Sampling and Integration of Logconcave Functions by Algorithmic Diffusion

We study the complexity of sampling, rounding, and integrating arbitrary logconcave functions. Our new approach provides the first complexity improvements in nearly two decades for general logconcave functions for all three problems, and matches the best-known complexities for the special case of uniform distributions on convex bodies. For the sampling problem, our output guarantees are significantly stronger than previously known, and lead to a streamlined analysis of statistical estimation based on dependent random samples.

Covariance estimation using Markov chain Monte Carlo

We investigate the complexity of covariance matrix estimation for Gibbs distributions based on dependent samples from a Markov chain. We show that when $\pi$ satisfies a Poincar\'e inequality and the chain possesses a spectral gap, we can achieve similar sample complexity using MCMC as compared to an estimator constructed using i.i.d. samples, with potentially much better query complexity. As an application of our methods, we show improvements for the query complexity in both constrained and unconstrained settings for concrete instances of MCMC. In particular, we provide guarantees regarding isotropic rounding procedures for sampling uniformly on convex bodies.

Rényi-infinity constrained sampling with $d^3$ membership queries

Uniform sampling over a convex body is a fundamental algorithmic problem, yet the convergence in KL or R\'enyi divergence of most samplers remains poorly understood. In this work, we propose a constrained proximal sampler, a principled and simple algorithm that possesses elegant convergence guarantees. Leveraging the uniform ergodicity of this sampler, we show that it converges in the R\'enyi-infinity divergence ($\mathcal R_\infty$) with no query complexity overhead when starting from a warm start. This is the strongest of commonly considered performance metrics, implying rates in $\{\mathcal R_q, \mathsf{KL}\}$ convergence as special cases. By applying this sampler within an annealing scheme, we propose an algorithm which can approximately sample $\varepsilon$-close to the uniform distribution on convex bodies in $\mathcal R_\infty$-divergence with $\widetilde{\mathcal{O}}(d^3\, \text{polylog} \frac{1}{\varepsilon})$ query complexity. This improves on all prior results in $\{\mathcal R_q, \mathsf{KL}\}$-divergences, without resorting to any algorithmic modifications or post-processing of the sample. It also matches the prior best known complexity in total variation distance.

In-and-Out: Algorithmic Diffusion for Sampling Convex Bodies

We present a new random walk for uniformly sampling high-dimensional convex bodies. It achieves state-of-the-art runtime complexity with stronger guarantees on the output than previously known, namely in R\'enyi divergence (which implies TV, $\mathcal{W}_2$, KL, $\chi^2$). The proof departs from known approaches for polytime algorithms for the problem -- we utilize a stochastic diffusion perspective to show contraction to the target distribution with the rate of convergence determined by functional isoperimetric constants of the stationary density.

Sampling from the Mean-Field Stationary Distribution

We study the complexity of sampling from the stationary distribution of a mean-field SDE, or equivalently, the complexity of minimizing a functional over the space of probability measures which includes an interaction term. Our main insight is to decouple the two key aspects of this problem: (1) approximation of the mean-field SDE via a finite-particle system, via uniform-in-time propagation of chaos, and (2) sampling from the finite-particle stationary distribution, via standard log-concave samplers. Our approach is conceptually simpler and its flexibility allows for incorporating the state-of-the-art for both algorithms and theory. This leads to improved guarantees in numerous settings, including better guarantees for optimizing certain two-layer neural networks in the mean-field regime.

Understanding Adam Optimizer via Online Learning of Updates: Adam is FTRL in Disguise

Despite the success of the Adam optimizer in practice, the theoretical understanding of its algorithmic components still remains limited. In particular, most existing analyses of Adam show the convergence rate that can be simply achieved by non-adative algorithms like SGD. In this work, we provide a different perspective based on online learning that underscores the importance of Adam's algorithmic components. Inspired by Cutkosky et al. (2023), we consider the framework called online learning of updates, where we choose the updates of an optimizer based on an online learner. With this framework, the design of a good optimizer is reduced to the design of a good online learner. Our main observation is that Adam corresponds to a principled online learning framework called Follow-the-Regularized-Leader (FTRL). Building on this observation, we study the benefits of its algorithmic components from the online learning perspective.

Efficiently Sampling the PSD Cone with the Metric Dikin Walk

Semi-definite programs represent a frontier of efficient computation. While there has been much progress on semi-definite optimization, with moderate-sized instances currently solvable in practice by the interior-point method, the basic problem of sampling semi-definite solutions remains a formidable challenge. The direct application of known polynomial-time algorithms for sampling general convex bodies to semi-definite sampling leads to a prohibitively high running time. In addition, known general methods require an expensive rounding phase as pre-processing. Here we analyze the Dikin walk, by first adapting it to general metrics, then devising suitable metrics for the PSD cone with affine constraints. The resulting mixing time and per-step complexity are considerably smaller, and by an appropriate choice of the metric, the dependence on the number of constraints can be made polylogarithmic. We introduce a refined notion of self-concordant matrix functions and give rules for combining different metrics. Along the way, we further develop the theory of interior-point methods for sampling.

Condition-number-independent Convergence Rate of Riemannian Hamiltonian Monte Carlo with Numerical Integrators

We study the convergence rate of discretized Riemannian Hamiltonian Monte Carlo on sampling from distributions in the form of $e^{-f(x)}$ on a convex set $\mathcal{M}\subset\mathbb{R}^{n}$. We show that for distributions in the form of $e^{-\alpha^{\top}x}$ on a polytope with $m$ constraints, the convergence rate of a family of commonly-used integrators is independent of $\left\Vert \alpha\right\Vert_2$ and the geometry of the polytope. In particular, the Implicit Midpoint Method (IMM) and the generalized Leapfrog integrator (LM) have a mixing time of $\widetilde{O}\left(mn^{3}\right)$ to achieve $\epsilon$ total variation distance to the target distribution. These guarantees are based on a general bound on the convergence rate for densities of the form $e^{-f(x)}$ in terms of parameters of the manifold and the integrator. Our theoretical guarantee complements the empirical results of [KLSV22], which shows that RHMC with IMM can sample ill-conditioned, non-smooth and constrained distributions in very high dimension efficiently in practice.

Sampling with Riemannian Hamiltonian Monte Carlo in a Constrained Space

We demonstrate for the first time that ill-conditioned, non-smooth, constrained distributions in very high dimension, upwards of 100,000, can be sampled efficiently $\textit{in practice}$. Our algorithm incorporates constraints into the Riemannian version of Hamiltonian Monte Carlo and maintains sparsity. This allows us to achieve a mixing rate independent of smoothness and condition numbers. On benchmark data sets in systems biology and linear programming, our algorithm outperforms existing packages by orders of magnitude. In particular, we achieve a 1,000-fold speed-up for sampling from the largest published human metabolic network (RECON3D). Our package has been incorporated into the COBRA toolbox.