Many Markov Chain Monte Carlo (MCMC) methods leverage gradient information of the potential function of target distribution to explore sample space efficiently. However, computing gradients can often be computationally expensive for large scale applications, such as those in contemporary machine learning. Stochastic Gradient (SG-)MCMC methods approximate gradients by stochastic ones, commonly via uniformly subsampled data points, and achieve improved computational efficiency, however at the price of introducing sampling error. We propose a non-uniform subsampling scheme to improve the sampling accuracy. The proposed exponentially weighted stochastic gradient (EWSG) is designed so that a non-uniform-SG-MCMC method mimics the statistical behavior of a batch-gradient-MCMC method, and hence the inaccuracy due to SG approximation is reduced. EWSG differs from classical variance reduction (VR) techniques as it focuses on the entire distribution instead of just the variance; nevertheless, its reduced local variance is also proved. EWSG can also be viewed as an extension of the importance sampling idea, successful for stochastic-gradient-based optimizations, to sampling tasks. In our practical implementation of EWSG, the non-uniform subsampling is performed efficiently via a Metropolis-Hastings chain on the data index, which is coupled to the MCMC algorithm. Numerical experiments are provided, not only to demonstrate EWSG's effectiveness, but also to guide hyperparameter choices, and validate our \emph{non-asymptotic global error bound} despite of approximations in the implementation. Notably, while statistical accuracy is improved, convergence speed can be comparable to the uniform version, which renders EWSG a practical alternative to VR (but EWSG and VR can be combined too).
The rapid development of computing power and efficient Markov Chain Monte Carlo (MCMC) simulation algorithms have revolutionized Bayesian statistics, making it a highly practical inference method in applied work. However, MCMC algorithms tend to be computationally demanding, and are particularly slow for large datasets. Data subsampling has recently been suggested as a way to make MCMC methods scalable on massively large data, utilizing efficient sampling schemes and estimators from the survey sampling literature. These developments tend to be unknown by many survey statisticians who tradition…
We propose Subsampling MCMC, a Markov Chain Monte Carlo (MCMC) framework where the likelihood function for $n$ observations is estimated from a random subset of $m$ observations. We introduce a highly efficient unbiased estimator of the log-likelihood based on control variates, such that the computing cost is much smaller than that of the full log-likelihood in standard MCMC. The likelihood estimate is bias-corrected and used in two dependent pseudo-marginal algorithms to sample from a perturbed posterior, for which we derive the asymptotic error with respect to $n$ and $m$, respectively. We p…
Speeding up Markov Chain Monte Carlo (MCMC) for datasets with many observations by data subsampling has recently received considerable attention. A pseudo-marginal MCMC method is proposed that estimates the likelihood by data subsampling using a block-Poisson estimator. The estimator is a product of Poisson estimators, allowing us to update a single block of subsample indicators in each MCMC iteration so that a desired correlation is achieved between the logs of successive likelihood estimates. This is important since pseudo-marginal MCMC with positively correlated likelihood estimates can use…
Spectral subsampling MCMC was recently proposed to speed up Markov chain Monte Carlo (MCMC) for long stationary univariate time series by subsampling periodogram observations in the frequency domain. This article extends the approach to multivariate time series using a multivariate generalisation of the Whittle likelihood. To assess the computational gains from spectral subsampling in challenging problems, a multivariate generalisation of the autoregressive tempered fractionally integrated moving average model (ARTFIMA) is introduced and some of its properties derived. Bayesian inference based…
Bayesian inference using Markov Chain Monte Carlo (MCMC) on large datasets has developed rapidly in recent years. However, the underlying methods are generally limited to relatively simple settings where the data have specific forms of independence. We propose a novel technique for speeding up MCMC for time series data by efficient data subsampling in the frequency domain. For several challenging time series models, we demonstrate a speedup of up to two orders of magnitude while incurring negligible bias compared to MCMC on the full dataset. We also propose alternative control variates for var…
We propose a generic Markov Chain Monte Carlo (MCMC) algorithm to speed up computations for datasets with many observations. A key feature of our approach is the use of the highly efficient difference estimator from the survey sampling literature to estimate the log-likelihood accurately using only a small fraction of the data. Our algorithm improves on the $O(n)$ complexity of regular MCMC by operating over local data clusters instead of the full sample when computing the likelihood. The likelihood estimate is used in a Pseudo-marginal framework to sample from a perturbed posterior which is w…
