## Archive for Wasserstein distance

## right place, wrong version

Posted in Statistics with tags ABC, Approximate Bayesian computation, copyediting, HAL, Helvetica, Journal of the Royal Statistical Society, Royal Statistical Society, Series B, typos, Wasserstein distance on August 12, 2020 by xi'an## frontier of simulation-based inference

Posted in Books, Statistics, University life with tags ABC, Bayesian deep learning, classification, deep learning, GANs, kernel density estimator, National Academy of Science, neural network, neural networks and learning machines, PNAS, simulation-based inference, Statistics, summary statistics, Wasserstein distance on June 11, 2020 by xi'an

“This paper results from the Arthur M. Sackler Colloquium of the National Academy of Sciences, `The Science of Deep Learning,’ held March 13–14, 2019, at the National Academy of Sciences in Washington, DC.”

**A** paper by Kyle Cranmer, Johann Brehmer, and Gilles Louppe just appeared in PNAS on the frontier of simulation-based inference. Sounding more like a tribune than a research paper producing new input. Or at least like a review. Providing a quick introduction to simulators, inference, ABC. Stating the shortcomings of simulation-based inference as three-folded:

- costly, since required a large number of simulated samples
- loosing information through the use of insufficient summary statistics or poor non-parametric approximations of the sampling density.
- wasteful as requiring new computational efforts for new datasets, primarily for ABC as learning the likelihood function (as a function of both the parameter θ and the data x) is only done once.

And the difficulties increase with the dimension of the data. While the points made above are correct, I want to note that ideally ABC (and Bayesian inference as a whole) only depends on a single dimension observation, which is the likelihood value. Or more practically that it only depends on the distance from the observed data to the simulated data. (Possibly the Wasserstein distance between the cdfs.) And that, somewhat unrealistically, that ABC could store the reference table once for all. Point 3 can also be debated in that the effort of learning an approximation can only be amortized when exactly the same model is re-employed with new data, which is likely in industrial applications but less in scientific investigations, I would think. About point 2, the paper misses part of the ABC literature on selecting summary statistics, e.g., the culling afforded by random forests ABC, or the earlier use of the score function in Martin et al. (2019).

The paper then makes a case for using machine-, active-, and deep-learning advances to overcome those blocks. Recouping other recent publications and talks (like Dennis on One World ABC’minar!). Once again presenting machine-learning techniques such as normalizing flows as more efficient than traditional non-parametric estimators. Of which I remain unconvinced without deeper arguments [than the repeated mention of powerful machine-learning techniques] on the convergence rates of these estimators (rather than extolling the super-powers of neural nets).

“A classifier is trained using supervised learning to discriminate two sets of data, although in this case both sets come from the simulator and are generated for different parameter points θ⁰ and θ¹. The classifier output function can be converted into an approximation of the likelihood ratio between θ⁰ and θ¹ (…) learning the likelihood or posterior is an unsupervised learning problem, whereas estimating the likelihood ratio through a classifier is an example of supervised learning and often a simpler task.”

The above comment is highly connected to the approach set by Geyer in 1994 and expanded in Gutmann and Hyvärinen in 2012. Interestingly, at least from my narrow statistician viewpoint!, the discussion about using these different types of approximation to the likelihood and hence to the resulting Bayesian inference never engages into a quantification of the approximation or even broaches upon the potential for inconsistent inference unlocked by using fake likelihoods. While insisting on the information loss brought by using summary statistics.

“Can the outcome be trusted in the presence of imperfections such as limited sample size, insufficient network capacity, or inefficient optimization?”

Interestingly [the more because the paper is classified as statistics] the above shows that the statistical question is set instead in terms of numerical error(s). With proposals to address it ranging from (unrealistic) parametric bootstrap to some forms of GANs.

## the buzz about nuzz

Posted in Books, Mountains, pictures, Statistics with tags Hamiltonian Monte Carlo, HMC, Jim Berger, Loch Lomond, MALA, Metropolis-Hastings algorithm, partly deterministic processes, PDMP, Poisson process, Purdue University, root finding, Tom Sellke, Wasserstein distance, Zig-Zag on April 6, 2020 by xi'an

“…expensive in these terms, as for each root, Λ(x(s),v) (at the cost of one epoch) has to be evaluated for each root finding iteration, for each node of the numerical integral“

**W**hen using the ZigZag sampler, the main (?) difficulty is in producing velocity switch as the switches are produced as interarrival times of an inhomogeneous Poisson process. When the rate of this process cannot be integrated out in an analytical manner, the only generic approach I know is in using Poisson thinning, obtained by finding an integrable upper bound on this rate, generating from this new process and subsampling. Finding the bound is however far from straightforward and may anyway result in an inefficient sampler. This new paper by Simon Cotter, Thomas House and Filippo Pagani makes several proposals to simplify this simulation, Nuzz standing for numerical ZigZag. Even better (!), their approach is based on what they call *the Sellke construction*, with Tom Sellke being a probabilist and statistician at Purdue University (*trivia:* whom I met when spending a postdoctoral year there in 1987-1988) who also wrote a fundamental paper on the opposition between Bayes factors and p-values with Jim Berger.

“We chose as a measure of algorithm performance the largest Kolmogorov-Smirnov (KS) distance between the MCMC sample and true distribution amongst all the marginal distributions.”

The practical trick is rather straightforward in that it sums up as the exponentiation of the inverse cdf method, completed with a numerical resolution of the inversion. Based on the QAGS (Quadrature Adaptive Gauss-Kronrod Singularities) integration routine. In order to save time Kingman’s superposition trick only requires one inversion rather than d, the dimension of the variable of interest. This nuzzled version of ZIgZag can furthermore be interpreted as a PDMP *per se*. Except that it retains a numerical error, whose impact on convergence is analysed in the paper. In terms of Wasserstein distance between the invariant measures. The paper concludes with a numerical comparison between Nuzz and random walk Metropolis-Hastings, HMC, and manifold MALA, using the number of evaluations of the likelihood as a measure of time requirement. Tuning for Nuzz is described, but not for the competition. Rather dramatically the Nuzz algorithm performs worse than this competition when counting one epoch for each likelihood computation and better when counting one epoch for each integral inversion. Which amounts to perfect inversion, unsurprisingly. As a final remark, all models are more or less Normal, with very smooth level sets, maybe not an ideal range