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

Particle Efficient Importance Sampling

The efficient importance sampling (EIS) method is a general principle for the numerical evaluation of high-dimensional integrals that uses the sequential structure of target integrands to build variance minimising importance samplers. Despite a number of successful applications in high dimensions, it is well known that importance sampling strategies are subject to an exponential growth in variance as the dimension of the integration increases. We solve this problem by recognising that the EIS framework has an offline sequential Monte Carlo interpretation. The particle EIS method is based on non-standard resampling weights that take into account the look-ahead construction of the importance sampler. We apply the method for a range of univariate and bivariate stochastic volatility specifications. We also develop a new application of the EIS approach to state space models with Student's t state innovations. Our results show that the particle EIS method strongly outperforms both the standard EIS method and particle filters for likelihood evaluation in high dimensions. Moreover, the ratio between the variances of the particle EIS and particle filter methods remains stable as the time series dimension increases. We illustrate the efficiency of the method for Bayesian inference using the particle marginal Metropolis-Hastings and importance sampling squared algorithms

Hashing-Based-Estimators for Kernel Density in High Dimensions

Given a set of points $P\subset \mathbb{R}^{d}$ and a kernel $k$, the Kernel Density Estimate at a point $x\in\mathbb{R}^{d}$ is defined as $\mathrm{KDE}_{P}(x)=\frac{1}{|P|}\sum_{y\in P} k(x,y)$. We study the problem of designing a data structure that given a data set $P$ and a kernel function, returns *approximations to the kernel density* of a query point in *sublinear time*. We introduce a class of unbiased estimators for kernel density implemented through locality-sensitive hashing, and give general theorems bounding the variance of such estimators. These estimators give rise to efficient data structures for estimating the kernel density in high dimensions for a variety of commonly used kernels. Our work is the first to provide data-structures with theoretical guarantees that improve upon simple random sampling in high dimensions.Comment: A preliminary version of this paper appeared in FOCS 201

Ground states in the Many Interacting Worlds approach

Recently the Many-Interacting-Worlds (MIW) approach to a quantum theory without wave functions was proposed. This approach leads quite naturally to numerical integrators of the Schr\"odinger equation. It has been suggested that such integrators may feature advantages over fixed-grid methods for higher numbers of degrees of freedom. However, as yet, little is known about concrete MIW models for more than one spatial dimension and/or more than one particle. In this work we develop the MIW approach further to treat arbitrary degrees of freedom, and provide a systematic study of a corresponding numerical implementation for computing one-particle ground and excited states in one dimension, and ground states in two spatial dimensions. With this step towards the treatment of higher degrees of freedom we hope to stimulate their further study.Comment: 16 pages, 8 figure