This work considers variational Bayesian inference as an inexpensive and scalable alternative to a fully Bayesian approach in the context of sparsity-promoting priors. In particular, the priors considered arise from scale mixtures of Normal distributions with a generalized inverse Gaussian mixing distribution. This includes the variational Bayesian LASSO as an inexpensive and scalable alternative to the Bayesian LASSO introduced in [65]. It also includes a family of priors which more strongly promote sparsity. For linear models the method requires only the iterative solution of deterministic least squares problems. Furthermore, for p unknown covariates the method can be implemented exactly online with a cost of $O(p^3)$ in computation and $O(p^2)$ in memory per iteration -- in other words, the cost per iteration is independent of n, and in principle infinite data can be considered. For large $p$ an approximation is able to achieve promising results for a cost of $O(p)$ per iteration, in both computation and memory. Strategies for hyper-parameter tuning are also considered. The method is implemented for real and simulated data. It is shown that the performance in terms of variable selection and uncertainty quantification of the variational Bayesian LASSO can be comparable to the Bayesian LASSO for problems which are tractable with that method, and for a fraction of the cost. The present method comfortably handles $n = 65536$, $p = 131073$ on a laptop in less than 30 minutes, and $n = 10^5$, $p = 2.1 \times 10^6$ overnight.
Bayesian penalized regression techniques, such as the Bayesian lasso and the Bayesian horseshoe estimator, have recently received a significant amount of attention in the statistics literature. However, software implementing state-of-the-art Bayesian penalized regression, outside of general purpose Markov chain Monte Carlo platforms such as STAN, is relatively rare. This paper introduces bayesreg, a new toolbox for fitting Bayesian penalized regression models with continuous shrinkage prior densities. The toolbox features Bayesian linear regression with Gaussian or heavy-tailed error models an…
We propose organisation conditions that yield a method for training SOM with adaptative neighborhood radius in a variational Bayesian framework. This method is validated on a non-stationary setting and compared in an high-dimensional setting with an other adaptative method.
Bayesian optimization (BO) is a model-based approach for gradient-free black-box function optimization. Typically, BO is powered by a Gaussian process (GP), whose algorithmic complexity is cubic in the number of evaluations. Hence, GP-based BO cannot leverage large amounts of past or related function evaluations, for example, to warm start the BO procedure. We develop a multiple adaptive Bayesian linear regression model as a scalable alternative whose complexity is linear in the number of observations. The multiple Bayesian linear regression models are coupled through a shared feedforward neur…
In this work we perform outlier detection using ensembles of neural networks obtained by variational approximation of the posterior in a Bayesian neural network setting. The variational parameters are obtained by sampling from the true posterior by gradient descent. We show our outlier detection results are comparable to those obtained using other efficient ensembling methods.
Ensemble of regression trees have become popular statistical tools for the estimation of conditional mean given a set of predictors. However, quantile regression trees and their ensembles have not yet garnered much attention despite the increasing popularity of the linear quantile regression model. This work proposes a Bayesian quantile additive regression trees model that shows very good predictive performance illustrated using simulation studies and real data applications. Further extension to tackle binary classification problems is also considered.
Given overlapping subsets of a set of taxa (e.g. species), and posterior distributions on phylogenetic tree topologies for each of these taxon sets, how can we infer a posterior distribution on phylogenetic tree topologies for the entire taxon set? Although the equivalent problem for in the non-Bayesian case has attracted substantial research, the Bayesian case has not attracted the attention it deserves. In this paper we develop a variational Bayes approach to this problem and demonstrate its effectiveness.
