Stein Variational Gradient Descent (SVGD) is a widely used sampling algorithm that has been successfully applied in several areas of Machine Learning. SVGD operates by iteratively moving a set of $n$ interacting particles (which represent the samples) to approximate the target distribution. Despite recent studies on the complexity of SVGD and its variants, their long-time asymptotic behavior (i.e., after numerous iterations $k$) is still not understood in the finite number of particles regime. We study the long-time asymptotic behavior of a noisy variant of SVGD. First, we establish that the limit set of noisy SVGD for large $k$ is well-defined. We then characterize this limit set, showing that it approaches the target distribution as $n$ increases. In particular, noisy SVGD avoids the variance collapse observed for SVGD. Our approach involves demonstrating that the trajectories of noisy SVGD closely resemble those described by a McKean-Vlasov process.

We characterize the query complexity of finding stationary points of one-dimensional non-convex but smooth functions. We consider four settings, based on whether the algorithms under consideration are deterministic or randomized, and whether the oracle outputs $1^{\rm st}$-order or both $0^{\rm th}$- and $1^{\rm st}$-order information. Our results show that algorithms for this task provably benefit by incorporating either randomness or $0^{\rm th}$-order information. Our results also show that, for every dimension $d \geq 1$, gradient descent is optimal among deterministic algorithms using $1^{\rm st}$-order queries only.

Variational inference (VI) seeks to approximate a target distribution $\pi$ by an element of a tractable family of distributions. Of key interest in statistics and machine learning is Gaussian VI, which approximates $\pi$ by minimizing the Kullback-Leibler (KL) divergence to $\pi$ over the space of Gaussians. In this work, we develop the (Stochastic) Forward-Backward Gaussian Variational Inference (FB-GVI) algorithm to solve Gaussian VI. Our approach exploits the composite structure of the KL divergence, which can be written as the sum of a smooth term (the potential) and a non-smooth term (the entropy) over the Bures-Wasserstein (BW) space of Gaussians endowed with the Wasserstein distance. For our proposed algorithm, we obtain state-of-the-art convergence guarantees when $\pi$ is log-smooth and log-concave, as well as the first convergence guarantees to first-order stationary solutions when $\pi$ is only log-smooth.

We provide the first polynomial-time convergence guarantees for the probabilistic flow ODE implementation (together with a corrector step) of score-based generative modeling. Our analysis is carried out in the wake of recent results obtaining such guarantees for the SDE-based implementation (i.e., denoising diffusion probabilistic modeling or DDPM), but requires the development of novel techniques for studying deterministic dynamics without contractivity. Through the use of a specially chosen corrector step based on the underdamped Langevin diffusion, we obtain better dimension dependence than prior works on DDPM ($O(\sqrt d)$ vs. $O(d)$, assuming smoothness of the data distribution), highlighting potential advantages of the ODE framework.

Optimization problems under affine constraints appear in various areas of machine learning. We consider the task of minimizing a smooth strongly convex function F(x) under the affine constraint Kx = b, with an oracle providing evaluations of the gradient of F and multiplications by K and its transpose. We provide lower bounds on the number of gradient computations and matrix multiplications to achieve a given accuracy. Then we propose an accelerated primal-dual algorithm achieving these lower bounds. Our algorithm is the first optimal algorithm for this class of problems.

For the task of sampling from a density $\pi \propto \exp(-V)$ on $\R^d$, where $V$ is possibly non-convex but $L$-gradient Lipschitz, we prove that averaged Langevin Monte Carlo outputs a sample with $\varepsilon$-relative Fisher information after $O(L^2 d^2/\varepsilon^2)$ iterations. This is the sampling analogue of complexity bounds for finding an $\varepsilon$-approximate first-order stationary points in non-convex optimization and therefore constitutes a first step towards the general theory of non-log-concave sampling. We discuss numerous extensions and applications of our result; in particular, it yields a new state-of-the-art guarantee for sampling from distributions which satisfy a Poincaré inequality.

We study the proximal sampler of Lee, Shen, and Tian (2021) and obtain new convergence guarantees under weaker assumptions than strong log-concavity: namely, our results hold for (1) weakly log-concave targets, and (2) targets satisfying isoperimetric assumptions which allow for non-log-concavity. We demonstrate our results by obtaining new state-of-the-art sampling guarantees for several classes of target distributions. We also strengthen the connection between the proximal sampler and the proximal method in optimization by interpreting the former as an entropically regularized Wasserstein gradient flow and the latter as the limit of one.

Stein Variational Gradient Descent (SVGD) is an algorithm for sampling from a target density which is known up to a multiplicative constant. Although SVGD is a popular algorithm in practice, its theoretical study is limited to a few recent works. We study the convergence of SVGD in the population limit, (i.e., with an infinite number of particles) to sample from a non-logconcave target distribution satisfying Talagrand’s inequality T1. We first establish the convergence of the algorithm. Then, we establish a dimension-dependent complexity bound in terms of the Kernelized Stein Discrepancy (KSD). Unlike existing works, we do not assume that the KSD is bounded along the trajectory of the algorithm. Our approach relies on interpreting SVGD as a gradient descent over a space of probability measures.

