The key distinguishing property of a Bayesian approach is marginalization, rather than using a single setting of weights. Bayesian marginalization can particularly improve the accuracy and calibration of modern deep neural networks, which are typically underspecified by the data, and can represent many compelling but different solutions. We show that deep ensembles provide an effective mechanism for approximate Bayesian marginalization, and propose a related approach that further improves the predictive distribution by marginalizing within basins of attraction, without significant overhead. We also investigate the prior over functions implied by a vague distribution over neural network weights, explaining the generalization properties of such models from a probabilistic perspective. From this perspective, we explain results that have been presented as mysterious and distinct to neural network generalization, such as the ability to fit images with random labels, and show that these results can be reproduced with Gaussian processes. We also show that Bayesian model averaging alleviates double descent, resulting in monotonic performance improvements with increased flexibility. Finally, we provide a Bayesian perspective on tempering for calibrating predictive distributions.
In Bayesian classification, it is important to establish a probabilistic model for each class for likelihood estimation. Most of the previous methods modeled the probability distribution in the whole sample space. However, real-world problems are usually too complex to model in the whole sample space; some fundamental assumptions are required to simplify the global model, for example, the class conditional independence assumption for naive Bayesian classification. In this paper, with the insight that the distribution in a local sample space should be simpler than that in the whole sample space…
Bayesian neural networks provide a direct and natural way to extend standard deep neural networks to support probabilistic deep learning through the use of probabilistic layers that, traditionally, encode weight (and bias) uncertainty. In particular, hybrid Bayesian neural networks utilize standard deterministic layers together with few probabilistic layers judicially positioned in the networks for uncertainty estimation. A major aspect and benefit of Bayesian inference is that priors, in principle, provide the means to encode prior knowledge for use in inference and prediction. However, it is…
We study probabilistic safety for Bayesian Neural Networks (BNNs) under adversarial input perturbations. Given a compact set of input points, $T \subseteq \mathbb{R}^m$, we study the probability w.r.t. the BNN posterior that all the points in $T$ are mapped to the same region $S$ in the output space. In particular, this can be used to evaluate the probability that a network sampled from the BNN is vulnerable to adversarial attacks. We rely on relaxation techniques from non-convex optimization to develop a method for computing a lower bound on probabilistic safety for BNNs, deriving explicit pr…
Probabilistic vehicle trajectory prediction is essential for robust safety of autonomous driving. Current methods for long-term trajectory prediction cannot guarantee the physical feasibility of predicted distribution. Moreover, their models cannot adapt to the driving policy of the predicted target human driver. In this work, we propose to overcome these two shortcomings by a Bayesian recurrent neural network model consisting of Bayesian-neural-network-based policy model and known physical model of the scenario. Bayesian neural network can ensemble complicated output distribution, enabling ri…
Universitat Politècnica de València（瓦伦西亚理工大学）；Universidad Autónoma de Madrid（马德里自治大学）
Deep Neural Networks (DNNs) have achieved state-of-the-art accuracy performance in many tasks. However, recent works have pointed out that the outputs provided by these models are not well-calibrated, seriously limiting their use in critical decision scenarios. In this work, we propose to use a decoupled Bayesian stage, implemented with a Bayesian Neural Network (BNN), to map the uncalibrated probabilities provided by a DNN to calibrated ones, consistently improving calibration. Our results evidence that incorporating uncertainty provides more reliable probabilistic models, a critical conditio…
On Cold Posteriors of Probabilistic Neural Networks: Understanding the Cold Posterior Effect and A New Way to Learn Cold Posteriors with Tight Generalization Guarantees
The Alan Turing Institute（艾伦·图灵研究所）；University of Warwick（华威大学）
This paper demonstrates the application of Bayesian Artificial Neural Networks to Ordinary Differential Equation (ODE) inverse problems. We consider the case of estimating an unknown chaotic dynamical system transition model from state observation data. Inverse problems for chaotic systems are numerically challenging as small perturbations in model parameters can cause very large changes in estimated forward trajectories. Bayesian Artificial Neural Networks can be used to simultaneously fit a model and estimate model parameter uncertainty. Knowledge of model parameter uncertainty can then be i…
Industrial applications frequently pose a notorious challenge for state-of-the-art methods in the contexts of optimization, designing experiments and modeling unknown physical response. This problem is aggravated by limited availability of clean data, uncertainty in available physics-based models and additional logistic and computational expense associated with experiments. In such a scenario, Bayesian methods have played an impactful role in alleviating the aforementioned obstacles by quantifying uncertainty of different types under limited resources. These methods, usually deployed as a fram…