We consider three Bayesian penalized regression models and show that the respective deterministic scan Gibbs samplers are geometrically ergodic regardless of the dimension of the regression problem. We prove geometric ergodicity of the Gibbs samplers for the Bayesian fused lasso, the Bayesian group lasso, and the Bayesian sparse group lasso. Geometric ergodicity along with a moment condition results in the existence of a Markov chain central limit theorem for Monte Carlo averages and ensures reliable output analysis. Our results of geometric ergodicity allow us to also provide default starting…
Variational approaches to approximate Bayesian inference provide very efficient means of performing parameter estimation and model selection. Among these, so-called variational-Laplace or VL schemes rely on Gaussian approximations to posterior densities on model parameters. In this note, we review the main variants of VL approaches, that follow from considering nonlinear models of continuous and/or categorical data. En passant, we also derive a few novel theoretical results that complete the portfolio of existing analyses of variational Bayesian approaches, including investigations of their as…
In this paper, a scale mixture of Normal distributions model is developed for classification and clustering of data having outliers and missing values. The classification method, based on a mixture model, focuses on the introduction of latent variables that gives us the possibility to handle sensitivity of model to outliers and to allow a less restrictive modelling of missing data. Inference is processed through a Variational Bayesian Approximation and a Bayesian treatment is adopted for model learning, supervised classification and clustering.
This study aims to show the fundamental difference between logistic regression and Bayesian classifiers in the case of exponential and unexponential families of distributions, yielding the following findings. First, the logistic regression is a less general representation of a Bayesian classifier. Second, one should suppose distributions of classes for the correct specification of logistic regression equations. Third, in specific cases, there is no difference between predicted probabilities from correctly specified generative Bayesian classifier and discriminative logistic regression.
This article proposes Multinomial Probit Bayesian Additive Regression Trees (MPBART) as a multinomial probit extension of BART - Bayesian Additive Regression Trees (Chipman et al (2010)). MPBART is flexible to allow inclusion of predictors that describe the observed units as well as the available choice alternatives. Through two simulation studies and four real data examples, we show that MPBART exhibits very good predictive performance in comparison to other discrete choice and multiclass classification methods. To implement MPBART, we have developed an R package mpbart available freely from …
In this rejoinder we summarize the comments, questions and remarks on the paper "A novel algorithmic approach to Bayesian Logic Regression" from the discussants. We then respond to those comments, questions and remarks, provide several extensions of the original model and give a tutorial on our R-package EMJMCMC (http://aliaksah.github.io/EMJMCMC2016/)
In this paper, we study porous media flows in heterogeneous stochastic media. We propose an efficient forward simulation technique that is tailored for variational Bayesian inversion. As a starting point, the proposed forward simulation technique decomposes the solution into the sum of separable functions (with respect to randomness and the space), where each term is calculated based on a variational approach. This is similar to Proper Generalized Decomposition (PGD). Next, we apply a multiscale technique to solve for each term and, further, decompose the random function into 1D fields. As a r…
To model categorical response variables given their covariates, we propose a permuted and augmented stick-breaking (paSB) construction that one-to-one maps the observed categories to randomly permuted latent sticks. This new construction transforms multinomial regression into regression analysis of stick-specific binary random variables that are mutually independent given their covariate-dependent stick success probabilities, which are parameterized by the regression coefficients of their corresponding categories. The paSB construction allows transforming an arbitrary cross-entropy-loss binary…
University of Sheffield（谢菲尔德大学）；Department of Computer Science（计算机科学系）；Sheffield, UK（英国谢菲尔德）
This paper introduces a method to approximate Gaussian process regression by representing the problem as a stochastic differential equation and using variational inference to approximate solutions. The approximations are compared with full GP regression and generated paths are demonstrated to be indistinguishable from GP samples. We show that the approach extends easily to non-linear dynamics and discuss extensions to which the approach can be easily applied.
