The methodology developed in this article is motivated by a wide range of prediction and uncertainty quantification problems that arise in Statistics, Machine Learning and Applied Mathematics, such as non-parametric regression, multi-class classification and inversion of partial differential equations. One popular formulation of such problems is as Bayesian inverse problems, where a prior distribution is used to regularize inference on a high-dimensional latent state, typically a function or a field. It is common that such priors are non-Gaussian, for example piecewise-constant or heavy-tailed, and/or hierarchical, in the sense of involving a further set of low-dimensional parameters, which, for example, control the scale or smoothness of the latent state. In this formulation prediction and uncertainty quantification relies on efficient exploration of the posterior distribution of latent states and parameters. This article introduces a framework for efficient MCMC sampling in Bayesian inverse problems that capitalizes upon two fundamental ideas in MCMC, non-centred parameterisations of hierarchical models and dimension-robust samplers for latent Gaussian processes. Using a range of diverse applications we showcase that the proposed framework is dimension-robust, that is, the efficiency of the MCMC sampling does not deteriorate as the dimension of the latent state gets higher. We showcase the full potential of the machinery we develop in the article in semi-supervised multi-class classification, where our sampling algorithm is used within an active learning framework to guide the selection of input data to manually label in order to achieve high predictive accuracy with a minimal number of labelled data.
Kernel methods have revolutionized the fields of pattern recognition and machine learning. Their success, however, critically depends on the choice of kernel parameters. Using Gaussian process (GP) classification as a working example, this paper focuses on Bayesian inference of covariance (kernel) parameters using Markov chain Monte Carlo (MCMC) methods. The motivation is that, compared to standard optimization of kernel parameters, they have been systematically demonstrated to be superior in quantifying uncertainty in predictions. Recently, the Pseudo-Marginal MCMC approach has been proposed …
We explore the application of a nonlinear MCMC technique first introduced in [1] to problems in Bayesian machine learning. We provide a convergence guarantee in total variation that uses novel results for long-time convergence and large-particle ("propagation of chaos") convergence. We apply this nonlinear MCMC technique to sampling problems including a Bayesian neural network on CIFAR10.
Gatsby Computational Neuroscience Unit（盖比计算神经科学单元）；University College London（伦敦大学学院）
Markov jump processes and continuous time Bayesian networks are important classes of continuous time dynamical systems. In this paper, we tackle the problem of inferring unobserved paths in these models by introducing a fast auxiliary variable Gibbs sampler. Our approach is based on the idea of uniformization, and sets up a Markov chain over paths by sampling a finite set of virtual jump times and then running a standard hidden Markov model forward filtering-backward sampling algorithm over states at the set of extant and virtual jump times. We demonstrate significant computational benefits ov…
Cornell University（康奈尔大学）；Microsoft Research（微软研究院）；Duke University（杜克大学）；University at Buffalo, SUNY（纽约州立大学布法罗分校）；New York University（纽约大学）
The posteriors over neural network weights are high dimensional and multimodal. Each mode typically characterizes a meaningfully different representation of the data. We develop Cyclical Stochastic Gradient MCMC (SG-MCMC) to automatically explore such distributions. In particular, we propose a cyclical stepsize schedule, where larger steps discover new modes, and smaller steps characterize each mode. We also prove non-asymptotic convergence of our proposed algorithm. Moreover, we provide extensive experimental results, including ImageNet, to demonstrate the scalability and effectiveness of cyc…
Using posterior distribution of Bayesian LASSO we construct a semi-norm on the parameter space. We show that the partition function depends on the ratio of the l1 and l2 norms and present three regimes. We derive the concentration of Bayesian LASSO, and present MCMC convergence diagnosis.
