Ordinary differential equations (ODEs) are a mathematical model used in many application areas such as climatology, bioinformatics, and chemical engineering with its intuitive appeal to modeling. Despite ODE's wide usage in modeling, the frequent absence of their analytic solutions makes it challenging to estimate ODE parameters from the data, especially when the model has lots of variables and parameters. This paper proposes a Bayesian ODE parameter estimating algorithm which is fast and accurate even for models with many parameters. The proposed method approximates an ODE model with a state-space model based on equations of a numeric solver. It allows fast estimation by avoiding computations of a complete numerical solution in the likelihood. The posterior is obtained by a variational Bayes method, more specifically, the approximate Riemannian conjugate gradient method (Honkela et al. 2010), which avoids samplings based on Markov chain Monte Carlo (MCMC). In simulation studies, we compared the speed and performance of the proposed method with existing methods. The proposed method showed the best performance in the reproduction of the true ODE curve with strong stability as well as the fastest computation, especially in a large model with more than 30 parameters. As a real-world data application, a SIR model with time-varying parameters was fitted to the COVID-19 data. Taking advantage of the proposed algorithm, more than 50 parameters were adequately estimated for each country.
Bayesian approaches to clinical analyses for the purposes of patient phenotyping have been limited by the computational challenges associated with applying the Markov-Chain Monte-Carlo (MCMC) approach to large real-world data. Approximate Bayesian inference via optimization of the variational evidence lower bound, often called Variational Bayes (VB), has been successfully demonstrated for other applications. We investigate the performance and characteristics of currently available R and Python VB software for variational Bayesian Latent Class Analysis (LCA) of realistically large real-world ob…
We propose a new marginal data density estimator (MDDE) that uses the variational Bayes posterior density as a weighting density of the reciprocal importance sampling (RIS) MDDE. This computationally convenient estimator is based on variational Bayes posterior densities that are available for many models and requires simulated draws only from the posterior distribution. It provides accurate estimates with a moderate number of posterior draws, has a finite variance, and provides a minimum variance candidate for the class of RIS MDDEs. Its reciprocal is consistent, asymptotically normally distri…
Bayesian hierarchical models are increasing popular in economics. When using hierarchical models, it is useful not only to calculate posterior expectations, but also to measure the robustness of these expectations to reasonable alternative prior choices. We use variational Bayes and linear response methods to provide fast, accurate posterior means and robustness measures with an application to measuring the effectiveness of microcredit in the developing world.
This paper presents a Bayesian approach to symbol and phase inference in a phase-unsynchronized digital receiver. It primarily extends [Quinn 2011] to the multi-symbol case, using the variational Bayes (VB) approximation to deal with the combinatorial complexity of the phase inference in this case. The work provides a fully Bayesian extension of the EM-based framework underlying current turbo-synchronization methods, since it induces a von Mises prior on the time-invariant phase parmeter. As a result, we achieve tractable iterative algorithms with improved robustness in low SNR regimes, compar…
Deep neural networks have achieved impressive results on a wide variety of tasks. However, quantifying uncertainty in the network's output is a challenging task. Bayesian models offer a mathematical framework to reason about model uncertainty. Variational methods have been used for approximating intractable integrals that arise in Bayesian inference for neural networks. In this report, we review the major variational inference concepts pertinent to Bayesian neural networks and compare various approximation methods used in literature. We also talk about the applications of variational bayes in …
Denso Corporation（电装公司）；Toyohashi University of Technology（丰桥技术科学大学）
Clustering algorithms have wide applications and play an important role in data analysis fields including time series data analysis. However, in time series analysis, most of the algorithms used signal shape features or the initial value of hidden variable of a neural network. Little has been discussed on the methods based on the generative model of the time series. In this paper, we propose a new clustering algorithm focusing on the generative process of the signal with a recurrent neural network and the variational Bayes method. Our experiments show that the proposed algorithm not only has a…
Parameter estimation for model-based clustering using a finite mixture of normal inverse Gaussian (NIG) distributions is achieved through variational Bayes approximations. Univariate NIG mixtures and multivariate NIG mixtures are considered. The use of variational Bayes approximations here is a substantial departure from the traditional EM approach and alleviates some of the associated computational complexities and uncertainties. Our variational algorithm is applied to simulated and real data. The paper concludes with discussion and suggestions for future work.