A Variational Approach to Bayesian Phylogenetic Inference
Peking University（北京大学）；Howard Hughes Medical Institute（霍华德·休斯医学研究所）；Fred Hutchinson Cancer Research Center（弗雷德·哈钦森癌症研究中心）；University of Washington（华盛顿大学）
We propose Bayesian extensions of two nonparametric regression methods which are kernel and mutual $k$-nearest neighbor regression methods. Derived based on Gaussian process models for regression, the extensions provide distributions for target value estimates and the framework to select the hyperparameters. It is shown that both the proposed methods asymptotically converge to kernel and mutual $k$-nearest neighbor regression methods, respectively. The simulation results show that the proposed methods can select proper hyperparameters and are better than or comparable to the former methods for…
The motivations for using variational inference (VI) in neural networks differ significantly from those in latent variable models. This has a counter-intuitive consequence; more expressive variational approximations can provide significantly worse predictions as compared to those with less expressive families. In this work we make two contributions. First, we identify a cause of this performance gap, variational over-pruning. Second, we introduce a theoretically grounded explanation for this phenomenon. Our perspective sheds light on several related published results and provides intuition int…
We consider Bayesian inference in inverse regression problems where the objective is to infer about unobserved covariates from observed responses and covariates. We establish posterior consistency of such unobserved covariates in Bayesian inverse regression problemsunder appropriate priors in a leave-one-out cross-validation setup. We relate this to posterior consistency of inverse reference distributions (Bhattacharya (2013)) for assessing model adequacy. We illustrate our theory and methods with various examples of Bayesian inverse regression, along with adequate simulation experiments.
University of Sussex（萨塞克斯大学）；University of Bristol（布里斯托尔大学）
We develop variational Laplace for Bayesian neural networks (BNNs) which exploits a local approximation of the curvature of the likelihood to estimate the ELBO without the need for stochastic sampling of the neural-network weights. The Variational Laplace objective is simple to evaluate, as it is (in essence) the log-likelihood, plus weight-decay, plus a squared-gradient regularizer. Variational Laplace gave better test performance and expected calibration errors than maximum a-posteriori inference and standard sampling-based variational inference, despite using the same variational approximat…
As an automatic method of determining model complexity using the training data alone, Bayesian linear regression provides us a principled way to select hyperparameters. But one often needs approximation inference if distribution assumption is beyond Gaussian distribution. In this paper, we propose a Bayesian linear regression model with Student-t assumptions (BLRS), which can be inferred exactly. In this framework, both conjugate prior and expectation maximization (EM) algorithm are generalized. Meanwhile, we prove that the maximum likelihood solution is equivalent to the standard Bayesian lin…
We develop variational Laplace for Bayesian neural networks (BNNs) which exploits a local approximation of the curvature of the likelihood to estimate the ELBO without the need for stochastic sampling of the neural-network weights. The Variational Laplace objective is simple to evaluate, as it is (in essence) the log-likelihood, plus weight-decay, plus a squared-gradient regularizer. Variational Laplace gave better test performance and expected calibration errors than maximum a-posteriori inference and standard sampling-based variational inference, despite using the same variational approximat…
We develop a framework for generalized variational inference in infinite-dimensional function spaces and use it to construct a method termed Gaussian Wasserstein inference (GWI). GWI leverages the Wasserstein distance between Gaussian measures on the Hilbert space of square-integrable functions in order to determine a variational posterior using a tractable optimisation criterion and avoids pathologies arising in standard variational function space inference. An exciting application of GWI is the ability to use deep neural networks in the variational parametrisation of GWI, combining their sup…
Harvard T.H. Chan School of Public Health（哈佛大学陈曾熙公共卫生学院）；Harvard University（哈佛大学）
Variational inference enables approximate posterior inference of the highly over-parameterized neural networks that are popular in modern machine learning. Unfortunately, such posteriors are known to exhibit various pathological behaviors. We prove that as the number of hidden units in a single-layer Bayesian neural network tends to infinity, the function-space posterior mean under mean-field variational inference actually converges to zero, completely ignoring the data. This is in contrast to the true posterior, which converges to a Gaussian process. Our work provides insight into the over-re…
A brief comment on A variational Bayesian approach for inverse problems with skew-t error distributions (Guha et al., Journal of Computational Physics 301 (2015) 377-393) is given in this letter.
