Archive for HMC

a conceptual introduction to HMC

Posted in Books, Statistics with tags , , , , , , , on September 5, 2017 by xi'an

“…it has proven a empirical success on an incredibly diverse set of target distributions encountered in applied problems.”

In January this year (!), Michael Betancourt posted on arXiv a detailed introduction to Hamiltonian Monte Carlo that recouped some talks of his I attended. Like the one in Boston two years ago. I have (re)read through this introduction to include an HMC section in my accelerating MCMC review for WIREs (which writing does not accelerate very much…)

“…this formal construction is often out of reach of theoretical and applied statisticians alike.”

With the relevant provision of Michael being a friend and former colleague at Warwick, I appreciate the paper at least as much as I appreciated the highly intuitive approach to HMC in his talks. It is not very mathematical and does not provide theoretical arguments for the defence of one solution versus another, but it (still) provides engaging reasons for using HMC.

“One way to ensure computational inefficiency is to waste computational resources evaluating the target density and relevant functions in regions of parameter space that have negligible contribution to the desired expectation.”

The paper starts by insisting on the probabilistic importance of the typical set, which amounts to a ring for Gaussian-like distributions. Meaning that in high dimensions the mode of the target is not a point that is particularly frequently visited.  I find this notion quite compelling and am at the same time [almost] flabbergasted that I have never heard of it before.

“we will consider only a single parameterization for computing expectations, but we must be careful to ensure that any such computation does not depend on the irrelevant details of that parameterization, such as the particular shape of the probability density function.”

I am not sure I get this sentence. Either it means that an expectation remains invariant under reparameterisation. Or something else and more profound that eludes me. In particular because Michael repeats later (p.25) that the canonical density does not depend on the parameterisation.

“Every choice of kinetic energy and integration time yields a new Hamiltonian transition that will interact differently with a given target distribution (…) when poorly-chosen, however, the performance can suffer dramatically.”

When discussing HMC, Michael tends to get a wee bit overboard with superlatives!, although he eventually points out the need for calibration as in the above quote. The explanation of the HMC move as a combination of uniform moves along isoclines of fixed energy level and of jumps between energy levels does not seem to translate into practical implementations, at least not as explained in the paper.  Simulating directly the energy distribution for a complex target distribution does not seem more feasible than moving up likelihood levels in nested sampling. (Unless I have forgotten something essential about HMC!) Similarly, when discussing symplectic integrators, the paper intuitively conveys the reason these integrators avoid Euler’s difficulties, even though one has to seek elsewhere for rigorous explanations. In the end I cannot but agree with the concluding statement that the geometry of the target distribution holds the key to devising more efficient Monte Carlo methods.

asymptotically exact inference in likelihood-free models [a reply from the authors]

Posted in R, Statistics with tags , , , , , , , , , , , , , , , , , on December 1, 2016 by xi'an

[Following my post of lastTuesday, Matt Graham commented on the paper with force détails. Here are those comments. A nicer HTML version of the Markdown reply below is also available on Github.]

Thanks for the comments on the paper!

A few additional replies to augment what Amos wrote:

This however sounds somewhat intense in that it involves a quasi-Newton resolution at each step.

The method is definitely computationally expensive. If the constraint function is of the form of a function from an M-dimensional space to an N-dimensional space, with M≥N, for large N the dominant costs at each timestep are usually the constraint Jacobian (∂c/∂u) evaluation (with reverse-mode automatic differentiation this can be evaluated at a cost of O(N) generator / constraint evaluations) and Cholesky decomposition of the Jacobian product (∂c/∂u)(∂c/∂u)‘ with O(N³) cost (though in many cases e.g. i.i.d. or Markovian simulated data, structure in the generator Jacobian can be exploited to give a significantly reduced cost). Each inner Quasi-Newton update involves a pair of triangular solve operations which have a O(N²) cost, two matrix-vector multiplications with O(MN) cost, and a single constraint / generator function evaluation; the number of Quasi-Newton updates required for convergence in the numerical experiments tended to be much less than N hence the Quasi-Newton iteration tended not to be the main cost.

The high computation cost per update is traded off however with often being able to make much larger proposed moves in high-dimensional state spaces with a high chance of acceptance compared to ABC MCMC approaches. Even in the relatively small Lotka-Volterra example we provide which has an input dimension of 104 (four inputs which map to ‘parameters’, and 100 inputs which map to ‘noise’ variables), the ABC MCMC chains using the coarse ABC kernel radius ϵ=100 with comparably very cheap updates were significantly less efficient in terms of effective sample size / computation time than the proposed constrained HMC approach. This was in large part due to the elliptical slice sampling updates in the ABC MCMC chains generally collapsing down to very small moves even for this relatively coarse ϵ. Performance was even worse using non-adaptive ABC MCMC methods and for smaller ϵ, and for higher input dimensions (e.g. using a longer sequence with correspondingly more random inputs) the comparison becomes even more favourable for the constrained HMC approach. Continue reading →