This paper presents studies on a deterministic annealing algorithm based on quantum annealing for variational Bayes (QAVB) inference, which can be seen as an extension of the simulated annealing for variational Bayes (SAVB) inference. QAVB is as easy as SAVB to implement. Experiments revealed QAVB finds a better local optimum than SAVB in terms of the variational free energy in latent Dirichlet allocation (LDA).
This paper establishes the asymptotic consistency of the {\it loss-calibrated variational Bayes} (LCVB) method. LCVB was proposed in~\cite{LaSiGh2011} as a method for approximately computing Bayesian posteriors in a `loss aware' manner. This methodology is also highly relevant in general data-driven decision-making contexts. Here, we not only establish the asymptotic consistency of the calibrated approximate posterior, but also the asymptotic consistency of decision rules. We also establish the asymptotic consistency of decision rules obtained from a `naive' variational Bayesian procedure.
Variable selection is a classic problem in statistics. In this paper, we consider a Bayes variable selection problem based on spike-and-slab prior with mixed normal distribution proposed by Ročková and George (2014). Motivated by Ormerod and You (2017, 2023), we use the variational inference and collapsed variational inference method to solve the Bayesian problem instead of MCMC. Like Ormerod and You (2017, 2023), we also explain how the sparsity estimator is induced, and under certain mild assumptions, we also prove the consistent and asymptotic results.
This technical report presents a variational Bayes algorithm for semisupervised hyperspectral image unmixing. The presented Bayesian model employs a heavy tailed, nonnegatively truncated Laplace prior over the abundance coefficients. This prior imposes both the sparsity assumption and the nonnegativity constraint on the abundance coefficients. Experimental results conducted on the Aviris Cuprite data set are presented that demonstrate the effectiveness of the proposed method.
University of Nottingham（诺丁汉大学）；University of Oxford（牛津大学）
Bayesian methods have proved powerful in many applications for the inference of model parameters from data. These methods are based on Bayes' theorem, which itself is deceptively simple. However, in practice the computations required are intractable even for simple cases. Hence methods for Bayesian inference have historically either been significantly approximate, e.g., the Laplace approximation, or achieve samples from the exact solution at significant computational expense, e.g., Markov Chain Monte Carlo methods. Since around the year 2000 so-called Variational approaches to Bayesian inferen…
This tutorial gives a quick introduction to Variational Bayes (VB), also called Variational Inference or Variational Approximation, from a practical point of view. The paper covers a range of commonly used VB methods and an attempt is made to keep the materials accessible to the wide community of data analysis practitioners. The aim is that the reader can quickly derive and implement their first VB algorithm for Bayesian inference with their data analysis problem. An end-user software package in Matlab together with the documentation can be found at https://vbayeslab.github.io/VBLabDocs/
The article addresses a long-standing open problem on the justification of using variational Bayes methods for parameter estimation. We provide general conditions for obtaining optimal risk bounds for point estimates acquired from mean-field variational Bayesian inference. The conditions pertain to the existence of certain test functions for the distance metric on the parameter space and minimal assumptions on the prior. A general recipe for verification of the conditions is outlined which is broadly applicable to existing Bayesian models with or without latent variables. As illustrations, spe…
This paper shows how the variational Bayes method provides a computational efficient technique in the context of hierarchical modelling using Dirichlet process priors, in particular without requiring conjugate prior assumption. It shows, using the so called parameter separation parameterization, a simple criterion under which the variational method works well. Based on this framework, its provides a full variational solution for the Dirichlet process. The numerical results show that the method is very computationally efficient when compared to MCMC. Finally, we propose an empirical method to e…
A key challenge for modern Bayesian statistics is how to perform scalable inference of posterior distributions. To address this challenge, variational Bayes (VB) methods have emerged as a popular alternative to the classical Markov chain Monte Carlo (MCMC) methods. VB methods tend to be faster while achieving comparable predictive performance. However, there are few theoretical results around VB. In this paper, we establish frequentist consistency and asymptotic normality of VB methods. Specifically, we connect VB methods to point estimates based on variational approximations, called frequenti…
