On the issue of HMC step size, I wondered if anyone had published on the relationship between ideal step size and the log-posterior's second derivative. I found an answer in section 4.2 of Neal 2011[pdf], which poses the question in the context of a Gaussian-shaped posterior. Using eigenvalue analysis, he shows that a step size larger than 2 standard deviations results in unstable dynamcis, and the state will diverge to infinity. From Neal (2011):
For low-dimensional problems, using a value for ε that is just a bit below the stability limit is sufficient to produce a good acceptance rate. For high-dimensional problems, however, the stepsize may need to be reduced further than this to keep the error in H to a level that produces a good acceptance probability.
If we can estimate the Hessian of the log-posterior (perhaps diagonally), we can use this to choose the step-size as some fraction of that (user settable). Thus, our tuning run will perform Laplace approxization:
I've devised the strategy below for sampling the clustering model. I have determined that all variables can be Gibbs sampled except the latent piecewise linear model.
Step 3 needs some explanation.
Let x be the column vector of latent immune activity values at each time, (t). These are provided by the (fixed) piecewise linear model. Recall that the observation model is:
Thus, the error is given by
where \ocross is the kronecker product in our case, the observation noise variance Σϵ is simply \(I \sigma2 \).
If we assume a uniform prior over A and B, then this Gaussian becomes our conditional posterior distribution, which we can easilly sample from with Gibbs.
Posted by Kyle Simek