University of Kassel（卡塞尔大学）；Utrecht University（乌得勒支大学）
Gathering labeled data to train well-performing machine learning models is one of the critical challenges in many applications. Active learning aims at reducing the labeling costs by an efficient and effective allocation of costly labeling resources. In this article, we propose a decision-theoretic selection strategy that (1) directly optimizes the gain in misclassification error, and (2) uses a Bayesian approach by introducing a conjugate prior distribution to determine the class posterior to deal with uncertainties. By reformulating existing selection strategies within our proposed model, we…
Eindhoven University of Technology（埃因霍温理工大学）；KU Leuven（鲁汶大学）；Graz University of Technology（格拉茨理工大学）
Probabilistic circuits (PCs) are a prominent representation of probability distributions with tractable inference. While parameter learning in PCs is rigorously studied, structure learning is often more based on heuristics than on principled objectives. In this paper, we develop Bayesian structure scores for deterministic PCs, i.e., the structure likelihood with parameters marginalized out, which are well known as rigorous objectives for structure learning in probabilistic graphical models. When used within a greedy cutset algorithm, our scores effectively protect against overfitting and yield…
A Data-Driven Probabilistic Framework for Cascading Urban Risk Analysis Using Bayesian Networks
Department of Computer Science and Engineering, School of Computing, Coimbatore, Amrita Vishwa Vidyapeetham, Tamil Nadu, India（计算机科学与工程系，计算学院，科瓦尔，阿米塔大学文理学院，泰米尔纳德邦，印度）
I propose a novel approach for nonlinear Logistic regression using a two-layer neural network (NN) model structure with hierarchical priors on the network weights. I present a hybrid of expectation propagation called Variational Expectation Propagation approach (VEP) for approximate integration over the posterior distribution of the weights, the hierarchical scale parameters of the priors and zeta. Using a factorized posterior approximation I derive a computationally efficient algorithm, whose complexity scales similarly to an ensemble of independent sparse logistic models. The approach can be…
Optimizing an expensive-to-query function is a common task in science and engineering, where it is beneficial to keep the number of queries to a minimum. A popular strategy is Bayesian optimization (BO), which leverages probabilistic models for this task. Most BO today uses Gaussian processes (GPs), or a few other surrogate models. However, there is a broad set of Bayesian modeling techniques that could be used to capture complex systems and reduce the number of queries in BO. Probabilistic programming languages (PPLs) are modern tools that allow for flexible model definition, prior specificat…
Large multilayer neural networks trained with backpropagation have recently achieved state-of-the-art results in a wide range of problems. However, using backprop for neural net learning still has some disadvantages, e.g., having to tune a large number of hyperparameters to the data, lack of calibrated probabilistic predictions, and a tendency to overfit the training data. In principle, the Bayesian approach to learning neural networks does not have these problems. However, existing Bayesian techniques lack scalability to large dataset and network sizes. In this work we present a novel scalabl…
We design a new myopic strategy for a wide class of sequential design of experiment (DOE) problems, where the goal is to collect data in order to to fulfil a certain problem specific goal. Our approach, Myopic Posterior Sampling (MPS), is inspired by the classical posterior (Thompson) sampling algorithm for multi-armed bandits and leverages the flexibility of probabilistic programming and approximate Bayesian inference to address a broad set of problems. Empirically, this general-purpose strategy is competitive with more specialised methods in a wide array of DOE tasks, and more importantly, e…
INRIA, SIERRA Project-Team（法国国家信息与自动化研究所，SIERRA项目组）；D.I., Ecole Normale Superieure（巴黎高等师范学校计算机科学系）；Univ Lyon, UJM-Saint-Etienne, CNRS, IOGS, Laboratoire Hubert Curien UMR 5516（里昂大学，圣艾蒂安让·莫内大学，法国国家科学研究中心，IOGS，于贝尔·居里安实验室）；Université Laval（拉瓦尔大学）
We study the issue of PAC-Bayesian domain adaptation: We want to learn, from a source domain, a majority vote model dedicated to a target one. Our theoretical contribution brings a new perspective by deriving an upper-bound on the target risk where the distributions' divergence---expressed as a ratio---controls the trade-off between a source error measure and the target voters' disagreement. Our bound suggests that one has to focus on regions where the source data is informative.From this result, we derive a PAC-Bayesian generalization bound, and specialize it to linear classifiers. Then, we i…
There is renewed interest in formulating integration as an inference problem, motivated by obtaining a full distribution over numerical error that can be propagated through subsequent computation. Current methods, such as Bayesian Quadrature, demonstrate impressive empirical performance but lack theoretical analysis. An important challenge is to reconcile these probabilistic integrators with rigorous convergence guarantees. In this paper, we present the first probabilistic integrator that admits such theoretical treatment, called Frank-Wolfe Bayesian Quadrature (FWBQ). Under FWBQ, convergence …