Using posterior distribution of Bayesian LASSO we construct a semi-norm on the parameter space. We show that the partition function depends on the ratio of the l 1 and l 2 norms and present three regimes. We derive the con- centration of Bayesian LASSO, and present MCMC convergence diagnosis. Keywords: LASSO, Bayes, MCMC, log-concave, geometry, incomplete Gamma function
This paper proposes a new randomized strategy for adaptive MCMC using Bayesian optimization. This approach applies to non-differentiable objective functions and trades off exploration and exploitation to reduce the number of potentially costly objective function evaluations. We demonstrate the strategy in the complex setting of sampling from constrained, discrete and densely connected probabilistic graphical models where, for each variation of the problem, one needs to adjust the parameters of the proposal mechanism automatically to ensure efficient mixing of the Markov chains.
The University of Sydney（悉尼大学）；JD Explore Academy（京东探索研究院）
The right to be forgotten has been legislated in many countries, but its enforcement in the AI industry would cause unbearable costs. When single data deletion requests come, companies may need to delete the whole models learned with massive resources. Existing works propose methods to remove knowledge learned from data for explicitly parameterized models, which however are not appliable to the sampling-based Bayesian inference, i.e., Markov chain Monte Carlo (MCMC), as MCMC can only infer implicit distributions. In this paper, we propose the first machine unlearning algorithm for MCMC. We fir…
Helsinki Institute for Information Technology HIIT（赫尔辛基信息技术研究所HIIT）；University of Helsinki（赫尔辛基大学）
We present a new Markov chain Monte Carlo method for estimating posterior probabilities of structural features in Bayesian networks. The method draws samples from the posterior distribution of partial orders on the nodes; for each sampled partial order, the conditional probabilities of interest are computed exactly. We give both analytical and empirical results that suggest the superiority of the new method compared to previous methods, which sample either directed acyclic graphs or linear orders on the nodes.
Differentially private mechanisms protect privacy by introducing additional randomness into the data. Restricting access to only the privatized data makes it challenging to perform valid statistical inference on parameters underlying the confidential data. Specifically, the likelihood function of the privatized data requires integrating over the large space of confidential databases and is typically intractable. For Bayesian analysis, this results in a posterior distribution that is doubly intractable, rendering traditional MCMC techniques inapplicable. We propose an MCMC framework to perform …
We address the inverse problem for the mean-field Ising model with two- and three-body interactions using a Bayesian framework. Parameter recovery in this setting is notoriously difficult, particularly near phase transitions, at criticality, and under non-identifiability, where conventional estimators and standard MCMC samplers fail. To overcome these challenges, we develop a hybrid algorithm that combines Adaptive Metropolis Hastings with geometry-aware Riemannian manifold Hamiltonian dynamics. This approach yields substantially improved mixing and convergence in the three-dimensional paramet…
Bayesian learning in undirected graphical models|computing posterior distributions over parameters and predictive quantities is exceptionally difficult. We conjecture that for general undirected models, there are no tractable MCMC (Markov Chain Monte Carlo) schemes giving the correct equilibrium distribution over parameters. While this intractability, due to the partition function, is familiar to those performing parameter optimisation, Bayesian learning of posterior distributions over undirected model parameters has been unexplored and poses novel challenges. we propose several approximate MC…
Bayesian low-rank matrix factorization techniques have become an essential tool for relational data analysis and matrix completion. A standard approach is to assign zero-mean Gaussian priors on the columns or rows of factor matrices to create a conjugate system. This choice of prior leads to simple implementations; however it also causes symmetries in the posterior distribution that can severely reduce the efficiency of Markov-chain Monte-Carlo (MCMC) sampling approaches. In this paper, we propose a simple modification to the prior choice that provably breaks these symmetries and maintains/imp…