Spectral subsampling MCMC for Lévy-driven continuous-time ARMA models with expensive likelihood contributions
Human Technology Institute, University of Technology Sydney（悉尼科技大学人类技术研究所）；School of Mathematical and Physical Sciences, University of Technology Sydney（悉尼科技大学数理科学学院）；School of Economics, University of New South Wales（新南威尔士大学经济管理学院）；Guanghua School of Management, Peking University（北京大学光华管理学院）
Markov Chain Monte Carlo (MCMC) requires to evaluate the full data likelihood at different parameter values iteratively and is often computationally infeasible for large data sets. In this paper, we propose to approximate the log-likelihood with subsamples taken according to nonuniform subsampling probabilities, and derive the most likely optimal (MLO) subsampling probabilities for better approximation. Compared with existing subsampled MCMC algorithm with equal subsampling probabilities, our MLO subsampled MCMC has a higher estimation efficiency with the same subsampling ratio. We also derive…
Target tracking faces the challenge in coping with large volumes of data which requires efficient methods for real time applications. The complexity considered in this paper is when there is a large number of measurements which are required to be processed at each time step. Sequential Markov chain Monte Carlo (MCMC) has been shown to be a promising approach to target tracking in complex environments, especially when dealing with clutter. However, a large number of measurements usually results in large processing requirements. This paper goes beyond the current state-of-the-art and presents a …
Variational inference is a powerful paradigm for approximate Bayesian inference with a number of appealing properties, including support for model learning and data subsampling. By contrast MCMC methods like Hamiltonian Monte Carlo do not share these properties but remain attractive since, contrary to parametric methods, MCMC is asymptotically unbiased. For these reasons researchers have sought to combine the strengths of both classes of algorithms, with recent approaches coming closer to realizing this vision in practice. However, supporting data subsampling in these hybrid methods can be a c…
The complexity of the Metropolis-Hastings (MH) algorithm arises from the requirement of a likelihood evaluation for the full data set in each iteration. Payne and Mallick (2015) propose to speed up the algorithm by a delayed acceptance approach where the acceptance decision proceeds in two stages. In the first stage, an estimate of the likelihood based on a random subsample determines if it is likely that the draw will be accepted and, if so, the second stage uses the full data likelihood to decide upon final acceptance. Evaluating the full data likelihood is thus avoided for draws that are un…
Probabilistic programming languages can simplify the development of machine learning techniques, but only if inference is sufficiently scalable. Unfortunately, Bayesian parameter estimation for highly coupled models such as regressions and state-space models still scales poorly; each MCMC transition takes linear time in the number of observations. This paper describes a sublinear-time algorithm for making Metropolis-Hastings (MH) updates to latent variables in probabilistic programs. The approach generalizes recently introduced approximate MH techniques: instead of subsampling data items assum…
Stabilised weighted data subsampling for accelerated Bayesian inference in models with recursive likelihoods
University of Technology Sydney（悉尼科技大学）；University of New South Wales（新南威尔士大学）；Human Technology Institute, University of Technology Sydney（悉尼科技大学人类技术研究所）
Markov chain Monte Carlo (MCMC) algorithms are generally regarded as the gold standard technique for Bayesian inference. They are theoretically well-understood and conceptually simple to apply in practice. The drawback of MCMC is that in general performing exact inference requires all of the data to be processed at each iteration of the algorithm. For large data sets, the computational cost of MCMC can be prohibitive, which has led to recent developments in scalable Monte Carlo algorithms that have a significantly lower computational cost than standard MCMC. In this paper, we focus on a partic…
In big data context, traditional MCMC methods, such as Metropolis-Hastings algorithms and hybrid Monte Carlo, scale poorly because of their need to evaluate the likelihood over the whole data set at each iteration. In order to resurrect MCMC methods, numerous approaches belonging to two categories: divide-and-conquer and subsampling, are proposed. In this article, we study the parallel MCMC and propose a new combination method in the divide-and-conquer framework. Compared with some parallel MCMC methods, such as consensus Monte Carlo, Weierstrass Sampler, instead of sampling from subposteriors…