Stochastic variational inference is an established way to carry out approximate Bayesian inference for deep models. While there have been effective proposals for good initializations for loss minimization in deep learning, far less attention has been devoted to the issue of initialization of stochastic variational inference. We address this by proposing a novel layer-wise initialization strategy based on Bayesian linear models. The proposed method is extensively validated on regression and classification tasks, including Bayesian DeepNets and ConvNets, showing faster and better convergence com…
We present SDA-Bayes, a framework for (S)treaming, (D)istributed, (A)synchronous computation of a Bayesian posterior. The framework makes streaming updates to the estimated posterior according to a user-specified approximation batch primitive. We demonstrate the usefulness of our framework, with variational Bayes (VB) as the primitive, by fitting the latent Dirichlet allocation model to two large-scale document collections. We demonstrate the advantages of our algorithm over stochastic variational inference (SVI) by comparing the two after a single pass through a known amount of data---a case …
Bayesian entity resolution merges together multiple, noisy databases and returns the minimal collection of unique individuals represented, together with their true, latent record values. Bayesian methods allow flexible generative models that share power across databases as well as principled quantification of uncertainty for queries of the final, resolved database. However, existing Bayesian methods for entity resolution use Markov monte Carlo method (MCMC) approximations and are too slow to run on modern databases containing millions or billions of records. Instead, we propose applying variat…
Variational Bayes (VB) inference is one of the most important algorithms in machine learning and widely used in engineering and industry. However, VB is known to suffer from the problem of local optima. In this Letter, we generalize VB by using quantum mechanics, and propose a new algorithm, which we call quantum annealing variational Bayes (QAVB) inference. We then show that QAVB drastically improve the performance of VB by applying them to a clustering problem described by a Gaussian mixture model. Finally, we discuss an intuitive understanding on how QAVB works well.
We propose using model reparametrization to improve variational Bayes inference for hierarchical models whose variables can be classified as global (shared across observations) or local (observation specific). Posterior dependence between local and global variables is minimized by applying an invertible affine transformation on the local variables. The functional form of this transformation is deduced by approximating the posterior distribution of each local variable conditional on the global variables by a Gaussian density via a second order Taylor expansion. Variational Bayes inference for t…
London School of Economics（伦敦政治经济学院）；JP Morgan Chase & Co.（摩根大通公司）
Current variational inference methods for hierarchical Bayesian nonparametric models can neither characterize the correlation structure among latent variables due to the mean-field setting, nor infer the true posterior dimension because of the universal truncation. To overcome these limitations, we propose the conditional and adaptively truncated variational inference method (CATVI) by maximizing the nonparametric evidence lower bound and integrating Monte Carlo into the variational inference framework. CATVI enjoys several advantages over traditional methods, including a smaller divergence be…
Ising models originated in statistical physics and are widely used in modeling spatial data and computer vision problems. However, statistical inference of this model remains challenging due to intractable nature of the normalizing constant in the likelihood. Here, we use a pseudo-likelihood instead to study the Bayesian estimation of two-parameter, inverse temperature, and magnetization, Ising model with a fully specified coupling matrix. We develop a computationally efficient variational Bayes procedure for model estimation. Under the Gaussian mean-field variational family, we derive posteri…
Variational Bayes (VB) is a critical method in machine learning and statistics, underpinning the recent success of Bayesian deep learning. The natural gradient is an essential component of efficient VB estimation, but it is prohibitively computationally expensive in high dimensions. We propose a computationally efficient regression-based method for natural gradient estimation, with convergence guarantees under standard assumptions. The method enables the use of quantum matrix inversion to further speed up VB. We demonstrate that the problem setup fulfills the conditions required for quantum ma…
Variational Bayes (VB) has shown itself to be a powerful approximation method in many application areas. This paper describes some diagnostics methods which can assess how well the VB approximates the true posterior, particularly with regards to its covariance structure. The methods proposed also allow us to generate simple corrections when the approximation error is large. It looks at joint, marginal and conditional aspects of the approximate posterior and shows how to apply these techniques in both simulated and real data examples.
