Department of Statistics, University of Oxford（1 统计系，牛津大学）；Inria, CNRS, École Normale Supérieure, PSL Research University（2 Inria，法国国家科学研究中心，巴黎高等师范学院，PSL研究大学）；Department of Mathematical Sciences, University of Copenhagen（3 数学科学系，哥本哈根大学）
Kevin H. Lam, Tyler Farghly, Christopher Williams, Jun Yang, Yee Whye Teh, Arnaud Doucet
Sampling from score-based diffusion models incurs bias due to both time discretisation and the approximation of the score function. A common strategy for reducing this bias is to apply corrector steps based on the unadjusted Langevin algorithm (ULA) at each noise level within a predictor-corrector framework. However, ULA is itself a biased sampler, as it discretises a continuous diffusion process. In this work, we consider adjusted Langevin correctors that employ Metropolis--Hastings (MH) or Barker's accept-reject steps to correct for this bias. Since the target density ratio typically required by MH-based algorithms is unavailable, we propose methods that instead utilise the score function to compute the correct acceptance probability. We introduce the first exact method for adjusting Langevin corrections in diffusion models, based on a two-coin Bernoulli factory algorithm. We also propose an efficient approximation based on Simpson's rule that achieves accuracy of order $5/2$ in the step size at near-zero marginal cost. We demonstrate that these procedures improve sample quality on both synthetic and image datasets, yielding consistent gains in Fréchet Inception Distance (FID) on the latter.
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 $κ$, we show that MALA with a warm start mixes in $\tilde O(κ\sqrt{d})$ iterations up to logarithmic factors. This improves upon the previous work on the dependency of either the condition number $κ$ or the dimension $d$. Our proof relies on comparing the leapfrog integrator with …
We present a two-stage Metropolis-Hastings algorithm for sampling probabilistic models, whose log-likelihood is computationally expensive to evaluate, by using a surrogate Gaussian Process (GP) model. The key feature of the approach, and the difference w.r.t. previous works, is the ability to learn the target distribution from scratch (while sampling), and so without the need of pre-training the GP. This is fundamental for automatic and inference in Probabilistic Programming Languages In particular, we present an alternative first stage acceptance scheme by marginalising out the GP distributed…
Particle MCMC is a class of algorithms that can be used to analyse state-space models. They use MCMC moves to update the parameters of the models, and particle filters to propose values for the path of the state-space model. Currently the default is to use random walk Metropolis to update the parameter values. We show that it is possible to use information from the output of the particle filter to obtain better proposal distributions for the parameters. In particular it is possible to obtain estimates of the gradient of the log posterior from each run of the particle filter, and use these esti…
Czech Technical University in Prague（捷克布拉格技术大学）；SRI International（SRI国际公司）；University of California, San Diego（加州大学圣地亚哥分校）；DEVCOM Army Research Laboratory（美国陆军DEVCOM研究实验室）
Federated learning performed by a decentralized networks of agents is becoming increasingly important with the prevalence of embedded software on autonomous devices. Bayesian approaches to learning benefit from offering more information as to the uncertainty of a random quantity, and Langevin and Hamiltonian methods are effective at realizing sampling from an uncertain distribution with large parameter dimensions. Such methods have only recently appeared in the decentralized setting, and either exclusively use stochastic gradient Langevin and Hamiltonian Monte Carlo approaches that require a d…
This paper proposes a new sampling scheme based on Langevin dynamics that is applicable within pseudo-marginal and particle Markov chain Monte Carlo algorithms. We investigate this algorithm's theoretical properties under standard asymptotics, which correspond to an increasing dimension of the parameters, $n$. Our results show that the behaviour of the algorithm depends crucially on how accurately one can estimate the gradient of the log target density. If the error in the estimate of the gradient is not sufficiently controlled as dimension increases, then asymptotically there will be no advan…
The Langevin Markov chain algorithms are widely deployed methods to sample from distributions in challenging high-dimensional and non-convex statistics and machine learning applications. Despite this, current bounds for the Langevin algorithms are slower than those of competing algorithms in many important situations, for instance when sampling from weakly log-concave distributions, or when sampling or optimizing non-convex log-densities. In this paper, we obtain improved bounds in many of these situations, showing that the Metropolis-adjusted Langevin algorithm (MALA) is faster than the best …
We propose discrete Langevin proposal (DLP), a simple and scalable gradient-based proposal for sampling complex high-dimensional discrete distributions. In contrast to Gibbs sampling-based methods, DLP is able to update all coordinates in parallel in a single step and the magnitude of changes is controlled by a stepsize. This allows a cheap and efficient exploration in the space of high-dimensional and strongly correlated variables. We prove the efficiency of DLP by showing that the asymptotic bias of its stationary distribution is zero for log-quadratic distributions, and is small for distrib…
Facebook AI Research（Facebook人工智能研究院）；Tel-Aviv University（特拉维夫大学）
In this work, we show a novel method for neural machine translation (NMT), using a denoising diffusion probabilistic model (DDPM), adjusted for textual data, following recent advances in the field. We show that it's possible to translate sentences non-autoregressively using a diffusion model conditioned on the source sentence. We also show that our model is able to translate between pairs of languages unseen during training (zero-shot learning).
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 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 obtai…
We study the class of first-order locally-balanced Metropolis--Hastings algorithms introduced in Livingstone & Zanella (2021). To choose a specific algorithm within the class the user must select a balancing function $g:\mathbb{R} \to \mathbb{R}$ satisfying $g(t) = tg(1/t)$, and a noise distribution for the proposal increment. Popular choices within the class are the Metropolis-adjusted Langevin algorithm and the recently introduced Barker proposal. We first establish a universal limiting optimal acceptance rate of 57% and scaling of $n^{-1/3}$ as the dimension $n$ tends to infinity among all …
Oxford University（牛津大学）；University of Edinburgh（爱丁堡大学）
In this paper, we consider sampling from a class of distributions with thin tails supported on $\mathbb{R}^d$ and make two primary contributions. First, we propose a new Metropolized Algorithm With Optimization Step (MAO), which is well suited for such targets. Our algorithm is capable of sampling from distributions where the Metropolis-adjusted Langevin algorithm (MALA) is not converging or lacking in theoretical guarantees. Second, we derive upper bounds on the mixing time of MAO. Our results are supported by simulations on multiple target distributions.
Bayesian methods of sampling from a posterior distribution are becoming increasingly popular due to their ability to precisely display the uncertainty of a model fit. Classical methods based on iterative random sampling and posterior evaluation such as Metropolis-Hastings are known to have desirable long run mixing properties, however are slow to converge. Gradient based methods, such as Langevin Dynamics (and its stochastic gradient counterpart) exhibit favorable dimension-dependence and fast mixing times for log-concave, and "close" to log-concave distributions, however also have long escape…
