While deep learning methods continue to improve in predictive accuracy on a wide range of application domains, significant issues remain with other aspects of their performance including their ability to quantify uncertainty and their robustness. Recent advances in approximate Bayesian inference hold significant promise for addressing these concerns, but the computational scalability of these methods can be problematic when applied to large-scale models. In this paper, we describe initial work on the development ofURSABench(the Uncertainty, Robustness, Scalability, and Accu-racy Benchmark), an open-source suite of bench-marking tools for comprehensive assessment of approximate Bayesian inference methods with a focus on deep learning-based classification tasks
The neural linear model is a simple adaptive Bayesian linear regression method that has recently been used in a number of problems ranging from Bayesian optimization to reinforcement learning. Despite its apparent successes in these settings, to the best of our knowledge there has been no systematic exploration of its capabilities on simple regression tasks. In this work we characterize these on the UCI datasets, a popular benchmark for Bayesian regression models, as well as on the recently introduced UCI "gap" datasets, which are better tests of out-of-distribution uncertainty. We demonstrate…
Bayesian deep learning seeks to equip deep neural networks with the ability to precisely quantify their predictive uncertainty, and has promised to make deep learning more reliable for safety-critical real-world applications. Yet, existing Bayesian deep learning methods fall short of this promise; new methods continue to be evaluated on unrealistic test beds that do not reflect the complexities of downstream real-world tasks that would benefit most from reliable uncertainty quantification. We propose the RETINA Benchmark, a set of real-world tasks that accurately reflect such complexities and …
In small area estimation, it is sometimes necessary to use model-based methods to produce estimates in areas with little or no data. In official statistics, we often require that some aggregate of small area estimates agree with a national estimate for internal consistency purposes. Enforcing this agreement is referred to as benchmarking, and while methods currently exist to perform benchmarking, few are ideal for applications with non-normal outcomes and benchmarks with uncertainty. Fully Bayesian benchmarking is a theoretically appealing approach insofar as we can obtain posterior distributi…
Taiyuan University of Technology（太原理工大学）；Beihang University（北京航空航天大学）
We present a new method to approximate posterior probabilities of Bayesian Network using Deep Neural Network. Experiment results on several public Bayesian Network datasets shows that Deep Neural Network is capable of learning joint probability distri- bution of Bayesian Network by learning from a few observation and posterior probability distribution pairs with high accuracy. Compared with traditional approximate method likelihood weighting sampling algorithm, our method is much faster and gains higher accuracy in medium sized Bayesian Network. Another advantage of our method is that our meth…
In this paper we extend the work of Smith and Papamichail (1999) and present fast approximate Bayesian algorithms for learning in complex scenarios where at any time frame, the relationships between explanatory state space variables can be described by a Bayesian network that evolve dynamically over time and the observations taken are not necessarily Gaussian. It uses recent developments in approximate Bayesian forecasting methods in combination with more familiar Gaussian propagation algorithms on junction trees. The procedure for learning state parameters from data is given explicitly for co…
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）
Bayesian models quantify uncertainty and facilitate optimal decision-making in downstream applications. For most models, however, practitioners are forced to use approximate inference techniques that lead to sub-optimal decisions due to incorrect posterior predictive distributions. We present a novel approach that corrects for inaccuracies in posterior inference by altering the decision-making process. We train a separate model to make optimal decisions under the approximate posterior, combining interpretable Bayesian modeling with optimization of direct predictive accuracy in a principled fas…
In this paper, we propose an analytical method for performing tractable approximate Gaussian inference (TAGI) in Bayesian neural networks. The method enables the analytical Gaussian inference of the posterior mean vector and diagonal covariance matrix for weights and biases. The method proposed has a computational complexity of $\mathcal{O}(n)$ with respect to the number of parameters $n$, and the tests performed on regression and classification benchmarks confirm that, for a same network architecture, it matches the performance of existing methods relying on gradient backpropagation.
We present a scalable and robust Bayesian inference method for linear state space models. The method is applied to demand forecasting in the context of a large e-commerce platform, paying special attention to intermittent and bursty target statistics. Inference is approximated by the Newton-Raphson algorithm, reduced to linear-time Kalman smoothing, which allows us to operate on several orders of magnitude larger problems than previous related work. In a study on large real-world sales datasets, our method outperforms competing approaches on fast and medium moving items.
