High-Dimensional Density Ratio Estimation with Extensions to Approximate Likelihood Computation

The ratio between two probability density functions is an important component of various tasks, including selection bias correction, novelty detection and classification. Recently, several estimators of this ratio have been proposed. Most of these methods fail if the sample space is high-dimensional, and hence require a dimension reduction step, the result of which can be a significant loss of information. Here we propose a simple-to-implement, fully nonparametric density ratio estimator that expands the ratio in terms of the eigenfunctions of a kernel-based operator; these functions reflect the underlying geometry of the data (e.g., submanifold structure), often leading to better estimates without an explicit dimension reduction step. We show how our general framework can be extended to address another important problem, the estimation of a likelihood function in situations where that function cannot be well-approximated by an analytical form. One is often faced with this situation when performing statistical inference with data from the sciences, due the complexity of the data and of the processes that generated those data. We emphasize applications where using existing likelihood-free methods of inference would be challenging due to the high dimensionality of the sample space, but where our spectral series method yields a reasonable estimate of the likelihood function. We provide theoretical guarantees and illustrate the effectiveness of our proposed method with numerical experiments.Comment: With supplementary materia

Mining gold from implicit models to improve likelihood-free inference

Simulators often provide the best description of real-world phenomena. However, they also lead to challenging inverse problems because the density they implicitly define is often intractable. We present a new suite of simulation-based inference techniques that go beyond the traditional Approximate Bayesian Computation approach, which struggles in a high-dimensional setting, and extend methods that use surrogate models based on neural networks. We show that additional information, such as the joint likelihood ratio and the joint score, can often be extracted from simulators and used to augment the training data for these surrogate models. Finally, we demonstrate that these new techniques are more sample efficient and provide higher-fidelity inference than traditional methods.Comment: Code available at https://github.com/johannbrehmer/simulator-mining-example . v2: Fixed typos. v3: Expanded discussion, added Lotka-Volterra example. v4: Improved clarit

Gradient-free Hamiltonian Monte Carlo with Efficient Kernel Exponential Families

We propose Kernel Hamiltonian Monte Carlo (KMC), a gradient-free adaptive MCMC algorithm based on Hamiltonian Monte Carlo (HMC). On target densities where classical HMC is not an option due to intractable gradients, KMC adaptively learns the target's gradient structure by fitting an exponential family model in a Reproducing Kernel Hilbert Space. Computational costs are reduced by two novel efficient approximations to this gradient. While being asymptotically exact, KMC mimics HMC in terms of sampling efficiency, and offers substantial mixing improvements over state-of-the-art gradient free samplers. We support our claims with experimental studies on both toy and real-world applications, including Approximate Bayesian Computation and exact-approximate MCMC.Comment: 20 pages, 7 figure

Bayesian Conditional Density Filtering

We propose a Conditional Density Filtering (C-DF) algorithm for efficient online Bayesian inference. C-DF adapts MCMC sampling to the online setting, sampling from approximations to conditional posterior distributions obtained by propagating surrogate conditional sufficient statistics (a function of data and parameter estimates) as new data arrive. These quantities eliminate the need to store or process the entire dataset simultaneously and offer a number of desirable features. Often, these include a reduction in memory requirements and runtime and improved mixing, along with state-of-the-art parameter inference and prediction. These improvements are demonstrated through several illustrative examples including an application to high dimensional compressed regression. Finally, we show that C-DF samples converge to the target posterior distribution asymptotically as sampling proceeds and more data arrives.Comment: 41 pages, 7 figures, 12 table

Bayesian optimisation for likelihood-free cosmological inference

Many cosmological models have only a finite number of parameters of interest, but a very expensive data-generating process and an intractable likelihood function. We address the problem of performing likelihood-free Bayesian inference from such black-box simulation-based models, under the constraint of a very limited simulation budget (typically a few thousand). To do so, we adopt an approach based on the likelihood of an alternative parametric model. Conventional approaches to approximate Bayesian computation such as likelihood-free rejection sampling are impractical for the considered problem, due to the lack of knowledge about how the parameters affect the discrepancy between observed and simulated data. As a response, we make use of a strategy previously developed in the machine learning literature (Bayesian optimisation for likelihood-free inference, BOLFI), which combines Gaussian process regression of the discrepancy to build a surrogate surface with Bayesian optimisation to actively acquire training data. We extend the method by deriving an acquisition function tailored for the purpose of minimising the expected uncertainty in the approximate posterior density, in the parametric approach. The resulting algorithm is applied to the problems of summarising Gaussian signals and inferring cosmological parameters from the Joint Lightcurve Analysis supernovae data. We show that the number of required simulations is reduced by several orders of magnitude, and that the proposed acquisition function produces more accurate posterior approximations, as compared to common strategies.Comment: 16+9 pages, 12 figures. Matches PRD published version after minor modification

Marginal Likelihood Estimation with the Cross-Entropy Method

We consider an adaptive importance sampling approach to estimating the marginal likelihood, a quantity that is fundamental in Bayesian model comparison and Bayesian model averaging. This approach is motivated by the difficulty of obtaining an accurate estimate through existing algorithms that use Markov chain Monte Carlo (MCMC) draws, where the draws are typically costly to obtain and highly correlated in high-dimensional settings. In contrast, we use the cross-entropy (CE) method, a versatile adaptive Monte Carlo algorithm originally developed for rare-event simulation. The main advantage of the importance sampling approach is that random samples can be obtained from some convenient density with little additional costs. As we are generating independent draws instead of correlated MCMC draws, the increase in simulation effort is much smaller should one wish to reduce the numerical standard error of the estimator. Moreover, the importance density derived via the CE method is in a well-defined sense optimal. We demonstrate the utility of the proposed approach by two empirical applications involving women's labor market participation and U.S. macroeconomic time series. In both applications the proposed CE method compares favorably to existing estimators

Ensemble Kalman methods for high-dimensional hierarchical dynamic space-time models

We propose a new class of filtering and smoothing methods for inference in high-dimensional, nonlinear, non-Gaussian, spatio-temporal state-space models. The main idea is to combine the ensemble Kalman filter and smoother, developed in the geophysics literature, with state-space algorithms from the statistics literature. Our algorithms address a variety of estimation scenarios, including on-line and off-line state and parameter estimation. We take a Bayesian perspective, for which the goal is to generate samples from the joint posterior distribution of states and parameters. The key benefit of our approach is the use of ensemble Kalman methods for dimension reduction, which allows inference for high-dimensional state vectors. We compare our methods to existing ones, including ensemble Kalman filters, particle filters, and particle MCMC. Using a real data example of cloud motion and data simulated under a number of nonlinear and non-Gaussian scenarios, we show that our approaches outperform these existing methods