Performing exact Bayesian inference for complex models is computationally intractable. Markov chain Monte Carlo (MCMC) algorithms can provide reliable approximations of the posterior distribution but are expensive for large datasets and high-dimensional models. A standard approach to mitigate this complexity consists in using subsampling techniques or distributing the data across a cluster. However, these approaches are typically unreliable in high-dimensional scenarios. We focus here on a recent alternative class of MCMC schemes exploiting a splitting strategy akin to the one used by the cele…
University of Cambridge（剑桥大学）；Dartmouth College（达特茅斯学院）
We propose a novel approximate inference algorithm that approximates a target distribution by amortising the dynamics of a user-selected MCMC sampler. The idea is to initialise MCMC using samples from an approximation network, apply the MCMC operator to improve these samples, and finally use the samples to update the approximation network thereby improving its quality. This provides a new generic framework for approximate inference, allowing us to deploy highly complex, or implicitly defined approximation families with intractable densities, including approximations produced by warping a sourc…
This paper introduces a framework for speeding up Bayesian inference conducted in presence of large datasets. We design a Markov chain whose transition kernel uses an (unknown) fraction of (fixed size) of the available data that is randomly refreshed throughout the algorithm. Inspired by the Approximate Bayesian Computation (ABC) literature, the subsampling process is guided by the fidelity to the observed data, as measured by summary statistics. The resulting algorithm, Informed Sub-Sampling MCMC (ISS-MCMC), is a generic and flexible approach which, contrary to existing scalable methodologies…
We focus on generative autoencoders, such as variational or adversarial autoencoders, which jointly learn a generative model alongside an inference model. Generative autoencoders are those which are trained to softly enforce a prior on the latent distribution learned by the inference model. We call the distribution to which the inference model maps observed samples, the learned latent distribution, which may not be consistent with the prior. We formulate a Markov chain Monte Carlo (MCMC) sampling process, equivalent to iteratively decoding and encoding, which allows us to sample from the learn…
Existing Markov Chain Monte Carlo (MCMC) methods are either based on general-purpose and domain-agnostic schemes which can lead to slow convergence, or hand-crafting of problem-specific proposals by an expert. We propose A-NICE-MC, a novel method to train flexible parametric Markov chain kernels to produce samples with desired properties. First, we propose an efficient likelihood-free adversarial training method to train a Markov chain and mimic a given data distribution. Then, we leverage flexible volume preserving flows to obtain parametric kernels for MCMC. Using a bootstrap approach, we sh…
Bayesian max-margin models have shown superiority in various practical applications, such as text categorization, collaborative prediction, social network link prediction and crowdsourcing, and they conjoin the flexibility of Bayesian modeling and predictive strengths of max-margin learning. However, Monte Carlo sampling for these models still remains challenging, especially for applications that involve large-scale datasets. In this paper, we present the stochastic subgradient Hamiltonian Monte Carlo (HMC) methods, which are easy to implement and computationally efficient. We show the approxi…
I show how any reversible Markov chain on a finite state space that is irreducible, and hence suitable for estimating expectations with respect to its invariant distribution, can be used to construct a non-reversible Markov chain on a related state space that can also be used to estimate these expectations, with asymptotic variance at least as small as that using the reversible chain (typically smaller). The non-reversible chain achieves this improvement by avoiding (to the extent possible) transitions that backtrack to the state from which the chain just came. The proof that this modification…
Toyota Technological Institute at Chicago（芝加哥丰田理工学院）；Purdue University（普渡大学）
We propose a Las Vegas transformation of Markov Chain Monte Carlo (MCMC) estimators of Restricted Boltzmann Machines (RBMs). We denote our approach Markov Chain Las Vegas (MCLV). MCLV gives statistical guarantees in exchange for random running times. MCLV uses a stopping set built from the training data and has maximum number of Markov chain steps K (referred as MCLV-K). We present a MCLV-K gradient estimator (LVS-K) for RBMs and explore the correspondence and differences between LVS-K and Contrastive Divergence (CD-K), with LVS-K significantly outperforming CD-K training RBMs over the MNIST d…
We present a new way of converting a reversible finite Markov chain into a non-reversible one, with a theoretical guarantee that the asymptotic variance of the MCMC estimator based on the non-reversible chain is reduced. The method is applicable to any reversible chain whose states are not connected through a tree, and can be interpreted graphically as inserting vortices into the state transition graph. Our result confirms that non-reversible chains are fundamentally better than reversible ones in terms of asymptotic performance, and suggests interesting directions for further improving MCMC.