We study the Stein Variational Gradient Descent (SVGD) algorithm, which optimises a set of particles to approximate a target probability distribution $\pi\propto e^{-V}$ on $\R^d$. In the population limit, SVGD performs gradient descent in the space of probability distributions on the KL divergence with respect to $\pi$, where the gradient is smoothed through a kernel integral operator. In this paper, we provide a novel finite time analysis for the SVGD algorithm. We provide a descent lemma establishing that the algorithm decreases the objective at each iteration, and rates of convergence. We also provide a convergence result of the finite particle system corresponding to the practical implementation of SVGD to its population version.

We consider the task of decentralized minimization of the sum of smooth strongly convex functions stored across the nodes of a network. For this problem, lower bounds on the number of gradient computations and the number of communication rounds required to achieve $\varepsilon$ accuracy have recently been proven. We propose two new algorithms for this decentralized optimization problem and equip them with complexity guarantees. We show that our first method is optimal both in terms of the number of communication rounds and in terms of the number of gradient computations. Unlike existing optimal algorithms, our algorithm does not rely on the expensive evaluation of dual gradients. Our second algorithm is optimal in terms of the number of communication rounds, without a logarithmic factor. Our approach relies on viewing the two proposed algorithms as accelerated variants of the Forward Backward algorithm to solve monotone inclusions associated with the decentralized optimization problem. We also verify the efficacy of our methods against state-of-the-art algorithms through numerical experiments.

Wasserstein gradient flows are continuous time dynamics that define curves of steepest descent to minimize an objective function over the space of probability measures (i.e., the Wasserstein space). This objective is typically a divergence w.r.t. a fixed target distribution. In recent years, these continuous time dynamics have been used to study the convergence of machine learning algorithms aiming at approximating a probability distribution. However, the discrete-time behavior of these algorithms might differ from the continuous time dynamics. Besides, although discretized gradient flows have been proposed in the literature, little is known about their minimization power. In this work, we propose a Forward Backward (FB) discretization scheme that can tackle the case where the objective function is the sum of a smooth and a nonsmooth geodesically convex terms. Using techniques from convex optimization and optimal transport, we analyze the FB scheme as a minimization algorithm on the Wasserstein space. More precisely, we show under mild assumptions that the FB scheme has convergence guarantees similar to the proximal gradient algorithm in Euclidean spaces (resp. similar to the associated Wasserstein gradient flow).

We consider the task of sampling with respect to a log concave probability distribution. The potential of the target distribution is assumed to be composite, i.e., written as the sum of a smooth convex term, and a nonsmooth convex term possibly taking infinite values. The target distribution can be seen as a minimizer of the Kullback-Leibler divergence defined on the Wasserstein space (i.e., the space of probability measures). In the first part of this paper, we establish a strong duality result for this minimization problem. In the second part of this paper, we use the duality gap arising from the first part to study the complexity of the Proximal Stochastic Gradient Langevin Algorithm (PSGLA), which can be seen as a generalization of the Projected Langevin Algorithm. Our approach relies on viewing PSGLA as a primal dual algorithm and covers many cases where the target distribution is not fully supported. In particular, we show that if the potential is strongly convex, the complexity of PSGLA is $\cO(1/\varepsilon^2)$ in terms of the 2-Wasserstein distance. In contrast, the complexity of the Projected Langevin Algorithm is $\cO(1/\varepsilon^{12})$ in terms of total variation when the potential is convex.

We construct a Wasserstein gradient flow of the maximum mean discrepancy (MMD) and study its convergence properties. The MMD is an integral probability metric defined for a reproducing kernel Hilbert space (RKHS), and serves as a metric on probability measures for a sufficiently rich RKHS. We obtain conditions for convergence of the gradient flow towards a global optimum, that can be related to particle transport when optimizing neural networks. We also propose a way to regularize this MMD flow, based on an injection of noise in the gradient. This algorithmic fix comes with theoretical and empirical evidence. The practical implementation of the flow is straightforward, since both the MMD and its gradient have simple closed-form expressions, which can be easily estimated with samples.

We propose a new algorithm---Stochastic Proximal Langevin Algorithm (SPLA)---for sampling from a log concave distribution. Our method is a generalization of the Langevin algorithm to potentials expressed as the sum of one stochastic smooth term and multiple stochastic nonsmooth terms. In each iteration, our splitting technique only requires access to a stochastic gradient of the smooth term and a stochastic proximal operator for each of the nonsmooth terms. We establish nonasymptotic sublinear and linear convergence rates under convexity and strong convexity of the smooth term, respectively, expressed in terms of the KL divergence and Wasserstein distance. We illustrate the efficiency of our sampling technique through numerical simulations on a Bayesian learning task.

The Douglas Rachford algorithm is an algorithm that converges to a minimizer of a sum of two convex functions. The algorithm consists in fixed point iterations involving computations of the proximity operators of the two functions separately. The paper investigates a stochastic version of the algorithm where both functions are random and the step size is constant. We establish that the iterates of the algorithm stay close to the set of solution with high probability when the step size is small enough. Application to structured regularization is considered.