In this note we consider setups in which variational objectives for Bayesian neural networks can be computed in closed form. In particular we focus on single-layer networks in which the activation function is piecewise polynomial (e.g. ReLU). In this case we show that for a Normal likelihood and structured Normal variational distributions one can compute a variational lower bound in closed form. In addition we compute the predictive mean and variance in closed form. Finally, we also show how to compute approximate lower bounds for other likelihoods (e.g. softmax classification). In experiments…
VinAI Research（VinAI研究院）；University of Texas, Austin（德克萨斯大学奥斯汀分校）；Hanoi University of Science and Technology（河内科技大学）
Approximate inference in Bayesian deep networks exhibits a dilemma of how to yield high fidelity posterior approximations while maintaining computational efficiency and scalability. We tackle this challenge by introducing a novel variational structured approximation inspired by the Bayesian interpretation of Dropout regularization. Concretely, we focus on the inflexibility of the factorized structure in Dropout posterior and then propose an improved method called Variational Structured Dropout (VSD). VSD employs an orthogonal transformation to learn a structured representation on the variation…
SoftServe, Inc.（SoftServe 公司）；Ivan Franko National University of Lviv（利沃夫伊万·弗兰科国立大学）
In this work, we study the use of logistic regression in manufacturing failures detection. As a data set for the analysis, we used the data from Kaggle competition Bosch Production Line Performance. We considered the use of machine learning, linear and Bayesian models. For machine learning approach, we analyzed XGBoost tree based classifier to obtain high scored classification. Using the generalized linear model for logistic regression makes it possible to analyze the influence of the factors under study. The Bayesian approach for logistic regression gives the statistical distribution for the …
In this note we introduce linear regression with basis functions in order to apply Bayesian model selection. The goal is to incorporate Occam's razor as provided by Bayes analysis in order to automatically pick the model optimally able to explain the data without overfitting.
University of Amsterdam（阿姆斯特丹大学）；TNO Intelligent Imaging（荷兰应用科学研究组织智能成像）；Canadian Institute For Advanced Research (CIFAR)（加拿大高级研究院）
We reinterpret multiplicative noise in neural networks as auxiliary random variables that augment the approximate posterior in a variational setting for Bayesian neural networks. We show that through this interpretation it is both efficient and straightforward to improve the approximation by employing normalizing flows while still allowing for local reparametrizations and a tractable lower bound. In experiments we show that with this new approximation we can significantly improve upon classical mean field for Bayesian neural networks on both predictive accuracy as well as predictive uncertaint…
Gaussian processes (GPs) are powerful non-parametric function estimators. However, their applications are largely limited by the expensive computational cost of the inference procedures. Existing stochastic or distributed synchronous variational inferences, although have alleviated this issue by scaling up GPs to millions of samples, are still far from satisfactory for real-world large applications, where the data sizes are often orders of magnitudes larger, say, billions. To solve this problem, we propose ADVGP, the first Asynchronous Distributed Variational Gaussian Process inference for reg…
University of Toronto（多伦多大学）；Vector Institute（向量研究所）；Tsinghua University（清华大学）
Variational Bayesian neural networks (BNNs) perform variational inference over weights, but it is difficult to specify meaningful priors and approximate posteriors in a high-dimensional weight space. We introduce functional variational Bayesian neural networks (fBNNs), which maximize an Evidence Lower BOund (ELBO) defined directly on stochastic processes, i.e. distributions over functions. We prove that the KL divergence between stochastic processes equals the supremum of marginal KL divergences over all finite sets of inputs. Based on this, we introduce a practical training objective which ap…
These notes aim at clarifying different strategies to perform linear regression from given dataset. Methods like the weighted and ordinary least squares, ridge regression or LASSO are proposed in the literature. The present article is my understanding of these methods which are, according to me, better unified in the Bayesian framework. The formulas to address linear regression with these methods are derived. The KIC for model selection is also derived in the end of the document.