Sampling from posterior distributions using Markov chain Monte Carlo (MCMC) methods can require an exhaustive number of iterations, particularly when the posterior is multi-modal as the MCMC sampler can become trapped in a local mode for a large number of iterations. In this paper, we introduce the pseudo-extended MCMC method as a simple approach for improving the mixing of the MCMC sampler for multi-modal posterior distributions. The pseudo-extended method augments the state-space of the posterior using pseudo-samples as auxiliary variables. On the extended space, the modes of the posterior a…
Markov Chain Monte Carlo (MCMC) sampling methods are widely used but often encounter either slow convergence or biased sampling when applied to multimodal high dimensional distributions. In this paper, we present a general framework of improving classical MCMC samplers by employing a global optimization method. The global optimization method first reduces a high dimensional search to an one dimensional geodesic to find a starting point close to a local mode. The search is accelerated and completed by using a local search method such as BFGS. We modify the target distribution by extracting a lo…
The recent introduction of thermodynamic integration techniques has provided a new framework for understanding and improving variational inference (VI). In this work, we present a careful analysis of the thermodynamic variational objective (TVO), bridging the gap between existing variational objectives and shedding new insights to advance the field. In particular, we elucidate how the TVO naturally connects the three key variational schemes, namely the importance-weighted VI, Renyi-VI, and MCMC-VI, which subsumes most VI objectives employed in practice. To explain the performance gap between t…
Variational Autoencoder for Generating Broader-Spectrum prior Proposals in Markov chain Monte Carlo Methods
Department One（部门一）；Department Two（部门二）；National Laboratory for Scientific Computing（国家科学计算实验室）；Department of Mathematical Sciences, The University of Texas at Dallas（数学科学系，德克萨斯大学达拉斯分校）
Performing Bayesian inference via Markov chain Monte Carlo (MCMC) can be exceedingly expensive when posterior evaluations invoke the evaluation of a computationally expensive model, such as a system of partial differential equations. In recent work [Conrad et al. JASA 2016, arXiv:1402.1694], we described a framework for constructing and refining local approximations of such models during an MCMC simulation. These posterior--adapted approximations harness regularity of the model to reduce the computational cost of inference while preserving asymptotic exactness of the Markov chain. Here we desc…
The R package MfUSampler provides Monte Carlo Markov Chain machinery for generating samples from multivariate probability distributions using univariate sampling algorithms such as Slice Sampler and Adaptive Rejection Sampler. The sampler function performs a full cycle of univariate sampling steps, one coordinate at a time. In each step, the latest sample values obtained for other coordinates are used to form the conditional distributions. The concept is an extension of Gibbs sampling where each step involves, not an independent sample from the conditional distribution, but a Markov transition…
Bayesian inference in state-space models is challenging due to high-dimensional state trajectories. A viable approach is particle Markov chain Monte Carlo, combining MCMC and sequential Monte Carlo to form "exact approximations" to otherwise intractable MCMC methods. The performance of the approximation is limited to that of the exact method. We focus on particle Gibbs and particle Gibbs with ancestor sampling, improving their performance beyond that of the underlying Gibbs sampler (which they approximate) by marginalizing out one or more parameters. This is possible when the parameter prior i…
