Chris Oates wrotes the following reply to my Icelandic comments on his paper with Theodore Papamarkou, and Mark Girolami, reply that is detailed enough to deserve a post on its own:
Thank you Christian for your discussion of our work on the Og, and also for your helpful thoughts in the early days of this project! It might be interesting to speculate on some aspects of this procedure:
(i) Quadrature error is present in all estimates of evidence that are based on thermodynamic integration. It remains unknown how to exactly compute the optimal (variance minimising) temperature ladder “on-the-fly”; indeed this may be impossible, since the optimum is defined via a boundary value problem rather than an initial value problem. Other proposals for approximating this optimum are compatible with control variates (e.g. Grosse et al, NIPS 2013, Friel and Wyse, 2014). In empirical experiments we have found that the second order quadrature rule proposed by Friel and Wyse 2014 leads to substantially reduced bias, regardless of the specific choice of ladder.
(ii) Our experiments considered first and second degree polynomials as ZV control variates. In fact, intuition specifically motivates the use of second degree polynomials: Let us presume a linear expansion of the log-likelihood in θ. Then the implied score function is constant, not depending on θ. The quadratic ZV control variates are, in effect, obtained by multiplying the score function by θ. Thus control variates can be chosen to perfectly correlate with the log-likelihood, leading to zero-variance estimators. Of course, there is an empirical question of whether higher-order polynomials are useful when this Taylor approximation is inappropriate, but they would require the estimation of many more coefficients and in practice may be less stable.
(iii) We require that the control variates are stored along the chain and that their sample covariance is computed after the MCMC has terminated. For the specific examples in the paper such additional computation is a negligible fraction of the total computational, so that we did not provide specific timings. When non-diffegeometric MCMC is used to obtain samples, or when the score is unavailable in closed-form and must be estimated, the computational cost of the procedure would necessarily increase.
For the wide class of statistical models with tractable likelihoods, employed in almost all areas of statistical application, the CTI we propose should provide state-of-the-art estimation performance with negligible increase in computational costs.