We propose a novel interpretation of the collapsed variational Bayes inference with a zero-order Taylor expansion approximation, called CVB0 inference, for latent Dirichlet allocation (LDA). We clarify the properties of the CVB0 inference by using the alpha-divergence. We show that the CVB0 inference is composed of two different divergence projections: alpha=1 and -1. This interpretation will help shed light on CVB0 works.
Variational Bayes (VB) is a recent approximate method for Bayesian inference. It has the merit of being a fast and scalable alternative to Markov Chain Monte Carlo (MCMC) but its approximation error is often unknown. In this paper, we derive the approximation error of VB in terms of mean, mode, variance, predictive density and KL divergence for the linear Gaussian multi-equation regression. Our results indicate that VB approximates the posterior mean perfectly. Factors affecting the magnitude of underestimation in posterior variance and mode are revealed. Importantly, We demonstrate that VB es…
We highlight a pitfall when applying stochastic variational inference to general Bayesian networks. For global random variables approximated by an exponential family distribution, natural gradient steps, commonly starting from a unit length step size, are averaged to convergence. This useful insight into the scaling of initial step sizes is lost when the approximation factorizes across a general Bayesian network, and care must be taken to ensure practical convergence. We experimentally investigate how much of the baby (well-scaled steps) is thrown out with the bath water (exact gradients).
Konstanz University of Applied Sciences（康斯坦茨应用科学大学）；Zurich University of Applied Sciences（苏黎世应用科学大学）；University of Zurich（苏黎世大学）
The main challenge in Bayesian models is to determine the posterior for the model parameters. Already, in models with only one or few parameters, the analytical posterior can only be determined in special settings. In Bayesian neural networks, variational inference is widely used to approximate difficult-to-compute posteriors by variational distributions. Usually, Gaussians are used as variational distributions (Gaussian-VI) which limits the quality of the approximation due to their limited flexibility. Transformation models on the other hand are flexible enough to fit any distribution. Here w…
We study a mean-field spike and slab variational Bayes (VB) approximation to Bayesian model selection priors in sparse high-dimensional linear regression. Under compatibility conditions on the design matrix, oracle inequalities are derived for the mean-field VB approximation, implying that it converges to the sparse truth at the optimal rate and gives optimal prediction of the response vector. The empirical performance of our algorithm is studied, showing that it works comparably well as other state-of-the-art Bayesian variable selection methods. We also numerically demonstrate that the widely…
University College of London（伦敦大学学院）；Athens University of Economics and Business（雅典经济与商业大学）；The Alan Turing Institute（艾伦·图灵研究所）
We present a scalable approach to performing approximate fully Bayesian inference in generic state space models. The proposed method is an alternative to particle MCMC that provides fully Bayesian inference of both the dynamic latent states and the static parameters of the model. We build up on recent advances in computational statistics that combine variational methods with sequential Monte Carlo sampling and we demonstrate the advantages of performing full Bayesian inference over the static parameters rather than just performing variational EM approximations. We illustrate how our approach e…
While stochastic variational inference is relatively well known for scaling inference in Bayesian probabilistic models, related methods also offer ways to circumnavigate the approximation of analytically intractable expectations. The key challenge in either setting is controlling the variance of gradient estimates: recent work has shown that for continuous latent variables, particularly multivariate Gaussians, this can be achieved by using the gradient of the log posterior. In this paper we apply the same idea to gamma distributed latent variables given gamma variational distributions, enablin…
W-graph refers to a general class of random graph models that can be seen as a random graph limit. It is characterized by both its graphon function and its motif frequencies. In this paper, relying on an existing variational Bayes algorithm for the stochastic block models along with the corresponding weights for model averaging, we derive an estimate of the graphon function as an average of stochastic block models with increasing number of blocks. In the same framework, we derive the variational posterior frequency of any motif. A simulation study and an illustration on a social network comple…
