classification. We test numerically this hypothesis by showing that specific perturbations of the training distribution degrade the performances of RKHS methods much more significantly than NNs.
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We study deep neural networks (DNNs) trained on natural image data with entirely random labels. Despite its popularity in the literature, where it is often used to study memorization, generalization, and other phenomena, little is known about what DNNs learn in this setting. In this paper, we show analytically for convolutional and fully connected networks that an alignment between the principal components of network parameters and data takes place when training with random labels. We study this alignment effect by investigating neural networks pre-trained on randomly labelled image data and subsequently fine-tuned on disjoint datasets with random or real labels. We show how this alignment produces a positive transfer: networks pre-trained with random labels train faster downstream compared to training from scratch even after accounting for simple effects, such as weight scaling. We analyze how competing effects, such as specialization at later layers, may hide the positive transfer. These effects are studied in several network architectures, including VGG16 and ResNet18, on CIFAR10 and ImageNet.
We present a novel neural network Maximum Mean Discrepancy (MMD) statistic by identifying a connection between neural tangent kernel (NTK) and MMD statistic. This connection enables us to develop a computationally efficient and memory-efficient approach to compute the MMD statistic and perform neural network based two-sample tests towards addressing the long-standing challenge of memory and computational complexity of the MMD statistic, which is essential for online implementation to assimilate new samples. Theoretically, such a connection allows us to understand the properties of the new test statistic, such as Type-I error and testing power for performing the two-sample test, by leveraging analysis tools for kernel MMD. Numerical experiments on synthetic and real-world datasets validate the theory and demonstrate the effectiveness of the proposed NTK-MMD statistic.
We propose a new point of view for regularizing deep neural networks by using the norm of a reproducing kernel Hilbert space (RKHS). Even though this norm cannot be computed, it admits upper and lower approximations leading to various practical strategies. Specifically, this perspective (i) provides a common umbrella for many existing regularization principles, including spectral norm and gradient penalties, or adversarial training, (ii) leads to new effective regularization penalties, and (iii) suggests hybrid strategies combining lower and upper bounds to get better approximations of the RKHS norm. We experimentally show this approach to be effective when learning on small datasets, or to obtain adversarially robust models.
We study the supervised learning problem under either of the following two models: (1) Feature vectors ${boldsymbol x}_i$ are $d$-dimensional Gaussians and responses are $y_i = f_*({boldsymbol x}_i)$ for $f_*$ an unknown quadratic function; (2) Feature vectors ${boldsymbol x}_i$ are distributed as a mixture of two $d$-dimensional centered Gaussians, and $y_i$s are the corresponding class labels. We use two-layers neural networks with quadratic activations, and compare three different learning regimes: the random features (RF) regime in which we only train the second-layer weights; the neural tangent (NT) regime in which we train a linearization of the neural network around its initialization; the fully trained neural network (NN) regime in which we train all the weights in the network. We prove that, even for the simple quadratic model of point (1), there is a potentially unbounded gap between the prediction risk achieved in these three training regimes, when the number of neurons is smaller than the ambient dimension. When the number of neurons is larger than the number of dimensions, the problem is significantly easier and both NT and NN learning achieve zero risk.
Substring kernels are classical tools for representing biological sequences or text. However, when large amounts of annotated data are available, models that allow end-to-end training such as neural networks are often preferred. Links between recurrent neural networks (RNNs) and substring kernels have recently been drawn, by formally showing that RNNs with specific activation functions were points in a reproducing kernel Hilbert space (RKHS). In this paper, we revisit this link by generalizing convolutional kernel networks---originally related to a relaxation of the mismatch kernel---to model gaps in sequences. It results in a new type of recurrent neural network which can be trained end-to-end with backpropagation, or without supervision by using kernel approximation techniques. We experimentally show that our approach is well suited to biological sequences, where it outperforms existing methods for protein classification tasks.
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