Log-Concave Coupling for Sampling Neural Net Posteriors

In this work, we present a sampling algorithm for single hidden layer neural networks. This algorithm is built upon a recursive series of Bayesian posteriors using a method we call Greedy Bayes. Sampling of the Bayesian posterior for neuron weight vectors $w$ of dimension $d$ is challenging because of its multimodality. Our algorithm to tackle this problem is based on a coupling of the posterior density for $w$ with an auxiliary random variable $\xi$. The resulting reverse conditional $w|\xi$ of neuron weights given auxiliary random variable is shown to be log concave. In the construction of the posterior distributions we provide some freedom in the choice of the prior. In particular, for Gaussian priors on $w$ with suitably small variance, the resulting marginal density of the auxiliary variable $\xi$ is proven to be strictly log concave for all dimensions $d$. For a uniform prior on the unit $\ell_1$ ball, evidence is given that the density of $\xi$ is again strictly log concave for sufficiently large $d$. The score of the marginal density of the auxiliary random variable $\xi$ is determined by an expectation over $w|\xi$ and thus can be computed by various rapidly mixing Markov Chain Monte Carlo methods. Moreover, the computation of the score of $\xi$ permits methods of sampling $\xi$ by a stochastic diffusion (Langevin dynamics) with drift function built from this score. With such dynamics, information-theoretic methods pioneered by Bakry and Emery show that accurate sampling of $\xi$ is obtained rapidly when its density is indeed strictly log-concave. After which, one more draw from $w|\xi$, produces neuron weights $w$ whose marginal distribution is from the desired posterior.

Proposal of a Score Based Approach to Sampling Using Monte Carlo Estimation of Score and Oracle Access to Target Density

Score based approaches to sampling have shown much success as a generative algorithm to produce new samples from a target density given a pool of initial samples. In this work, we consider if we have no initial samples from the target density, but rather $0^{th}$ and $1^{st}$ order oracle access to the log likelihood. Such problems may arise in Bayesian posterior sampling, or in approximate minimization of non-convex functions. Using this knowledge alone, we propose a Monte Carlo method to estimate the score empirically as a particular expectation of a random variable. Using this estimator, we can then run a discrete version of the backward flow SDE to produce samples from the target density. This approach has the benefit of not relying on a pool of initial samples from the target density, and it does not rely on a neural network or other black box model to estimate the score.