Probabilistic models analyze data by relying on a set of assumptions. Data that exhibit deviations from these assumptions can undermine inference and prediction quality. Robust models offer protection against mismatch between a model's assumptions and reality. We propose a way to systematically detect and mitigate mismatch of a large class of probabilistic models. The idea is to raise the likelihood of each observation to a weight and then to infer both the latent variables and the weights from data. Inferring the weights allows a model to identify observations that match its assumptions and d…
University of Massachusetts（马萨诸塞大学）；Massachusetts Institute of Technology（麻省理工学院）
Causal inference can be formalized as Bayesian inference that combines a prior distribution over causal models and likelihoods that account for both observations and interventions. We show that it is possible to implement this approach using a sufficiently expressive probabilistic programming language. Priors are represented using probabilistic programs that generate source code in a domain specific language. Interventions are represented using probabilistic programs that edit this source code to modify the original generative process. This approach makes it straightforward to incorporate data…
Kernel Bayesian inference is a principled approach to nonparametric inference in probabilistic graphical models, where probabilistic relationships between variables are learned from data in a nonparametric manner. Various algorithms of kernel Bayesian inference have been developed by combining kernelized basic probabilistic operations such as the kernel sum rule and kernel Bayes' rule. However, the current framework is fully nonparametric, and it does not allow a user to flexibly combine nonparametric and model-based inferences. This is inefficient when there are good probabilistic models (or …
Deep ensembles can be considered as the current state-of-the-art for uncertainty quantification in deep learning. While the approach was originally proposed as a non-Bayesian technique, arguments supporting its Bayesian footing have been put forward as well. We show that deep ensembles can be viewed as an approximate Bayesian method by specifying the corresponding assumptions. Our findings lead to an improved approximation which results in an enlarged epistemic part of the uncertainty. Numerical examples suggest that the improved approximation can lead to more reliable uncertainties. Analytica…
Data cleaning is naturally framed as probabilistic inference in a generative model of ground-truth data and likely errors, but the diversity of real-world error patterns and the hardness of inference make Bayesian approaches difficult to automate. We present PClean, a probabilistic programming language (PPL) for leveraging dataset-specific knowledge to automate Bayesian cleaning. Compared to general-purpose PPLs, PClean tackles a restricted problem domain, enabling three modeling and inference innovations: (1) a non-parametric model of relational database instances, which users' programs custo…
The emergent field of probabilistic numerics has thus far lacked clear statistical principals. This paper establishes Bayesian probabilistic numerical methods as those which can be cast as solutions to certain inverse problems within the Bayesian framework. This allows us to establish general conditions under which Bayesian probabilistic numerical methods are well-defined, encompassing both non-linear and non-Gaussian models. For general computation, a numerical approximation scheme is proposed and its asymptotic convergence established. The theoretical development is then extended to pipeline…
Matrix factorization (MF) has become a common approach to collaborative filtering, due to ease of implementation and scalability to large data sets. Two existing drawbacks of the basic model is that it does not incorporate side information on either users or items, and assumes a common variance for all users. We extend the work of constrained probabilistic matrix factorization by deriving the Gibbs updates for the side feature vectors for items (Salakhutdinov and Minh, 2008). We show that this Bayesian treatment to the constrained PMF model outperforms simple MAP estimation. We also consider e…
Tsinghua University（清华大学）；University of Toronto（多伦多大学）
In this paper we introduce ZhuSuan, a python probabilistic programming library for Bayesian deep learning, which conjoins the complimentary advantages of Bayesian methods and deep learning. ZhuSuan is built upon Tensorflow. Unlike existing deep learning libraries, which are mainly designed for deterministic neural networks and supervised tasks, ZhuSuan is featured for its deep root into Bayesian inference, thus supporting various kinds of probabilistic models, including both the traditional hierarchical Bayesian models and recent deep generative models. We use running examples to illustrate th…
University of Oxford（牛津大学）；Northeastern University（东北大学）
We present the first general purpose framework for marginal maximum a posteriori estimation of probabilistic program variables. By using a series of code transformations, the evidence of any probabilistic program, and therefore of any graphical model, can be optimized with respect to an arbitrary subset of its sampled variables. To carry out this optimization, we develop the first Bayesian optimization package to directly exploit the source code of its target, leading to innovations in problem-independent hyperpriors, unbounded optimization, and implicit constraint satisfaction; delivering sig…
University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；University of California, Berkeley（加州大学伯克利分校）；Rice University（莱斯大学）
Bayesian coresets have emerged as a promising approach for implementing scalable Bayesian inference. The Bayesian coreset problem involves selecting a (weighted) subset of the data samples, such that the posterior inference using the selected subset closely approximates the posterior inference using the full dataset. This manuscript revisits Bayesian coresets through the lens of sparsity constrained optimization. Leveraging recent advances in accelerated optimization methods, we propose and analyze a novel algorithm for coreset selection. We provide explicit convergence rate guarantees and pre…
