Abstract We analyze the hit-and-run algorithm for sampling uniformly from an isotropic convex body K in n dimensions. We show that the algorithm mixes in $$\epsilon $$ ϵ -total variation error with $$O_\epsilon (n^2/ \psi _n^2)$$ O ϵ ( n 2 / ψ n 2 ) steps, where $$\psi _n$$ ψ n is the smallest isoperimetric constant for any isotropic logconcave distribution, also known as the Kannan-Lovasz-Simonovits (KLS) constant [19]. Our bound improves upon previous bounds of the form $$O_\epsilon (n^2 R^2/r^2)$$ O ϵ ( n 2 R 2 / r 2 ) , which depend on the ratio R / r of the radii of the circumscribed and inscribed balls of K , gaining a factor of n in the case of isotropic convex bodies. Consequently, our result gives a mixing time estimate for the hit-and-run which matches the state-of-the-art bounds for the ball walk. Our main proof technique is based on an annealing of localization schemes introduced in Chen and Eldan [7], which allows us to reduce the problem to the analysis of the mixing time on truncated Gaussian distributions.

We study sampling from logconcave distributions truncated on polytopes, motivated by Bayesian models with indicator variables. Built on interior point methods and the Dikin walk, we analyze the mixing time of regularized Dikin walks. Our contributions include: (1) proving that the soft-threshold Dikin walk mixes in $\widetilde{O}(mn+\kappa n)$ iterations for logconcave distributions with condition number $\kappa$, dimension $n$ and $m$ linear constraints, without requiring bounded polytopes. Moreover, we introduce the regularized Dikin walk using Lewis weights and show it mixes in $\widetilde{O}(n^{2.5}+\kappa n)$; (2) extending the above mixing time guarantees to weakly log-concave truncated distributions with finite covariance matrices; and (3) going beyond worst-case mixing time analysis, we show that soft-threshold Dikin walk mixes significantly faster when $O(1)$ number of constraints intersect the high-probability mass of the distribution, improving the $\widetilde{O}(mn+\kappa n)$ upper bound to $\widetilde{O}(m + \kappa n)$. Additionally, we provide practical implementation to generate a warm initialization.

Domain adaptation (DA) is a statistical learning problem that arises when the distribution of the source data used to train a model differs from that of the target data used to evaluate the model. While many DA algorithms have demonstrated considerable empirical success, blindly applying these algorithms can often lead to worse performance on new datasets. To address this, it is crucial to clarify the assumptions under which a DA algorithm has good target performance. In this work, we focus on the assumption of the presence of conditionally invariant components (CICs), which are relevant for prediction and remain conditionally invariant across the source and target data. We demonstrate that CICs, which can be estimated through conditional invariant penalty (CIP), play three prominent roles in providing target risk guarantees in DA. First, we propose a new algorithm based on CICs, importance-weighted conditional invariant penalty (IW-CIP), which has target risk guarantees beyond simple settings such as covariate shift and label shift. Second, we show that CICs help identify large discrepancies between source and target risks of other DA algorithms. Finally, we demonstrate that incorporating CICs into the domain invariant projection (DIP) algorithm can address its failure scenario caused by label-flipping features. We support our new algorithms and theoretical findings via numerical experiments on synthetic data, MNIST, CelebA, Camelyon17, and DomainNet datasets.