The R package BiDAG implements Markov chain Monte Carlo (MCMC) methods for structure learning and sampling of Bayesian networks. The package includes tools to search for a maximum a posteriori (MAP) graph and to sample graphs from the posterior distribution given the data. A new hybrid approach to structure learning enables inference in large graphs. In the first step, we define a reduced search space by means of the PC algorithm or based on prior knowledge. In the second step, an iterative order MCMC scheme proceeds to optimize within the restricted search space and estimate the MAP graph. Sa…
University at Buffalo（布法罗大学）；Duke University（杜克大学）
There has been recent interest in developing scalable Bayesian sampling methods such as stochastic gradient MCMC (SG-MCMC) and Stein variational gradient descent (SVGD) for big-data analysis. A standard SG-MCMC algorithm simulates samples from a discrete-time Markov chain to approximate a target distribution, thus samples could be highly correlated, an undesired property for SG-MCMC. In contrary, SVGD directly optimizes a set of particles to approximate a target distribution, and thus is able to obtain good approximations with relatively much fewer samples. In this paper, we propose a principl…
We propose Macau, a powerful and flexible Bayesian factorization method for heterogeneous data. Our model can factorize any set of entities and relations that can be represented by a relational model, including tensors and also multiple relations for each entity. Macau can also incorporate side information, specifically entity and relation features, which are crucial for predicting sparsely observed relations. Macau scales to millions of entity instances, hundred millions of observations, and sparse entity features with millions of dimensions. To achieve the scale up, we specially designed sam…
MCMC methods for sampling from the space of DAGs can mix poorly due to the local nature of the proposals that are commonly used. It has been shown that sampling from the space of node orders yields better results [FK03, EW06]. Recently, Koivisto and Sood showed how one can analytically marginalize over orders using dynamic programming (DP) [KS04, Koi06]. Their method computes the exact marginal posterior edge probabilities, thus avoiding the need for MCMC. Unfortunately, there are four drawbacks to the DP technique: it can only use modular priors, it can only compute posteriors over modular fe…
Repulsive mixture models have recently gained popularity for Bayesian cluster detection. Compared to more traditional mixture models, repulsive mixture models produce a smaller number of well separated clusters. The most commonly used methods for posterior inference either require to fix a priori the number of components or are based on reversible jump MCMC computation. We present a general framework for mixture models, when the prior of the `cluster centres' is a finite repulsive point process depending on a hyperparameter, specified by a density which may depend on an intractable normalizing…
Due to the escalating growth of big data sets in recent years, new Bayesian Markov chain Monte Carlo (MCMC) parallel computing methods have been developed. These methods partition large data sets by observations into subsets. However, for Bayesian nested hierarchical models, typically only a few parameters are common for the full data set, with most parameters being group-specific. Thus, parallel Bayesian MCMC methods that take into account the structure of the model and split the full data set by groups rather than by observations are a more natural approach for analysis. Here, we adapt and e…
In this paper we take up Bayesian inference in general multivariate stable distributions. We exploit the representation of Matsui and Takemura (2009) for univariate projections, and the representation of the distributions in terms of their spectral measure. We present efficient MCMC schemes to perform the computations when the spectral measure is approximated discretely or, as we propose, by a normal distribution. Appropriate latent variables are introduced to implement MCMC. In relation to the discrete approximation, we propose efficient computational schemes based on the characteristic funct…
Considering parallel tempering and comparing post-treatment procedures in Bayesian Profile Regression Models for a survival outcome and correlated exposures
Autorité de Sûreté Nucléaire et de Radioprotection (ASNR)（核安全与辐射防护局）；PSE-SANTE/SESANE/LEPID；Université Paris Cité（巴黎西岱大学）；CNRS, Inserm, P-MIM, BioSTM（法国国家科学研究中心、INSERM、P-MIM、BioSTM）
Learning in deep models using Bayesian methods has generated significant attention recently. This is largely because of the feasibility of modern Bayesian methods to yield scalable learning and inference, while maintaining a measure of uncertainty in the model parameters. Stochastic gradient MCMC algorithms (SG-MCMC) are a family of diffusion-based sampling methods for large-scale Bayesian learning. In SG-MCMC, multivariate stochastic gradient thermostats (mSGNHT) augment each parameter of interest, with a momentum and a thermostat variable to maintain stationary distributions as target poster…