Approximate Bayesian inference methods provide a powerful suite of tools for finding approximations to intractable posterior distributions. However, machine learning applications typically involve selecting actions, which -- in a Bayesian setting -- depend on the posterior distribution only via its contribution to expected utility. A growing body of work on loss-calibrated approximate inference methods has therefore sought to develop posterior approximations sensitive to the influence of the utility function. Here we introduce loss-calibrated expectation propagation (Loss-EP), a loss-calibrate…
Tokyo Institute of Technology（东京工业大学）；Hiroshima University（广岛大学）
Cross-validation (CV) is a technique for evaluating the ability of statistical models/learning systems based on a given data set. Despite its wide applicability, the rather heavy computational cost can prevent its use as the system size grows. To resolve this difficulty in the case of Bayesian linear regression, we develop a formula for evaluating the leave-one-out CV error approximately without actually performing CV. The usefulness of the developed formula is tested by statistical mechanical analysis for a synthetic model. This is confirmed by application to a real-world supernova data set a…
Benchmarking Diffusion Annealing-Based Bayesian Inverse Problem Solvers
Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin（奥登计算工程与科学研究所，德克萨斯大学奥斯汀分校）；Dept of Biomedical Engineering, The University of Texas at Austin（生物医学工程系，德克萨斯大学奥斯汀分校）
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…
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…
University of Tübingen（蒂宾根大学）；Max Planck Institute for Intelligent Systems（马克斯·普朗克智能系统研究所）
Full Bayesian posteriors are rarely analytically tractable, which is why real-world Bayesian inference heavily relies on approximate techniques. Approximations generally differ from the true posterior and require diagnostic tools to assess whether the inference can still be trusted. We investigate a new approach to diagnosing approximate inference: the approximation mismatch is attributed to a change in the inductive bias by treating the approximations as exact and reverse-engineering the corresponding prior. We show that the problem is more complicated than it appears to be at first glance, b…
Convolutional neural networks (CNNs) work well on large datasets. But labelled data is hard to collect, and in some applications larger amounts of data are not available. The problem then is how to use CNNs with small data -- as CNNs overfit quickly. We present an efficient Bayesian CNN, offering better robustness to over-fitting on small data than traditional approaches. This is by placing a probability distribution over the CNN's kernels. We approximate our model's intractable posterior with Bernoulli variational distributions, requiring no additional model parameters. On the theoretical sid…
Current approaches in approximate inference for Bayesian neural networks minimise the Kullback-Leibler divergence to approximate the true posterior over the weights. However, this approximation is without knowledge of the final application, and therefore cannot guarantee optimal predictions for a given task. To make more suitable task-specific approximations, we introduce a new loss-calibrated evidence lower bound for Bayesian neural networks in the context of supervised learning, informed by Bayesian decision theory. By introducing a lower bound that depends on a utility function, we ensure t…
Recent advances in deep reinforcement learning have made significant strides in performance on applications such as Go and Atari games. However, developing practical methods to balance exploration and exploitation in complex domains remains largely unsolved. Thompson Sampling and its extension to reinforcement learning provide an elegant approach to exploration that only requires access to posterior samples of the model. At the same time, advances in approximate Bayesian methods have made posterior approximation for flexible neural network models practical. Thus, it is attractive to consider a…
University of Sydney（悉尼大学）；University of New South Wales（新南威尔士大学）
We formalize the problem of learning interdomain correspondences in the absence of paired data as Bayesian inference in a latent variable model (LVM), where one seeks the underlying hidden representations of entities from one domain as entities from the other domain. First, we introduce implicit latent variable models, where the prior over hidden representations can be specified flexibly as an implicit distribution. Next, we develop a new variational inference (VI) algorithm for this model based on minimization of the symmetric Kullback-Leibler (KL) divergence between a variational joint and t…
Understanding the uncertainty of a neural network's (NN) predictions is essential for many purposes. The Bayesian framework provides a principled approach to this, however applying it to NNs is challenging due to large numbers of parameters and data. Ensembling NNs provides an easily implementable, scalable method for uncertainty quantification, however, it has been criticised for not being Bayesian. This work proposes one modification to the usual process that we argue does result in approximate Bayesian inference; regularising parameters about values drawn from a distribution which can be se…
Bayesian optimization has recently emerged as a popular and efficient tool for global optimization and hyperparameter tuning. Currently, the established Bayesian optimization practice requires a user-defined bounding box which is assumed to contain the optimizer. However, when little is known about the probed objective function, it can be difficult to prescribe such bounds. In this work we modify the standard Bayesian optimization framework in a principled way to allow automatic resizing of the search space. We introduce two alternative methods and compare them on two common synthetic benchmar…