Imperial College London（帝国理工学院）；Vrije Universiteit Amsterdam（阿姆斯特丹自由大学）
Variational Bayes (VB) is a popular scalable alternative to Markov chain Monte Carlo for Bayesian inference. We study a mean-field spike and slab VB approximation of widely used Bayesian model selection priors in sparse high-dimensional logistic regression. We provide non-asymptotic theoretical guarantees for the VB posterior in both $\ell_2$ and prediction loss for a sparse truth, giving optimal (minimax) convergence rates. Since the VB algorithm does not depend on the unknown truth to achieve optimality, our results shed light on effective prior choices. We confirm the improved performance o…
The article develops a hybrid Variational Bayes algorithm that combines the mean-field and fixed-form Variational Bayes methods. The new estimation algorithm can be used to approximate any posterior without relying on conjugate priors. We propose a divide and recombine strategy for the analysis of large datasets, which partitions a large dataset into smaller pieces and then combines the variational distributions that have been learnt in parallel on each separate piece using the hybrid Variational Bayes algorithm. The proposed method is applied to fitting generalized linear mixed models. The co…
In high-dimensions, the prior tails can have a significant effect on both posterior computation and asymptotic concentration rates. To achieve optimal rates while keeping the posterior computations relatively simple, an empirical Bayes approach has recently been proposed, featuring thin-tailed conjugate priors with data-driven centers. While conjugate priors ease some of the computational burden, Markov chain Monte Carlo methods are still needed, which can be expensive when dimension is high. In this paper, we develop a variational approximation to the empirical Bayes posterior that is fast to…
Robustness to outliers is a central issue in real-world machine learning applications. While replacing a model to a heavy-tailed one (e.g., from Gaussian to Student-t) is a standard approach for robustification, it can only be applied to simple models. In this paper, based on Zellner's optimization and variational formulation of Bayesian inference, we propose an outlier-robust pseudo-Bayesian variational method by replacing the Kullback-Leibler divergence used for data fitting to a robust divergence such as the beta- and gamma-divergences. An advantage of our approach is that superior but comp…
Over-parameterized models, such as DeepNets and ConvNets, form a class of models that are routinely adopted in a wide variety of applications, and for which Bayesian inference is desirable but extremely challenging. Variational inference offers the tools to tackle this challenge in a scalable way and with some degree of flexibility on the approximation, but for over-parameterized models this is challenging due to the over-regularization property of the variational objective. Inspired by the literature on kernel methods, and in particular on structured approximations of distributions of random …
The University of Sydney Business School（悉尼大学商学院）；ARC Centre for Data Analytics for Resources and Environments (DARE)（澳大利亚研究委员会资源与环境数据分析中心（DARE））；UNSW Business School（新南威尔士大学商学院）
Bayesian neural network models (BNN) have re-surged in recent years due to the advancement of scalable computations and its utility in solving complex prediction problems in a wide variety of applications. Despite the popularity and usefulness of BNN, the conventional Markov Chain Monte Carlo based implementation suffers from high computational cost, limiting the use of this powerful technique in large scale studies. The variational Bayes inference has become a viable alternative to circumvent some of the computational issues. Although the approach is popular in machine learning, its applicati…
Mean Field Variational Bayes (MFVB) is a popular posterior approximation method due to its fast runtime on large-scale data sets. However, it is well known that a major failing of MFVB is its (sometimes severe) underestimates of the uncertainty of model variables and lack of information about model variable covariance. We develop a fast, general methodology for exponential families that augments MFVB to deliver accurate uncertainty estimates for model variables -- both for individual variables and coherently across variables. MFVB for exponential families defines a fixed-point equation in the …