We study the problem of sampling from the power posterior distribution in Bayesian Gaussian mixture models, a robust version of the classical posterior. This power posterior is known to be non-log-concave and multi-modal, which leads to exponential mixing times for some standard MCMC algorithms. We introduce and study the Reflected Metropolis-Hastings Random Walk (RMRW) algorithm for sampling. For symmetric two-component Gaussian mixtures, we prove that its mixing time is bounded as $d^{1.5}(d + \Vert θ_{0} \Vert^2)^{4.5}$ as long as the sample size $n$ is of the order $d (d + \Vert θ_{0} \Ver…
Bayesian methods for graphical log-linear marginal models have not been developed in the same extent as traditional frequentist approaches. In this work, we introduce a novel Bayesian approach for quantitative learning for such models. These models belong to curved exponential families that are difficult to handle from a Bayesian perspective. Furthermore, the likelihood cannot be analytically expressed as a function of the marginal log-linear interactions, but only in terms of cell counts or probabilities. Posterior distributions cannot be directly obtained, and MCMC methods are needed. Finall…
Bayesian nonparametric (BNP) models provide elegant methods for discovering underlying latent features within a data set, but inference in such models can be slow. We exploit the fact that completely random measures, which commonly used models like the Dirichlet process and the beta-Bernoulli process can be expressed as, are decomposable into independent sub-measures. We use this decomposition to partition the latent measure into a finite measure containing only instantiated components, and an infinite measure containing all other components. We then select different inference algorithms for t…
The aim of this work is the comparison of the performance of the three popular software platforms JAGS, NIMBLE and Stan. These probabilistic programming languages are able to automatically generate samples from the posterior distribution of interest using MCMC algorithms, starting from the specification of a Bayesian model, i.e. the likelihood and the prior. The final goal is to present a detailed analysis of their strengths and weaknesses to statisticians or applied scientists. In this way, we wish to contribute to make them fully aware of the pros and cons of this software. We carry out a sy…
Spatial whole-brain Bayesian modeling of task-related functional magnetic resonance imaging (fMRI) is a great computational challenge. Most of the currently proposed methods therefore do inference in subregions of the brain separately or do approximate inference without comparison to the true posterior distribution. A popular such method, which is now the standard method for Bayesian single subject analysis in the SPM software, is introduced in Penny et al. (2005b). The method processes the data slice-by-slice and uses an approximate variational Bayes (VB) estimation algorithm that enforces po…
A computational framework for infinite-dimensional Bayesian inverse problems: Part II. Stochastic Newton MCMC with application to ice sheet flow inverse problems
We explore the theoretical and numerical property of a fully Bayesian model selection method in sparse ultrahigh-dimensional settings, i.e., $p\gg n$, where $p$ is the number of covariates and $n$ is the sample size. Our method consists of (1) a hierarchical Bayesian model with a novel prior placed over the model space which includes a hyperparameter $t_n$ controlling the model size, and (2) an efficient MCMC algorithm for automatic and stochastic search of the models. Our theory shows that, when specifying $t_n$ correctly, the proposed method yields selection consistency, i.e., the posterior …
In many applications of Bayesian clustering, posterior sampling on the discrete state space of cluster allocations is achieved via Markov chain Monte Carlo (MCMC) techniques. As it is typically challenging to design transition kernels to explore this state space efficiently, MCMC convergence diagnostics for clustering applications is especially important. For general MCMC problems, state-of-the-art convergence diagnostics involve comparisons across multiple chains. However, single-chain alternatives can be appealing for computationally intensive and slowly-mixing MCMC, as is typically the case…
Pohang University of Science and Technology（浦项科技大学）