Numerical optimization is an important tool in the field of computational physics in general and in nano-optics in specific. It has attracted attention with the increase in complexity of structures that can be realized with nowadays nano-fabrication technologies for which a rational design is no longer feasible. Also, numerical resources are available to enable the computational photonic material design and to identify structures that meet predefined optical properties for specific applications. However, the optimization objective function is in general non-convex and its computation remains r…
Toyota Technological Institute at Chicago（芝加哥丰田技术研究所）
Exact structured inference with neural network scoring functions is computationally challenging but several methods have been proposed for approximating inference. One approach is to perform gradient descent with respect to the output structure directly (Belanger and McCallum, 2016). Another approach, proposed recently, is to train a neural network (an "inference network") to perform inference (Tu and Gimpel, 2018). In this paper, we compare these two families of inference methods on three sequence labeling datasets. We choose sequence labeling because it permits us to use exact inference as a…
We propose a novel algorithm to solve the expectation propagation relaxation of Bayesian inference for continuous-variable graphical models. In contrast to most previous algorithms, our method is provably convergent. By marrying convergent EP ideas from (Opper&Winther 05) with covariance decoupling techniques (Wipf&Nagarajan 08, Nickisch&Seeger 09), it runs at least an order of magnitude faster than the most commonly used EP solver.
Institute of Mathematical Sciences (ICMAT-CSIC)（数学科学研究所（ICMAT-CSIC））；Escuela Politécnica Superior, Universidad Autónoma de Madrid（马德里自治大学高等理工学院）
Neural networks are popular state-of-the-art models for many different tasks.They are often trained via back-propagation to find a value of the weights that correctly predicts the observed data. Although back-propagation has shown good performance in many applications, it cannot easily output an estimate of the uncertainty in the predictions made. Estimating the uncertainty in the predictions is a critical aspect with important applications, and one method to obtain this information is following a Bayesian approach to estimate a posterior distribution on the model parameters. This posterior di…
ETH Zürich（苏黎世联邦理工学院）；Inspire AG（Inspire股份公司）；Oerlikon Metco（欧瑞康美科）
We propose a framework for the configuration and operation of expensive-to-evaluate advanced manufacturing methods, based on Bayesian optimization. The framework unifies a tailored acquisition function, a parallel acquisition procedure, and the integration of process information providing context to the optimization procedure. \cmtb{The novel acquisition function is demonstrated, analyzed and compared on state-of-the-art benchmarking problems. We apply the optimization approach to atmospheric plasma spraying and fused deposition modeling.} Our results demonstrate that the proposed framework ca…
Department of Biostatistics, University of Oslo（奥斯陆大学生物统计系）；Helsinki Institute for Information Technology HIIT, Department of Computer Science, Aalto University（赫尔辛基信息技术研究所，阿尔托大学计算机科学系）
The computational efficiency of approximate Bayesian computation (ABC) has been improved by using surrogate models such as Gaussian processes (GP). In one such promising framework the discrepancy between the simulated and observed data is modelled with a GP which is further used to form a model-based estimator for the intractable posterior. In this article we improve this approach in several ways. We develop batch-sequential Bayesian experimental design strategies to parallellise the expensive simulations. In earlier work only sequential strategies have been used. Current surrogate-based ABC m…
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…
Complex simulators have become a ubiquitous tool in many scientific disciplines, providing high-fidelity, implicit probabilistic models of natural and social phenomena. Unfortunately, they typically lack the tractability required for conventional statistical analysis. Approximate Bayesian computation (ABC) has emerged as a key method in simulation-based inference, wherein the true model likelihood and posterior are approximated using samples from the simulator. In this paper, we draw connections between ABC and generalized Bayesian inference (GBI). First, we re-interpret the accept/reject step…
We consider Bayesian inference problems with computationally intensive likelihood functions. We propose a Gaussian process (GP) based method to approximate the joint distribution of the unknown parameters and the data. In particular, we write the joint density approximately as a product of an approximate posterior density and an exponentiated GP surrogate. We then provide an adaptive algorithm to construct such an approximation, where an active learning method is used to choose the design points. With numerical examples, we illustrate that the proposed method has competitive performance agains…
