transport, diffusions, and sampling

At the Sampling, Transport, and Diffusions workshop at the Flatiron Institute, on Day #2, Marilou Gabrié (École Polytechnique) gave the second introductory lecture on merging sampling and normalising flows targeting the target distribution, when driven by a divergence criterion like KL, that only requires the shape of the target density. I first wondered about ergodicity guarantees in simultaneous MCMC and map training due to the adaptation of the flow but the update of the map only depends on the current particle cloud in (8). From an MCMC perspective, it sounds somewhat paradoxical to see the independent sampler making such an unexpected come-back when considering that no insider information is available about the (complex) posterior to drive the [what-you-get-is-what-you-see] construction of the transport map. However, the proposed approach superposed local (random-walk like) and global (transport) proposals in Algorithm 1.

Qiang Liu followed on learning transport maps, with the  Interesting notion of causalizing a graph by removing intersections (which are impossible for an ODE, as discussed by Eric Vanden-Eijden’s talk yesterday) through  coupling. Which underlies his notion of rectified flows. Possibly connecting with the next lightning talk by Jonathan Weare on spurious modes created by a variational Monte Carlo sampler and the use of stochastic gradient, corrected by (case-dependent?) regularisation.

Then came a whole series of MCMC talks!

Sam Livingstone spoke on Barker’s proposal (an incoming Biometrika paper!) as part of a general class of transforms g of the MH ratio, using jump processes based on a nasty normalising constant related with g (tractable for the original Barker algorithm). I then realised I had missed his StatSci paper on how to speak to statistical physics researchers!

Charles Margossian spoke about using a massive number of short parallel runs (many-short-chain regime) from a recent paper written with Aki,  Andrew, and Lionel Riou-Durand (Warwick) among others. Which brings us back to the challenge of producing convergence diagnostics and precisely the Gelman-Rubin R statistic or its recent nR avatar (with its linear limitations and dependence on parameterisation, as opposed to fuller distributional criteria). The core of the approach is in using blocks of GPUs to improve and speed-up the estimation of the between-chain variance. (D for R².) I still wonder at a waste of simulations / computing power resulting from stopping the runs almost immediately after warm-up is over, since reaching the stationary regime or an approximation thereof should be exploited more efficiently. (Starting from a minimal discrepancy sample would also improve efficiency.)

Lu Zhang also talked on the issue of cutting down warmup, presenting a paper co-authored with Bob, Andrew, and Aki, recommending Laplace / variational approximations for reaching faster high-posterior-density regions, using an algorithm called Pathfinder that relies on ELBO checks to counter poor performances of Laplace approximations. In the spirit of the workshop, it could be profitable to further transform / push-forward the outcome by a transport map.

Yuling Yao (of stacking and Pareto smoothing fame!) gave an original and challenging (in a positive sense) talk on the many ways of bridging densities [linked with the remark he shared with me the day before] and their statistical significance. Questioning our usual reliance on arithmetic or geometric mixtures. Ignoring computational issues, selecting a bridging pattern sounds not different from choosing a parameterised family of embedding distributions. This new typology of models can then be endowed with properties that are more or less appealing. (Occurences of the Hyvärinen score and our mixtestin perspective in the talk!)

Miranda Holmes-Cerfon talked about MCMC on stratification (illustrated by this beautiful picture of nanoparticle random walks). Which means sampling under varying constraints and dimensions with associated densities under the respective Hausdorff measures. This sounds like a perfect setting for reversible jump and in a sense it is, as mentioned in the talks. Except that the moves between manifolds are driven by the proximity to said manifold, helping with a higher acceptance rate, and making the proposals easier to construct since projections (or the reverses) have a physical meaning. (But I could not tell from the talk why the approach was seemingly escaping the symmetry constraint set by Peter Green’s RJMCMC on the reciprocal moves between two given manifolds).

inferring the number of components [remotely]

common derivation for Metropolis–Hastings and other MCMC algorithms

Khoa Tran and Robert Kohn from UNSW just arXived a paper on a comprehensive derivation of a large range of MCMC algorithms, beyond Metropolis-Hastings. The idea is to decompose the MCMC move into

1. a random completion of the current value θ into V;
2. a deterministic move T from (θ,V) to (ξ,W), where only ξ matters.

If this sounds like a new version of Peter Green’s completion at the core of his 1995 RJMCMC algorithm, it is because it is indeed essentially the same notion. The resort to this completion allows for a standard form of the Metropolis-Hastings algorithm, which leads to the correct stationary distribution if T is self-inverse. This representation covers Metropolis-Hastings algorithms, Gibbs sampling, Metropolis-within-Gibbs and auxiliary variables methods, slice sampling, recursive proposals, directional sampling, Langevin and Hamiltonian Monte Carlo, NUTS sampling, pseudo-marginal Metropolis-Hastings algorithms, and pseudo-marginal Hamiltonian  Monte Carlo, as discussed by the authors. Given this representation of the Markov chain through a random transform, I wonder if Peter Glynn’s trick mentioned in the previous post on retrospective Monte Carlo applies in this generic setting (as it could considerably improve convergence…)

high-dimensional stochastic simulation and optimisation in image processing [day #3]

Last and maybe most exciting day of the “High-dimensional Stochastic Simulation and Optimisation in Image Processing” in Bristol as it was exclusively about simulation (MCMC) methods. Except my own talk on ABC. And Peter Green’s on consistency of Bayesian inference in non-regular models. The talks today were indeed about using convex optimisation devices to speed up MCMC algorithms with tools that were entirely new to me, like the Moreau transform discussed by Marcelo Pereyra. Or using auxiliary variables à la RJMCMC to bypass expensive Choleski decompositions. Or optimisation steps from one dual space to the original space for the same reason. Or using pseudo-gradients on partly differentiable functions in the talk by Sylvain Lecorff on a paper commented earlier in the ‘Og. I particularly liked the notion of Moreau regularisation that leads to more efficient Langevin algorithms when the target is not regular enough. Actually, the discretised diffusion itself may be geometrically ergodic without the corrective step of the Metropolis-Hastings acceptance. This obviously begs the question of an extension to Hamiltonian Monte Carlo. And to multimodal targets, possibly requiring as many normalisation factors as there are modes. So, in fine, a highly informative workshop, with the perfect size and the perfect crowd (which happened to be predominantly French, albeit from a community I did not have the opportunity to practice previously). Massive kudos to Marcello for putting this workshop together, esp. on a week where family major happy events should have kept him at home!

As the workshop ended up in mid-afternoon, I had plenty of time for a long run with Florence Forbes down to the Avon river and back up among the deers of Ashton Court, avoiding most of the rain, all of the mountain bikes on a bike trail that sounded like trail running practice, and building enough of an appetite for the South Indian cooking of the nearby Thali Café. Brilliant!

a day for comments

As I was flying over Skye (with [maybe] a first if hazy perspective on the Cuillin ridge!) to Iceland, three long sets of replies to some of my posts appeared on the ‘Og:

• Dan Simpson replied to my comments of last Tuesday about his PC  construction;
• Arnaud Doucet precised some issues about his adaptive subsampling paper;
• Amandine Schreck clarified why I had missed some points in her Bayesian variable selection paper;
• Randal Douc defended the efficiency of using Carlin and Chib (1995) method for mixture simulation.

Thanks to them for taking the time to answer my musings…