The idea of computer vision as the Bayesian inverse problem to computer graphics has a long history and an appealing elegance, but it has proved difficult to directly implement. Instead, most vision tasks are approached via complex bottom-up processing pipelines. Here we show that it is possible to write short, simple probabilistic graphics programs that define flexible generative models and to automatically invert them to interpret real-world images. Generative probabilistic graphics programs consist of a stochastic scene generator, a renderer based on graphics software, a stochastic likeliho…
We formulate probabilistic numerical approximations to solutions of ordinary differential equations (ODEs) as problems in Gaussian process (GP) regression with non-linear measurement functions. This is achieved by defining the measurement sequence to consist of the observations of the difference between the derivative of the GP and the vector field evaluated at the GP---which are all identically zero at the solution of the ODE. When the GP has a state-space representation, the problem can be reduced to a non-linear Bayesian filtering problem and all widely-used approximations to the Bayesian f…
Probabilistic programming allows specification of probabilistic models in a declarative manner. Recently, several new software systems and languages for probabilistic programming have been developed on the basis of newly developed and improved methods for approximate inference in probabilistic models. In this contribution a probabilistic model for an idealized dark matter localization problem is described. We first derive the probabilistic model for the inference of dark matter locations and masses, and then show how this model can be implemented using BUGS and Infer.NET, two software systems …
Imperial College London（帝国理工学院）；Brown University（布朗大学）；University of Oxford（牛津大学）；University College London（伦敦大学学院）
Bayesian quadrature (BQ) is a method for solving numerical integration problems in a Bayesian manner, which allows users to quantify their uncertainty about the solution. The standard approach to BQ is based on a Gaussian process (GP) approximation of the integrand. As a result, BQ is inherently limited to cases where GP approximations can be done in an efficient manner, thus often prohibiting very high-dimensional or non-smooth target functions. This paper proposes to tackle this issue with a new Bayesian numerical integration algorithm based on Bayesian Additive Regression Trees (BART) prior…
We present new techniques for automatically constructing probabilistic programs for data analysis, interpretation, and prediction. These techniques work with probabilistic domain-specific data modeling languages that capture key properties of a broad class of data generating processes, using Bayesian inference to synthesize probabilistic programs in these modeling languages given observed data. We provide a precise formulation of Bayesian synthesis for automatic data modeling that identifies sufficient conditions for the resulting synthesis procedure to be sound. We also derive a general class…
The output of solar power generation is significantly dependent on the available solar radiation. Thus, with the proliferation of PV generation in the modern power grid, forecasting of solar irradiance is vital for proper operation of the grid. To achieve an improved accuracy in prediction performance, this paper discusses a Bayesian treatment of probabilistic forecasting. The approach is demonstrated using publicly available data obtained from the Florida Automated Weather Network (FAWN). The algorithm is developed in Python and the results are compared with point forecasts, other probabilist…
This paper develops meshless methods for probabilistically describing discretisation error in the numerical solution of partial differential equations. This construction enables the solution of Bayesian inverse problems while accounting for the impact of the discretisation of the forward problem. In particular, this drives statistical inferences to be more conservative in the presence of significant solver error. Theoretical results are presented describing rates of convergence for the posteriors in both the forward and inverse problems. This method is tested on a challenging inverse problem w…
Network metrics form a fundamental part of the network analysis toolbox. Used to quantitatively measure different aspects of the network, these metrics can give insights into the underlying network structure and function. In this work, we connect network metrics to modern probabilistic machine learning. We focus on the centrality metric, which is used a wide variety of applications from web search to gene-analysis. First, we formulate an eigenvector-based Bayesian centrality model for determining node importance. Compared to existing methods, our probabilistic model allows for the assimilation…
In this paper we develop a functorial language of probabilistic morphisms and apply it to some basic problems in Bayesian nonparametrics. First we extend and unify the Kleisli category of probabilistic morphisms proposed by Lawvere and Giry with the category of statistical models proposed by Chentsov and Morse-Sacksteder. Then we introduce the notion of a Bayesian statistical model that formalizes the notion of a parameter space with a given prior distribution in Bayesian statistics. {We revisit the existence of a posterior distribution, using probabilistic morphisms}. In particular, we give a…
