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Deep Neural Networks as Gaussian Processes

Jaehoon Lee, Yasaman Bahri, Roman Novak

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Samuel S. Schoenholz, Jeffrey Pennington, Jascha Sohl-Dickstein

2017 · arXiv

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It has long been known that a single-layer fully-connected neural network with an i.i.d. prior over its parameters is equivalent to a Gaussian process (GP), in the limit of infinite network width. This correspondence enables exact Bayesian inference for infinite width neural networks on regression tasks by means of evaluating the corresponding GP. Recently, kernel functions which mimic multi-layer random neural networks have been developed, but only outside of a Bayesian framework. As such, previous work has not identified that these kernels can be used as covariance functions for GPs and allow fully Bayesian prediction with a deep neural network. In this work, we derive the exact equivalence between infinitely wide deep networks and GPs. We further develop a computationally efficient pipeline to compute the covariance function for these GPs. We then use the resulting GPs to perform Bayesian inference for wide deep neural networks on MNIST and CIFAR-10. We observe that trained neural network accuracy approaches that of the corresponding GP with increasing layer width, and that the GP uncertainty is strongly correlated with trained network prediction error. We further find that test performance increases as finite-width trained networks are made wider and more similar to a GP, and thus that GP predictions typically outperform those of finite-width networks. Finally we connect the performance of these GPs to the recent theory of signal propagation in random neural networks.

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7 selected excerpts · 7 total mentions

nickpsecurity
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Thanks for the submission. I keep an eye out for connections to potentially cheaper and simpler methods. The new comparison reminds me of this old paper which compared them to Gaussian networks: https://arxiv.org/abs/1711.00165 For causality, I'm also keeping an eye out for ways to tie DNN research back into decision trees, esp probabilistic and nested. Or fuzzy logic. Here's an example I saw moving probabilistic methods into decision trees: http://www.gatsby.ucl.ac.uk/~balaji/balaji-phd-thesis.pdf Many of these sub-fields develop separately in their own ways. Gotta wonder what recent innovations in one could be ported to another.
PartiallyTyped
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> How well does a classic deep net architecture like AlexNet or VGG19 classify on a standard dataset such as CIFAR-10 when its “width”— namely, number of channels in convolutional layers, and number of nodes in fully-connected internal layers — is allowed to increase to infinity? Such questions have come to the forefront in the quest to theoretically understand deep learning and its mysteries about optimization and generalization. They also connect deep learning to notions such as Gaussian processes and kernels. A recent paper [Jacot et al., 2018] introduced the Neural Tangent Kernel (NTK) which captures the behavior of fully-connected deep nets in the infinite width…
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limit trained by gradient descent; this object was implicit in some other recent papers. An attraction of such ideas is that a pure kernel-based method is used to capture the power of a fully-trained deep net of infinite width. https://openreview.net/pdf?id=rkl4aESeUH, https://github.com/google/neural-tangents > It has long been known that a single-layer fully-connected neural network with an i.i.d. prior over its parameters is equivalent to a Gaussian process (GP), in the limit of infinite network width. https://arxiv.org/abs/1711.00165 And of course, one needs to look back at SVMs applying a kernel function and separating with a line, which looks a lot like an ANN with a single hidden layer followed by a linear mapping. https://stats.stackexchange.com/questions/238635/kernel-meth...
yorwba
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You can do basic math to a multivariate normal distribution to approximate other distributions. In classic feedforward networks, that's achieved by using nonlinear activation functions. Very wide networks turn into Gaussian processes in the limit [0]. There are also approaches explicitly embracing the "basic math on multivariate normal distributions" framework using normalizing flows [1]. [0] https://arxiv.org/abs/1711.00165 [1] https://arxiv.org/abs/1505.05770

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