Normalized random measures (NRMs) provide a broad class of discrete random measures that are often used as priors for Bayesian nonparametric models. Dirichlet process is a well-known example of NRMs. Most of posterior inference methods for NRM mixture models rely on MCMC methods since they are easy to implement and their convergence is well studied. However, MCMC often suffers from slow convergence when the acceptance rate is low. Tree-based inference is an alternative deterministic posterior inference method, where Bayesian hierarchical clustering (BHC) or incremental Bayesian hierarchical cl…
Markov chain Monte Carlo (MCMC) methods are powerful computational tools for analysis of complex statistical problems. However, their computational efficiency is highly dependent on the chosen proposal distribution, which is generally difficult to find. One way to solve this problem is to use adaptive MCMC algorithms which automatically tune the statistics of a proposal distribution during the MCMC run. A new adaptive MCMC algorithm, called the variational Bayesian adaptive Metropolis (VBAM) algorithm, is developed. The VBAM algorithm updates the proposal covariance matrix using the variationa…
As a Bayesian approach to fitting motorway traffic flow models remains rare in the literature, we explore empirically the sampling challenges this approach offers which have to do with the strong correlations and multi-modality of the posterior distribution. In particular, we provide a unified statistical model to estimate using motorway data both boundary conditions and fundamental diagram parameters in LWR, a well known motorway traffic flow model. This allows us to provide a traffic flow density estimation method that is shown to be superior to two methods found in the traffic flow literatu…
PriorCVAE: scalable MCMC parameter inference with Bayesian deep generative modelling
University of Oxford（牛津大学）；Aalto University（阿尔托大学）；Institute of Science and Technology Austria（奥地利科学技术研究所）；University of Copenhagen（哥本哈根大学）；Imperial College London（伦敦帝国学院）
Bayesian nonparametric mixture models offer a rich framework for model based clustering. We consider the situation where the kernel of the mixture is available only up to an intractable normalizing constant. In this case, most of the commonly used Markov chain Monte Carlo (MCMC) methods are not suitable. We propose an approximate Bayesian computational (ABC) strategy, whereby we approximate the posterior to avoid the intractability of the kernel. We derive an ABC-MCMC algorithm which combines (i) the use of the predictive distribution induced by the nonparametric prior as proposal and (ii) the…
We consider priors for several nonparametric Bayesian models which use finite random series with a random number of terms. The prior is constructed through distributions on the number of basis functions and the associated coefficients. We derive a general result on the construction of an appropriate sieve and obtain adaptive posterior contraction rates for all smoothness levels of the function in the true model. We apply this general result on several statistical problems such as signal processing, density estimation, nonparametric additive regression, classification, spectral density estimati…
Bayesian hierarchical modeling is a popular approach to capturing unobserved heterogeneity across individual units. However, standard estimation methods such as Markov chain Monte Carlo (MCMC) can be impracticable for modeling outcomes from a large number of units. We develop a new method to sample from posterior distributions of Bayesian models, without using MCMC. Samples are independent, so they can be collected in parallel, and we do not need to be concerned with issues like chain convergence and autocorrelation. The algorithm is scalable under the weak assumption that individual units are…
In this work, we propose a Bayesian type sparse deep learning algorithm. The algorithm utilizes a set of spike-and-slab priors for the parameters in the deep neural network. The hierarchical Bayesian mixture will be trained using an adaptive empirical method. That is, one will alternatively sample from the posterior using preconditioned stochastic gradient Langevin Dynamics (PSGLD), and optimize the latent variables via stochastic approximation. The sparsity of the network is achieved while optimizing the hyperparameters with adaptive searching and penalizing. A popular SG-MCMC approach is Sto…
A well known identifiability issue in factor analytic models is the invariance with respect to orthogonal transformations. This problem burdens the inference under a Bayesian setup, where Markov chain Monte Carlo (MCMC) methods are used to generate samples from the posterior distribution. We introduce a post-processing scheme in order to deal with rotation, sign and permutation invariance of the MCMC sample. The exact version of the contributed algorithm requires to solve $2^q$ assignment problems per (retained) MCMC iteration, where $q$ denotes the number of factors of the fitted model. For l…
