Andrew Gelman, Aki Vehtari, Daniel Simpson, Charles C. Margossian, Bob Carpenter, Yuling Yao, Lauren Kennedy, Jonah Gabry, Paul-Christian Bürkner, Martin Modrák
The Bayesian approach to data analysis provides a powerful way to handle uncertainty in all observations, model parameters, and model structure using probability theory. Probabilistic programming languages make it easier to specify and fit Bayesian models, but this still leaves us with many options regarding constructing, evaluating, and using these models, along with many remaining challenges in computation. Using Bayesian inference to solve real-world problems requires not only statistical skills, subject matter knowledge, and programming, but also awareness of the decisions made in the process of data analysis. All of these aspects can be understood as part of a tangled workflow of applied Bayesian statistics. Beyond inference, the workflow also includes iterative model building, model checking, validation and troubleshooting of computational problems, model understanding, and model comparison. We review all these aspects of workflow in the context of several examples, keeping in mind that in practice we will be fitting many models for any given problem, even if only a subset of them will ultimately be relevant for our conclusions.
Experiments in research on memory, language, and in other areas of cognitive science are increasingly being analyzed using Bayesian methods. This has been facilitated by the development of probabilistic programming languages such as Stan, and easily accessible front-end packages such as brms. The utility of Bayesian methods, however, ultimately depends on the relevance of the Bayesian model, in particular whether or not it accurately captures the structure of the data and the data analyst's domain expertise. Even with powerful software, the analyst is responsible for verifying the utility of t…
Bayesian data analysis is about more than just computing a posterior distribution, and Bayesian visualization is about more than trace plots of Markov chains. Practical Bayesian data analysis, like all data analysis, is an iterative process of model building, inference, model checking and evaluation, and model expansion. Visualization is helpful in each of these stages of the Bayesian workflow and it is indispensable when drawing inferences from the types of modern, high-dimensional models that are used by applied researchers.
Scientists often must simultaneously localize and discover signals. For instance, in genetic fine-mapping, high correlations between nearby genetic variants make it hard to identify the exact locations of causal variants. So the statistical task is to output as many disjoint regions containing a signal as possible, each as small as possible, while controlling false positives. Similar problems arise in any application where signals cannot be perfectly localized, such as locating stars in astronomical surveys and changepoint detection in sequential data. Common Bayesian approaches to these probl…
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…
University of Helsinki（赫尔辛基大学）；ELLIS Institute Finland, Aalto University（芬兰埃利斯研究所、阿尔托大学）；TU Dortmund University（多特蒙德技术大学）；Rensselaer Polytechnic Institute（伦斯勒理工学院）；Independent Scientist（独立研究者）
Verifying the correctness of Bayesian computation is challenging. This is especially true for complex models that are common in practice, as these require sophisticated model implementations and algorithms. In this paper we introduce \emph{simulation-based calibration} (SBC), a general procedure for validating inferences from Bayesian algorithms capable of generating posterior samples. This procedure not only identifies inaccurate computation and inconsistencies in model implementations but also provides graphical summaries that can indicate the nature of the problems that arise. We argue that…
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…
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…
London School of Economics and Political Science（伦敦政治经济学院）
This dissertation investigates integer linear programming (ILP) formulation of Bayesian Network structure learning problem. We review the definition and key properties of Bayesian network and explain score metrics used to measure how well certain Bayesian network structure fits the dataset. We outline the integer linear programming formulation based on the decomposability of score metrics. In order to ensure acyclicity of the structure, we add ``cluster constraints'' developed specifically for Bayesian network, in addition to cycle constraints applicable to directed acyclic graphs in general. …
This tutorial shows how to build, fit, and criticize disease transmission models in Stan, and should be useful to researchers interested in modeling the SARS-CoV-2 pandemic and other infectious diseases in a Bayesian framework. Bayesian modeling provides a principled way to quantify uncertainty and incorporate both data and prior knowledge into the model estimates. Stan is an expressive probabilistic programming language that abstracts the inference and allows users to focus on the modeling. As a result, Stan code is readable and easily extensible, which makes the modeler's work more transpare…
This paper presents a machine learning framework for Bayesian systems identification from noisy, sparse and irregular observations of nonlinear dynamical systems. The proposed method takes advantage of recent developments in differentiable programming to propagate gradient information through ordinary differential equation solvers and perform Bayesian inference with respect to unknown model parameters using Hamiltonian Monte Carlo. This allows us to efficiently infer posterior distributions over plausible models with quantified uncertainty, while the use of sparsity-promoting priors enables th…
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…
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…
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…
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…