Two recent and seemingly-unrelated techniques for proving mixing bounds for Markov chains are: (i) the framework of Spectral Independence, introduced by Anari, Liu and Oveis Gharan, and its numerous extensions, which have given rise to several breakthroughs in the analysis of mixing times of discrete Markov chains and (ii) the Stochastic Localization technique which has proven useful in establishing mixing and expansion bounds for both log-concave measures and for measures on the discrete hypercube. In this paper, we introduce a framework which connects ideas from both techniques. Our framework unifies, simplifies and extends those two techniques. In its center is the concept of a “localization scheme” which, to every probability measure on some space $\Omega$, assigns a martingale of probability measures which “localize” in space as time evolves. As it turns out, to every such scheme corresponds a Markov chain, and many chains of interest appear naturally in this framework. This viewpoint provides tools for deriving mixing bounds for the dynamics through the analysis of the corresponding localization process. Generalizations of concepts of Spectral Independence and Entropic Independence naturally arise from our definitions, and in particular we recover the main theorems in the spectral and entropic independence frameworks via simple martingale arguments (completely bypassing the need to use the theory of high-dimensional expanders). We demonstrate the strength of our proposed machinery by giving short and (arguably) simpler proofs to many mixing bounds in the recent literature. In particular, we: (i) Give the first O(n log n) bound for mixing time of the hardcore-model (of arbitrary degree) in the tree-uniqueness regime, under Glauber dynamics, (ii) Give the first optimal mixing bounds for Ising models in the uniqueness regime under any external fields, (iii) Prove a KL-divergence decay bound for log-concave sampling via the Restricted Gaussian Oracle, which achieves optimal mixing under any exp (n)-ivarm start, (iv) Prove a logarithmic-Sobolev inequality for near-critical Ferromagnetic Ising models, recovering in a simple way a variant of a recent result by Bauerschmidt and Dagallier.

We study the mixing time of the Metropolis-adjusted Langevin algorithm (MALA) for sampling from a log-smooth and strongly log-concave distribution. We establish its optimal minimax mixing time under a warm start. Our main contribution is two-fold. First, for a $d$-dimensional log-concave density with condition number $\kappa$, we show that MALA with a warm start mixes in $\tilde O(\kappa \sqrt{d})$ iterations up to logarithmic factors. This improves upon the previous work on the dependency of either the condition number $\kappa$ or the dimension $d$. Our proof relies on comparing the leapfrog integrator with the continuous Hamiltonian dynamics, where we establish a new concentration bound for the acceptance rate. Second, we prove a spectral gap based mixing time lower bound for reversible MCMC algorithms on general state spaces. We apply this lower bound result to construct a hard distribution for which MALA requires at least $\tilde\Omega(\kappa \sqrt{d})$ steps to mix. The lower bound for MALA matches our upper bound in terms of condition number and dimension. Finally, numerical experiments are included to validate our theoretical results.

Domain adaptation (DA) arises as an important problem in statistical machine learning when the source data used to train a model is different from the target data used to test the model. Recent advances in DA have mainly been application-driven and have largely relied on the idea of a common subspace for source and target data. To understand the empirical successes and failures of DA methods, we propose a theoretical framework via structural causal models that enables analysis and comparison of the prediction performance of DA methods. This framework also allows us to itemize the assumptions needed for the DA methods to have a low target error. Additionally, with insights from our theory, we propose a new DA method called CIRM that outperforms existing DA methods when both the covariates and label distributions are perturbed in the target data. We complement the theoretical analysis with extensive simulations to show the necessity of the devised assumptions. Reproducible synthetic and real data experiments are also provided to illustrate the strengths and weaknesses of DA methods when parts of the assumptions in our theory are violated.

Hamiltonian Monte Carlo (HMC) is a state-of-the-art Markov chain Monte Carlo sampling algorithm for drawing samples from smooth probability densities over continuous spaces. We study the variant most widely used in practice, Metropolized HMC with the Stormer-Verlet or leapfrog integrator, and make two primary contributions. First, we provide a non-asymptotic upper bound on the mixing time of the Metropolized HMC with explicit choices of step-size and number of leapfrog steps. This bound gives a precise quantification of the faster convergence of Metropolized HMC relative to simpler MCMC algorithms such as the Metropolized random walk, or Metropolized Langevin algorithm. Second, we provide a general framework for sharpening mixing time bounds of Markov chains initialized at a substantial distance from the target distribution over continuous spaces. We apply this sharpening device to the Metropolized random walk and Langevin algorithms, thereby obtaining improved mixing time bounds from a non-warm initial distribution.