We consider the problem of approximate Bayesian parameter inference in non-linear state-space models with intractable likelihoods. Sequential Monte Carlo with approximate Bayesian computations (SMC-ABC) is one approach to approximate the likelihood in this type of models. However, such approximations can be noisy and computationally costly which hinders efficient implementations using standard methods based on optimisation and Monte Carlo methods. We propose a computationally efficient novel method based on the combination of Gaussian process optimisation and SMC-ABC to create a Laplace approx…
Approximate Bayesian computation (ABC) is a method for Bayesian inference when the likelihood is unavailable but simulating from the model is possible. However, many ABC algorithms require a large number of simulations, which can be costly. To reduce the computational cost, Bayesian optimisation (BO) and surrogate models such as Gaussian processes have been proposed. Bayesian optimisation enables one to intelligently decide where to evaluate the model next but common BO strategies are not designed for the goal of estimating the posterior distribution. Our paper addresses this gap in the litera…
We address the problem of parameter estimation in models of systems biology from noisy observations. The models we consider are characterized by simultaneous deterministic nonlinear differential equations whose parameters are either taken from in vitro experiments, or are hand-tuned during the model development process to reproduces observations from the system. We consider the family of algorithms coming under the Bayesian formulation of Approximate Bayesian Computation (ABC), and show that sensitivity analysis could be deployed to quantify the relative roles of different parameters in the sy…
Approximate Bayesian Computation (ABC) methods are used to approximate posterior distributions in models with unknown or computationally intractable likelihoods. Both the accuracy and computational efficiency of ABC depend on the choice of summary statistic, but outside of special cases where the optimal summary statistics are known, it is unclear which guiding principles can be used to construct effective summary statistics. In this paper we explore the possibility of automating the process of constructing summary statistics by training deep neural networks to predict the parameters from arti…
This paper provides a review of Approximate Bayesian Computation (ABC) methods for carrying out Bayesian posterior inference, through the lens of density estimation. We describe several recent algorithms and make connection with traditional approaches. We show advantages and limitations of models based on parametric approaches and we then draw attention to developments in machine learning, which we believe have the potential to make ABC scalable to higher dimensions and may be the future direction for research in this area.
The Bayesian lasso is well-known as a Bayesian alternative for Lasso. Although the advantage of the Bayesian lasso is capable of full probabilistic uncertain quantification for parameters, the corresponding posterior distribution can be sensitive to outliers. To overcome such problem, robust Bayesian regression models have been proposed in recent years. In this paper, we consider the robust and efficient estimation for the Bayesian Huberized lasso regression in fully Bayesian perspective. A new posterior computation algorithm for the Bayesian Huberized lasso regression is proposed. The propose…
Approximate Bayesian Computation (ABC) is a popular method for approximate inference in generative models with intractable but easy-to-sample likelihood. It constructs an approximate posterior distribution by finding parameters for which the simulated data are close to the observations in terms of summary statistics. These statistics are defined beforehand and might induce a loss of information, which has been shown to deteriorate the quality of the approximation. To overcome this problem, Wasserstein-ABC has been recently proposed, and compares the datasets via the Wasserstein distance betwee…
Dalian University of Technology（大连理工大学）；University College London（伦敦大学学院）
We present a Bayesian scheme for the approximate diagonalisation of several square matrices which are not necessarily symmetric. A Gibbs sampler is derived to simulate samples of the common eigenvectors and the eigenvalues for these matrices. Several synthetic examples are used to illustrate the performance of the proposed Gibbs sampler and we then provide comparisons to several other joint diagonalization algorithms, which shows that the Gibbs sampler achieves the state-of-the-art performance on the examples considered. As a byproduct, the output of the Gibbs sampler could be used to estimate…
Statistical analysis of max-stable processes used to model spatial extremes has been limited by the difficulty in calculating the joint likelihood function. This precludes all standard likelihood-based approaches, including Bayesian approaches. In this paper we present a Bayesian approach through the use of approximate Bayesian computing. This circumvents the need for a joint likelihood function by instead relying on simulations from the (unavailable) likelihood. This method is compared with an alternative approach based on the composite likelihood. We demonstrate that approximate Bayesian com…
Although approximate Bayesian computation (ABC) has become a popular technique for performing parameter estimation when the likelihood functions are analytically intractable there has not as yet been a complete investigation of the theoretical properties of the resulting estimators. In this paper we give a theoretical analysis of the asymptotic properties of ABC based parameter estimators for hidden Markov models and show that ABC based estimators satisfy asymptotically biased versions of the standard results in the statistical literature.
