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Deep Neural Networks as Gaussian Process

Details:

  • Authors: Jaehoon Lee, Yasaman Bahri, Roman Novak, Samuel S. Schoenholz, Jeffrey Pennington, Jascha Sohl-Dickstein
  • Link: Arxiv
  • Tags: Bayesian ML, Gaussain Processes, Neural Networks
  • Year: 2017
  • Conference: ICLR 2018
  • Implementation: Official in TensorFlow

Summary:

Problem

How can we frame deep/multi-layered neural networks as GPs hence deriving a corresponding GP mean and variance for a neural network.

How they solve it?

  • Gaussian Process Defination: A gaussian process defines a distribution over functions with as the average function and as variance over it. Hence they can be treated as flexible prior over functions. Practically a GP is defined by value of functions at some finite number of points. Hence for a sample from a GP ( which is a function ), its value at those finite points form a gaussian distribution with the and being the mean and covariance matrix respectively.
  • Correspondence between 1 layer neural network and GPs [1]. From Eq 1 can be seen as a summation of variables from i.i.d distribution. Hence comes from a gaussian distribution. * This by extension means that , which is the set of outputs for different inputs forming a multi-variate gaussian distribution. This basically defines a gaussian process as we have that a sample from this neural network ( that has a gaussian prior over its parameters with zero mean) follows a gaussian distribution. They then find the mean and co-variance matrix of this distribution which leads to a GP that is a distribution over all single layer neural networks with infinite width. The infinite width is needed because only then the central limit theorm is valid.
  • The authors then use induction over the layers of a neural network with the base case of a single layer neural network ( which is a GP as described above ). Assuming a neural network of K-1 layers corresponds to a GP, they show that the neural network with K layers also orresponds to a GP.
  • Following the steps in proof of single layer NN, Eq 4 could be derived. The expectation in that step is an integration over random variables and . From induction, these themselves are samples from a GP, hence they can be described with a deterministic function that depends on the co-variates of the GP and mean ( which is zero as it was for 1-layer NN ). This leads to Eq 5 which is a recursive relation. Following the recursion, one can derive the co-variance matirx / kernel of the neural network GP which they show in section 2.4, how to calculate efficiently.
  • In Section 2.4 the authors describe how to make predictions using a GP. In the experiments, the authors show that a NN based GP outperforms corresponding NN on Cifar-10 and MNIST especially in terms of generalization where wider networks have been shown to perform favorably over deep networks.

[1] Bayesian Learning for Neural Networks