Many modern data analysis problems involve inferences from streaming data. However, streaming data is not easily amenable to the standard probabilistic modeling approaches, which assume that we condition on finite data. We develop population variational Bayes, a new approach for using Bayesian modeling to analyze streams of data. It approximates a new type of distribution, the population posterior, which combines the notion of a population distribution of the data with Bayesian inference in a probabilistic model. We study our method with latent Dirichlet allocation and Dirichlet process mixtur…
We introduce the Locally Linear Latent Variable Model (LL-LVM), a probabilistic model for non-linear manifold discovery that describes a joint distribution over observations, their manifold coordinates and locally linear maps conditioned on a set of neighbourhood relationships. The model allows straightforward variational optimisation of the posterior distribution on coordinates and locally linear maps from the latent space to the observation space given the data. Thus, the LL-LVM encapsulates the local-geometry preserving intuitions that underlie non-probabilistic methods such as locally line…
It is known that describing or calculating the conditional probabilities of multiple events is exponentially expensive. In this work, Bayesian tensor network (BTN) is proposed to efficiently capture the conditional probabilities of multiple sets of events with polynomial complexity. BTN is a directed acyclic graphical model that forms a subset of TN. To testify its validity for exponentially many events, BTN is implemented to the image recognition, where the classification is mapped to capturing the conditional probabilities in an exponentially large sample space. Competitive performance is ac…
Probabilistic Geometric Alignment via Bayesian Latent Transport for Domain-Adaptive Foundation Models
School of Information, Computer；Communication Technology Sirindhorn International Institute of Technology, Thammasat University Pathumthani, Thailand 0009-0006-4313-7359；epartment of Architecture, Faculty of Architecture Khon Kaen University Khon Kaen, Thailand
Optimizing expensive-to-evaluate black-box functions of discrete (and potentially continuous) design parameters is a ubiquitous problem in scientific and engineering applications. Bayesian optimization (BO) is a popular, sample-efficient method that leverages a probabilistic surrogate model and an acquisition function (AF) to select promising designs to evaluate. However, maximizing the AF over mixed or high-cardinality discrete search spaces is challenging standard gradient-based methods cannot be used directly or evaluating the AF at every point in the search space would be computationally p…
Bayesian inference involves the specification of a statistical model by a statistician or practitioner, with careful thought about what each parameter represents. This results in particularly interpretable models which can be used to explain relationships present in the observed data. Bayesian models are useful when an experiment has only a small number of observations and in applications where transparency of data driven decisions is important. Traditionally, parameter inference in Bayesian statistics has involved constructing bespoke MCMC (Markov chain Monte Carlo) schemes for each newly pro…
We propose a method for obtaining joint probabilistic projections of migration rates for all countries, broken down by age and sex. Joint trajectories for all countries are constrained to satisfy the requirement of zero global net migration. We evaluate our model using out-of-sample validation and compare point projections to the projected migration rates from a persistence model similar to the method used in the United Nations' World Population Prospects, and also to a state of the art gravity model. We also resolve an apparently paradoxical discrepancy between growth trends in the proportion…
The discovery of genomic polymorphisms influencing gene expression (also known as expression quantitative trait loci or eQTLs) can be formulated as a sparse Bayesian multivariate/multiple regression problem. An important aspect in the development of such models is the implementation of bespoke inference methodologies, a process which can become quite laborious, when multiple candidate models are being considered. We describe automatic, black-box inference in such models using Stan, a popular probabilistic programming language. The utilisation of systems like Stan can facilitate model prototypi…
Gaussian processes are powerful non-parametric probabilistic models for stochastic functions. However, the direct implementation entails a complexity that is computationally intractable when the number of observations is large, especially when estimated with fully Bayesian methods such as Markov chain Monte Carlo. In this paper, we focus on a low-rank approximate Bayesian Gaussian processes, based on a basis function approximation via Laplace eigenfunctions for stationary covariance functions. The main contribution of this paper is a detailed analysis of the performance, and practical recommen…
The use of high-power industrial equipment, such as large-scale mixing equipment or a hydrocyclone for separation of particles in liquid suspension, demands careful monitoring to ensure correct operation. The fundamental task of state-estimation for the liquid suspension can be posed as a time-evolving inverse problem and solved with Bayesian statistical methods. In this paper, we extend Bayesian methods to incorporate statistical models for the error that is incurred in the numerical solution of the physical governing equations. This enables full uncertainty quantification within a principled…