The aghq package for implementing approximate Bayesian inference using adaptive quadrature is introduced. The method and software are described, and use of the package in making approximate Bayesian inferences in several challenging low- and high-dimensional models is illustrated. Examples include an infectious disease model; an astrostatistical model for estimating the mass of the Milky Way; two examples in non-Gaussian model-based geostatistics including one incorporating zero-inflation which is not easily fit using other methods; and a model for zero-inflated, overdispersed count data. The …
Approximate Bayesian computation (ABC) methods, which are applicable when the likelihood is difficult or impossible to calculate, are an active topic of current research. Most current ABC algorithms directly approximate the posterior distribution, but an alternative, less common strategy is to approximate the likelihood function. This has several advantages. First, in some problems, it is easier to approximate the likelihood than to approximate the posterior. Second, an approximation to the likelihood allows reference analyses to be constructed based solely on the likelihood. Third, it is stra…
Approximate Bayesian computation (ABC) is a family of computational techniques in Bayesian statistics. These techniques allow to fi t a model to data without relying on the computation of the model likelihood. They instead require to simulate a large number of times the model to be fi tted. A number of re finements to the original rejection-based ABC scheme have been proposed, including the sequential improvement of posterior distributions. This technique allows to de- crease the number of model simulations required, but it still presents several shortcomings which are particu- larly problemat…
We describe a simple method for making inference on a functional of a multivariate distribution. The method is based on a copula representation of the multivariate distribution and it is based on the properties of an Approximate Bayesian Monte Carlo algorithm, where the proposed values of the functional of interest are weighed in terms of their empirical likelihood. This method is particularly useful when the "true" likelihood function associated with the working model is too costly to evaluate or when the working model is only partially specified.
In this paper we show that there is a link between approximate Bayesian methods and prior robustness. We show that what is typically recognized as an approximation to the likelihood, either due to the simulated data as in the Approximate Bayesian Computation (ABC) methods or due to the functional approximation to the likelihood, can instead also be viewed upon as an implicit exercise in prior robustness. We first define two new classes of priors for the cases where the sufficient statistics is available, establish their mathematical properties and show, for a simple illustrative example, that …
We propose a novel Bayesian nonparametric method for hierarchical modelling on a set of related density functions, where grouped data in the form of samples from each density function are available. Borrowing strength across the groups is a major challenge in this context. To address this problem, we introduce a hierarchically structured prior, defined over a set of univariate density functions, using convenient transformations of Gaussian processes. Inference is performed through approximate Bayesian computation (ABC), via a novel functional regression adjustment. The performance of the propo…
Also known as likelihood-free methods, approximate Bayesian computational (ABC) methods have appeared in the past ten years as the most satisfactory approach to untractable likelihood problems, first in genetics then in a broader spectrum of applications. However, these methods suffer to some degree from calibration difficulties that make them rather volatile in their implementation and thus render them suspicious to the users of more traditional Monte Carlo methods. In this survey, we study the various improvements and extensions made to the original ABC algorithm over the recent years.
