Smoothed Picard Hamiltonian Monte Carlo

Generating samples from a continuous probability density is a central algorithmic problem across statistics, engineering, and the sciences. For high-dimensional settings, Hamiltonian Monte Carlo (HMC) is the default algorithm across mainstream software packages. However, despite the extensive line of work on HMC and its widespread empirical success, it remains unclear how many iterations of HMC are required as a function of the dimension $d$. On one hand, a variety of results show that Metropolized HMC converges in $O(d^{1/4})$ iterations from a warm start close to stationarity. On the other hand, Metropolized HMC is significantly slower without a warm start, e.g., requiring $Ω(d^{1/2})$ iterations even for simple target distributions such as isotropic Gaussians. Finding a warm start is therefore the computational bottleneck for HMC. We resolve this issue for the well-studied setting of sampling from a probability distribution satisfying strong log-concavity (or isoperimetry) and third-order derivative bounds. We prove that non-Metropolized HMC generates a warm start in $\tilde{O}(d^{1/4})$ iterations, after which we can exploit the warm start using Metropolized HMC. Our final complexity of $\tilde{O}(d^{1/4})$ is the fastest algorithm for high-accuracy sampling under these assumptions, improving over the prior best of $\tilde{O}(d^{1/2})$. This closes the long line of work on the dimensional complexity of MHMC for such settings, and also provides a simple warm-start prescription for practical implementations.

We study the problem of sampling from $μ(\mathrm{d}x)\propto e^{-V(x)}\,\mathrm{d}x$ on $\mathbb{R}^d$, where $V$ is $α$-strongly convex and $β$-smooth, and write $κ:=β/α$. We design and analyze the Proximal Bouncy Particle Sampler (Proximal BPS), a new sampler that combines ideas from the proximal sampler and the bouncy particle sampler. From a warm start initialization with $O(1)$ Rényi divergence w.r.t. $μ$, Proximal BPS returns a sample whose law is $\varepsilon$-close to $μ$ in total variation distance using $\widetilde O(\sqrtκ\,d^{1/4} \,\mathrm{polylog}(1/\varepsilon))$ gradient queries in expectation.

We show the Randomized Hamiltonian Monte Carlo (RHMC) algorithm has accelerated mixing time guarantees for sampling from log-concave probability distributions. RHMC proceeds by repeatedly simulating the continuous-time Hamiltonian dynamics for some random integration times, and resetting the velocity to be an independent Gaussian random variable between each simulation. We show that when the target distribution is log-concave and satisfies an $α$-Talagrand inequality (for example, if the target distribution is $α$-strongly log-concave), if we use a random integration time from either the triangular or the exponential distribution with mean $Θ(α^{-1/2})$, then RHMC converges exponentially fast in KL divergence, and the total integration time to reach error $\varepsilon$ in KL divergence scales as $O(α^{-1/2} \log(\varepsilon^{-1}))$. We also show that when the target distribution is log-concave, if we use a sequence of random integration times from the triangular distribution with exponentially increasing means, then the total integration time to reach error $\varepsilon$ in KL divergence scales as $O(\varepsilon^{-1/2})$. Our analysis relies on a bound on the average KL divergence along Hamiltonian dynamics, which is inspired by an analogous result on accelerated optimization methods based on Hamiltonian dynamics.