NTT DATA Mathematical Systems Inc.（NTT数据数学系统公司）；Tokyo Institute of Technology（东京工业大学）
Non-negative matrix factorization (NMF) is a knowledge discovery method that is used in many fields. Variational inference and Gibbs sampling methods for it are also wellknown. However, the variational approximation error has not been clarified yet, because NMF is not statistically regular and the prior distribution used in variational Bayesian NMF (VBNMF) has zero or divergence points. In this paper, using algebraic geometrical methods, we theoretically analyze the difference in negative log evidence (a.k.a. free energy) between VBNMF and Bayesian NMF, i.e., the Kullback-Leibler divergence be…
Bayesian additive regression trees have seen increased interest in recent years due to their ability to combine machine learning techniques with principled uncertainty quantification. The Bayesian backfitting algorithm used to fit BART models, however, limits their application to a small class of models for which conditional conjugacy exists. In this article, we greatly expand the domain of applicability of BART to arbitrary \emph{generalized BART} models by introducing a very simple, tuning-parameter-free, reversible jump Markov chain Monte Carlo algorithm. Our algorithm requires only that th…
Recently, a very attractive logistic regression inference method for exponential family Gibbs spatial point processes was introduced. We combined it with the technique of quadratic tangential variational approximation and derived a new Bayesian technique for analysing spatial point patterns. The technique is described in detail, and demonstrated on numerical examples.
School of Mathematics and Statistics（数学与统计学院）；University of Melbourne（墨尔本大学）
In this work, we advocate for the importance of singular learning theory (SLT) as it pertains to the theory and practice of variational inference in Bayesian neural networks (BNNs). To begin, using SLT, we lay to rest some of the confusion surrounding discrepancies between downstream predictive performance measured via e.g., the test log predictive density, and the variational objective. Next, we use the SLT-corrected asymptotic form for singular posterior distributions to inform the design of the variational family itself. Specifically, we build upon the idealized variational family introduce…
Variational Bayesian phylogenetic inference (VBPI) provides a promising general variational framework for efficient estimation of phylogenetic posteriors. However, the current diagonal Lognormal branch length approximation would significantly restrict the quality of the approximating distributions. In this paper, we propose a new type of VBPI, VBPI-NF, as a first step to empower phylogenetic posterior estimation with deep learning techniques. By handling the non-Euclidean branch length space of phylogenetic models with carefully designed permutation equivariant transformations, VBPI-NF uses no…
We develop an optimization algorithm suitable for Bayesian learning in complex models. Our approach relies on natural gradient updates within a general black-box framework for efficient training with limited model-specific derivations. It applies within the class of exponential-family variational posterior distributions, for which we extensively discuss the Gaussian case for which the updates have a rather simple form. Our Quasi Black-box Variational Inference (QBVI) framework is readily applicable to a wide class of Bayesian inference problems and is of simple implementation as the updates of…
In linear regression models, fusion of coefficients is used to identify predictors having similar relationships with a response. This is called variable fusion. This paper presents a novel variable fusion method in terms of Bayesian linear regression models. We focus on hierarchical Bayesian models based on a spike-and-slab prior approach. A spike-and-slab prior is tailored to perform variable fusion. To obtain estimates of the parameters, we develop a Gibbs sampler for the parameters. Simulation studies and a real data analysis show that our proposed method achieves better performance than pr…
Collected data, which is used for analysis or prediction tasks, often have a hierarchical structure, for example, data from various people performing the same task. Modeling the data's structure can improve the reliability of the derived results and prediction performance of newly unobserved data. Bayesian modeling provides a tool-kit for designing hierarchical models. However, Markov Chain Monte Carlo methods which are commonly used for parameter estimation are computationally expensive. This often renders its use for many applications not applicable. However, variational Bayesian methods all…
National University of Singapore（新加坡国立大学）；MIT-IBM Watson AI Lab（麻省理工学院-IBM沃森人工智能实验室）；MIT（麻省理工学院）
This paper presents a novel variational inference framework for deriving a family of Bayesian sparse Gaussian process regression (SGPR) models whose approximations are variationally optimal with respect to the full-rank GPR model enriched with various corresponding correlation structures of the observation noises. Our variational Bayesian SGPR (VBSGPR) models jointly treat both the distributions of the inducing variables and hyperparameters as variational parameters, which enables the decomposability of the variational lower bound that in turn can be exploited for stochastic optimization. Such…