We study the problem of sampling from a strongly log-concave density supported on $\mathbb{R}^d$, and prove a non-asymptotic upper bound on the mixing time of the Metropolis-adjusted Langevin algorithm (MALA). The method draws samples by simulating a Markov chain obtained from the discretization of an appropriate Langevin diffusion, combined with an accept-reject step. Relative to known guarantees for the unadjusted Langevin algorithm (ULA), our bounds show that the use of an accept-reject step in MALA leads to an exponentially improved dependence on the error-tolerance. Concretely, in order to obtain samples with TV error at most $\delta$ for a density with condition number $\kappa$, we show that MALA requires $\mathcal{O} (\kappa d \log(1/\delta) )$ steps from a warm start, as compared to the $\mathcal{O} (\kappa^2 d/\delta^2 )$ steps established in past work on ULA. We also demonstrate the gains of a modified version of MALA over ULA for weakly log-concave densities. Furthermore, we derive mixing time bounds for the Metropolized random walk (MRW) and obtain $\mathcal{O}(\kappa)$ mixing time slower than MALA. We provide numerical examples that support our theoretical findings, and demonstrate the benefits of Metropolis-Hastings adjustment for Langevin-type sampling algorithms.

We consider the problem of sampling from a strongly log-concave density in $\mathbb{R}^d$, and prove a non-asymptotic upper bound on the mixing time of the Metropolis-adjusted Langevin algorithm (MALA). The method draws samples by running a Markov chain obtained from the discretization of an appropriate Langevin diffusion, combined with an accept-reject step to ensure the correct stationary distribution. Relative to known guarantees for the unadjusted Langevin algorithm (ULA), our bounds reveal that the use of an accept-reject step in MALA leads to an exponentially improved dependence on the error-tolerance. Concretely, in order to obtain samples with TV error at most $\delta$ for a density with condition number $\kappa$, we show that MALA requires $\mathcal{O} \big(\kappa d \log(1/\delta) \big)$ steps, as compared to the $\mathcal{O} \big(\kappa^2 d/\delta^2 \big)$ steps established in past work on ULA. We also demonstrate the gains of MALA over ULA for weakly log-concave densities. Furthermore, we derive mixing time bounds for a zeroth-order method Metropolized random walk (MRW) and show that it mixes $\mathcal{O}(\kappa d)$ slower than MALA.

We propose and analyze two new MCMC sampling algorithms, the Vaidya walk and the John walk, for generating samples from the uniform distribution over a polytope. Both random walks are sampling algorithms derived from interior point methods. The former is based on volumetric-logarithmic barrier introduced by Vaidya whereas the latter uses John's ellipsoids. We show that the Vaidya walk mixes in significantly fewer steps than the logarithmic-barrier based Dikin walk studied in past work. For a polytope in $\mathbb{R}^d$ defined by $n > d$ linear constraints, we show that the mixing time from a warm start is bounded as $\mathcal{O}(n^{0.5}d^{1.5})$, compared to the $\mathcal{O}(nd)$ mixing time bound for the Dikin walk. The cost of each step of the Vaidya walk is of the same order as the Dikin walk, and at most twice as large in terms of constant pre-factors. For the John walk, we prove an $\mathcal{O}(d^{2.5}\cdot\log^4(n/d))$ bound on its mixing time and conjecture that an improved variant of it could achieve a mixing time of $\mathcal{O}(d^{2}\cdot\text{poly-log}(n/d))$. Additionally, we propose variants of the Vaidya and John walks that mix in polynomial time from a deterministic starting point. The speed-up of the Vaidya walk over the Dikin walk are illustrated in numerical examples.

We revisit a pioneer unsupervised learning technique called archetypal analysis, [5] which is related to successful data analysis methods such as sparse coding [18] and non-negative matrix factorization [19]. Since it was proposed, archetypal analysis did not gain a lot of popularity even though it produces more interpretable models than other alternatives. Because no efficient implementation has ever been made publicly available, its application to important scientific problems may have been severely limited. Our goal is to bring back into favour archetypal analysis. We propose a fast optimization scheme using an active-set strategy, and provide an efficient open-source implementation interfaced with Matlab, R, and Python. Then, we demonstrate the usefulness of archetypal analysis for computer vision tasks, such as codebook learning, signal classification, and large image collection visualization.