Princeton Neuroscience Institute, Princeton University（普林斯顿大学神经科学研究所）；Google AI Berlin（谷歌柏林人工智能研究院）；Department of Engineering, University of Cambridge（剑桥大学工程系）；Microsoft Research, Cambridge（微软剑桥研究院）
Bayesian neural networks (BNNs) hold great promise as a flexible and principled solution to deal with uncertainty when learning from finite data. Among approaches to realize probabilistic inference in deep neural networks, variational Bayes (VB) is theoretically grounded, generally applicable, and computationally efficient. With wide recognition of potential advantages, why is it that variational Bayes has seen very limited practical use for BNNs in real applications? We argue that variational inference in neural networks is fragile: successful implementations require careful initialization an…
We propose a family of variational approximations to Bayesian posterior distributions, called $α$-VB, with provable statistical guarantees. The standard variational approximation is a special case of $α$-VB with $α=1$. When $α\in(0,1]$, a novel class of variational inequalities are developed for linking the Bayes risk under the variational approximation to the objective function in the variational optimization problem, implying that maximizing the evidence lower bound in variational inference has the effect of minimizing the Bayes risk within the variational density family. Operating in a freq…
Deriving Bayesian inference for exponential random graph models (ERGMs) is a challenging "doubly intractable" problem as the normalizing constants of the likelihood and posterior density are both intractable. Markov chain Monte Carlo (MCMC) methods which yield Bayesian inference for ERGMs, such as the exchange algorithm, are asymptotically exact but computationally intensive, as a network has to be drawn from the likelihood at every step using, for instance, a "tie no tie" sampler. In this article, we develop a variety of variational methods for Gaussian approximation of the posterior density …
NNAISENSE, Inc.（NNAISENSE 公司）；University of California, Berkeley（加州大学伯克利分校）
We unify empirical Bayes and variational Bayes for approximating unnormalized densities. This framework, named unnormalized variational Bayes (UVB), is based on formulating a latent variable model for the random variable $Y=X+N(0,σ^2 I_d)$ and using the evidence lower bound (ELBO), computed by a variational autoencoder, as a parametrization of the energy function of $Y$ which is then used to estimate $X$ with the empirical Bayes least-squares estimator. In this intriguing setup, the $\textit{gradient}$ of the ELBO with respect to noisy inputs plays the central role in learning the energy funct…
Neural network based data-driven operator learning schemes have shown tremendous potential in computational mechanics. DeepONet is one such neural network architecture which has gained widespread appreciation owing to its excellent prediction capabilities. Having said that, being set in a deterministic framework exposes DeepONet architecture to the risk of overfitting, poor generalization and in its unaltered form, it is incapable of quantifying the uncertainties associated with its predictions. We propose in this paper, a Variational Bayes DeepONet (VB-DeepONet) for operator learning, which c…
We propose a model for functional data registration that compares favorably to the best methods of functional data registration currently available. It also extends current inferential capabilities for unregistered data by providing a flexible probabilistic framework that 1) allows for functional prediction in the context of registration and 2) can be adapted to include smoothing and registration in one model. The proposed inferential framework is a Bayesian hierarchical model where the registered functions are modeled as Gaussian processes. To address the computational demands of inference in…
Recently, a number of mostly $\ell_1$-norm regularized least squares type deterministic algorithms have been proposed to address the problem of \emph{sparse} adaptive signal estimation and system identification. From a Bayesian perspective, this task is equivalent to maximum a posteriori probability estimation under a sparsity promoting heavy-tailed prior for the parameters of interest. Following a different approach, this paper develops a unifying framework of sparse \emph{variational Bayes} algorithms that employ heavy-tailed priors in conjugate hierarchical form to facilitate posterior infe…