Improving Mutual Information Estimation with Annealed and Energy-Based Bounds
Information Sciences Institute, University of Southern California（南加州大学信息科学研究所）；Vector Institute（向量研究所）；University of Toronto（多伦多大学）；MIT EECS / IMES / CSAIL（麻省理工学院电气工程与计算机科学系 / 医学工程与科学研究所 / 计算机科学与人工智能实验室）
Sample-based Bayesian inference provides a route to uncertainty quantification in the geosciences, and inverse problems in general, though is very computationally demanding in the naive form that requires simulating an accurate computer model at each iteration. We present a new approach that constructs a stochastic correction to the error induced by a reduced model, with the correction improving as the algorithm proceeds. This enables sampling from the correct target distribution at reduced computational cost per iteration, as in existing delayed-acceptance schemes, while avoiding appreciable …
Improving Protein Optimization with Smoothed Fitness Landscapes
Massachusetts Institute of Technology（麻省理工学院）；Czech Academy of Sciences（捷克科学院）；Czech Technical University in Prague（捷克布拉格技术大学）；University of Chemistry and Technology, Prague（布拉格化学与技术大学）
Helsinki Institute for Information Technology (HIIT)（赫尔辛基信息技术研究所）；University of Helsinki（赫尔辛基大学）
Many machine learning applications are based on data collected from people, such as their tastes and behaviour as well as biological traits and genetic data. Regardless of how important the application might be, one has to make sure individuals' identities or the privacy of the data are not compromised in the analysis. Differential privacy constitutes a powerful framework that prevents breaching of data subject privacy from the output of a computation. Differentially private versions of many important Bayesian inference methods have been proposed, but there is a lack of an efficient unified ap…
This paper introduces Tree-Pyramidal Adaptive Importance Sampling (TP-AIS), a novel iterated sampling method that outperforms state-of-the-art approaches like deterministic mixture population Monte Carlo (DM-PMC), mixture population Monte Carlo (M-PMC) and layered adaptive importance sampling (LAIS). TP-AIS iteratively builds a proposal distribution parameterized by a tree pyramid, where each tree leaf spans a subspace that represents its importance density. After each new sample operation, a set of tree leaves are subdivided for improving the approximation of the proposal distribution to the …
Data-driven discovery of differential equations has been an emerging research topic. We propose a novel algorithm subsampling-based threshold sparse Bayesian regression (SubTSBR) to tackle high noise and outliers. The subsampling technique is used for improving the accuracy of the Bayesian learning algorithm. It has two parameters: subsampling size and the number of subsamples. When the subsampling size increases with fixed total sample size, the accuracy of our algorithm goes up and then down. When the number of subsamples increases, the accuracy of our algorithm keeps going up. We demonstrat…
Télécom ParisTech, Université Paris-Saclay（巴黎高科电信学院，巴黎-萨克雷大学）；Image Processing Laboratory (IPL), Universitat de Valencia（图像处理实验室，瓦伦西亚大学）；Universidad Carlos III de Madrid（马德里卡洛斯三世大学）
Monte Carlo methods are essential tools for Bayesian inference. Gibbs sampling is a well-known Markov chain Monte Carlo (MCMC) algorithm, extensively used in signal processing, machine learning, and statistics, employed to draw samples from complicated high-dimensional posterior distributions. The key point for the successful application of the Gibbs sampler is the ability to draw efficiently samples from the full-conditional probability density functions. Since in the general case this is not possible, in order to speed up the convergence of the chain, it is required to generate auxiliary sam…
