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Finite Versus Infinite Neural Networks: an Empirical Study

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 Added by Jaehoon Lee
 Publication date 2020
and research's language is English




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We perform a careful, thorough, and large scale empirical study of the correspondence between wide neural networks and kernel methods. By doing so, we resolve a variety of open questions related to the study of infinitely wide neural networks. Our experimental results include: kernel methods outperform fully-connected finite-width networks, but underperform convolutional finite width networks; neural network Gaussian process (NNGP) kernels frequently outperform neural tangent (NT) kernels; centered and ensembled finite networks have reduced posterior variance and behave more similarly to infinite networks; weight decay and the use of a large learning rate break the correspondence between finite and infinite networks; the NTK parameterization outperforms the standard parameterization for finite width networks; diagonal regularization of kernels acts similarly to early stopping; floating point precision limits kernel performance beyond a critical dataset size; regularized ZCA whitening improves accuracy; finite network performance depends non-monotonically on width in ways not captured by double descent phenomena; equivariance of CNNs is only beneficial for narrow networks far from the kernel regime. Our experiments additionally motivate an improved layer-wise scaling for weight decay which improves generalization in finite-width networks. Finally, we develop improved best practices for using NNGP and NT kernels for prediction, including a novel ensembling technique. Using these best practices we achieve state-of-the-art results on CIFAR-10 classification for kernels corresponding to each architecture class we consider.



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Expressiveness and generalization of deep models was recently addressed via the connection between neural networks (NNs) and kernel learning, where first-order dynamics of NN during a gradient-descent (GD) optimization were related to gradient similarity kernel, also known as Neural Tangent Kernel (NTK). In the majority of works this kernel is considered to be time-invariant, with its properties being defined entirely by NN architecture and independent of the learning task at hand. In contrast, in this paper we empirically explore these properties along the optimization and show that in practical applications the NTK changes in a very dramatic and meaningful way, with its top eigenfunctions aligning toward the target function learned by NN. Moreover, these top eigenfunctions serve as basis functions for NN output - a function represented by NN is spanned almost completely by them for the entire optimization process. Further, since the learning along top eigenfunctions is typically fast, their alignment with the target function improves the overall optimization performance. In addition, we study how the neural spectrum is affected by learning rate decay, typically done by practitioners, showing various trends in the kernel behavior. We argue that the presented phenomena may lead to a more complete theoretical understanding behind NN learning.
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