MCMC methods for sampling from the space of DAGs can mix poorly due to the local nature of the proposals that are commonly used. It has been shown that sampling from the space of node orders yields better results [FK03, EW06]. Recently, Koivisto and Sood showed how one can analytically marginalize over orders using dynamic programming (DP) [KS04, Koi06]. Their method computes the exact marginal posterior edge probabilities, thus avoiding the need for MCMC. Unfortunately, there are four drawbacks to the DP technique: it can only use modular priors, it can only compute posteriors over modular fe…
COBRA-PPM: A Causal Bayesian Reasoning Architecture Using Probabilistic Programming for Robot Manipulation Under Uncertainty
Oxford Robotics Institute, Dept. Engineering Science, University of Oxford, UK（牛津大学机器人研究所）；Microsoft Research, Redmond, WA, USA（微软研究院）；Bristol Robotics Laboratory, School of Engineering, University of the West of England, Bristol, UK（布里斯托尔机器人实验室）
Compute and memory constraints have historically prevented traffic simulation software users from fully utilizing the predictive models underlying them. When calibrating car-following models, particularly, accommodations have included 1) using sensitivity analysis to limit the number of parameters to be calibrated, and 2) identifying only one set of parameter values using data collected from multiple car-following instances across multiple drivers. Shortcuts are further motivated by insufficient data set sizes, for which a driver may have too few instances to fully account for the variation in…
The two key issues of modern Bayesian statistics are: (i) establishing principled approach for distilling statistical prior that is consistent with the given data from an initial believable scientific prior; and (ii) development of a Bayes-frequentist consolidated data analysis workflow that is more effective than either of the two separately. In this paper, we propose the idea of "Bayes via goodness of fit" as a framework for exploring these fundamental questions, in a way that is general enough to embrace almost all of the familiar probability models. Several illustrative examples show the b…
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 …
While the choice of prior is one of the most critical parts of the Bayesian inference workflow, recent Bayesian deep learning models have often fallen back on vague priors, such as standard Gaussians. In this review, we highlight the importance of prior choices for Bayesian deep learning and present an overview of different priors that have been proposed for (deep) Gaussian processes, variational autoencoders, and Bayesian neural networks. We also outline different methods of learning priors for these models from data. We hope to motivate practitioners in Bayesian deep learning to think more c…
Two main obstacles preventing the widespread adoption of variational Bayesian neural networks are the high parameter overhead that makes them infeasible on large networks, and the difficulty of implementation, which can be thought of as "programming overhead." MC dropout [Gal and Ghahramani, 2016] is popular because it sidesteps these obstacles. Nevertheless, dropout is often harmful to model performance when used in networks with batch normalization layers [Li et al., 2018], which are an indispensable part of modern neural networks. We construct a general variational family for ensemble-based…
Northwestern University（西北大学）；University of Washington（华盛顿大学）；National Yang Ming Chiao Tung University（阳明交通大学）
Bayesian Networks (BNs) represent conditional probability relations among a set of random variables (nodes) in the form of a directed acyclic graph (DAG), and have found diverse applications in knowledge discovery. We study the problem of learning the sparse DAG structure of a BN from continuous observational data. The central problem can be modeled as a mixed-integer program with an objective function composed of a convex quadratic loss function and a regularization penalty subject to linear constraints. The optimal solution to this mathematical program is known to have desirable statistical …
A Practitioner's Guide to Bayesian Inference in Pharmacometrics using Pumas
Pumas-AI Inc.（Pumas-AI公司）；University of Sydney（悉尼大学）；Universidade Nove de Julho - UNINOVE（七月九日大学）；Gilead Sciences Inc.（吉利德科学公司）；JuliaHub (formerly JuliaComputing) Inc.（JuliaHub（原JuliaComputing）公司）；Massachusetts Institute of Technology（麻省理工学院）；University of Maryland Baltimore（马里兰大学巴尔的摩分校）
Bayesian hybrid models fuse physics-based insights with machine learning constructs to correct for systematic bias. In this paper, we compare Bayesian hybrid models against physics-based glass-box and Gaussian process black-box surrogate models. We consider ballistic firing as an illustrative case study for a Bayesian decision-making workflow. First, Bayesian calibration is performed to estimate model parameters. We then use the posterior distribution from Bayesian analysis to compute optimal firing conditions to hit a target via a single-stage stochastic program. The case study demonstrates t…
University of Wisconsin–Madison（威斯康星大学麦迪逊分校）；Morgridge Institute for Research（莫格里奇研究所）
Cells regulate themselves via dizzyingly complex biochemical processes called signaling pathways. These are usually depicted as a network, where nodes represent proteins and edges indicate their influence on each other. In order to understand diseases and therapies at the cellular level, it is crucial to have an accurate understanding of the signaling pathways at work. Since signaling pathways can be modified by disease, the ability to infer signaling pathways from condition- or patient-specific data is highly valuable. A variety of techniques exist for inferring signaling pathways. We build o…
The design of multiple experiments is commonly undertaken via suboptimal strategies, such as batch (open-loop) design that omits feedback or greedy (myopic) design that does not account for future effects. This paper introduces new strategies for the optimal design of sequential experiments. First, we rigorously formulate the general sequential optimal experimental design (sOED) problem as a dynamic program. Batch and greedy designs are shown to result from special cases of this formulation. We then focus on sOED for parameter inference, adopting a Bayesian formulation with an information theo…
