This paper presents two case studies of data sets where the main inferential goal is to characterize time-varying patterns in model structure. Both of these examples are seen to be general cases of the so-called "partition problem," where auxiliary information (in this case, time) defines a partition over sample space, and where different models hold for each element of the partition. In the first case study, we identify time-varying graphical structure in the covariance matrix of asset returns from major European equity indices from 2006--2010. This structure has important implications for quantifying the notion of financial contagion, a term often mentioned in the context of the European sovereign debt crisis of this period. In the second case study, we screen a large database of historical corporate performance in order to identify specific firms with impressively good (or bad) streaks of performance.
We present new multi-test Bayesian optimization models and algorithms for use in large scale material screening applications. Our screening problems are designed around two tests, one expensive and one cheap. This paper differs from other recent work on multi-test Bayesian optimization through use of a flexible model that allows for complex, non-linear relationships between the cheap and expensive test scores. This additional modeling flexibility is essential in the material screening applications which we describe. We demonstrate the power of our new algorithms on a family of synthetic toy pr…
In climate change study, the infrared spectral signatures of climate change have recently been conceptually adopted, and widely applied to identifying and attributing atmospheric composition change. We propose a Bayesian hierarchical model for spatial clustering of the high-dimensional functional data based on the effects of functional covariates and local features. We couple the functional mixed-effects model with a generalized spatial partitioning method for: (1) producing spatially contiguous clusters for the high-dimensional spatio-functional data; (2) improving the computational efficienc…
Crime prevention strategies based on early intervention depend on accurate risk assessment instruments for identifying high risk youth. It is important in this context that the instruments be convenient to administer, which means, in particular, that they should also be reasonably brief; adaptive screening tests are useful for this purpose. Adaptive tests constructed using classification and regression trees are becoming a popular alternative to traditional Item Response Theory (IRT) approaches for adaptive testing. However, tree-based adaptive tests lack a principled criterion for terminating…
Evolutionary Structural Shift in Security Screening Sensitivity within the U.S. Aviation Network: A 15-Year Longitudinal Bayesian Assessment (2010-2024)
Scalar-on-image regression aims to investigate changes in a scalar response of interest based on high-dimensional imaging data. We propose a novel Bayesian nonparametric scalar-on-image regression model that utilises the spatial coordinates of the voxels to group voxels with similar effects on the response to have a common coefficient. We employ the Potts-Gibbs random partition model as the prior for the random partition in which the partition process is spatially dependent, thereby encouraging groups representing spatially contiguous regions. In addition, Bayesian shrinkage priors are utilise…
Feature or variable selection is a problem inherent to large data sets. While many methods have been proposed to deal with this problem, some can scale poorly with the number of predictors in a data set. Screening methods scale linearly with the number of predictors by checking each predictor one at a time, and are a tool used to decrease the number of variables to consider before further analysis or variable selection. For classification, there is a variety of techniques. There are parametric based screening tests, such as t-test or SIS based screening, and non-parametric based screening test…
Washington University in St. Louis（圣路易斯华盛顿大学）；SigOpt（SigOpt公司）
Classical methods for psychometric function estimation either require excessive measurements or produce only a low-resolution approximation of the target psychometric function. In this paper, we propose a novel solution for rapid screening for a change in the psychometric function estimation of a given patient. We use Bayesian active model selection to perform an automated pure-tone audiogram test with the goal of quickly finding if the current audiogram will be different from a previous audiogram. We validate our approach using audiometric data from the National Institute for Occupational Saf…
High-throughput genetic and epigenetic data are often screened for associations with an observed phenotype. For example, one may wish to test hundreds of thousands of genetic variants, or DNA methylation sites, for an association with disease status. These genomic variables can naturally be grouped by the gene they encode, among other criteria. However, standard practice in such applications is independent screening with a universal correction for multiplicity. We propose a Bayesian approach in which the prior probability of an association for a given genomic variable depends on its gene, and …
This article concerns testing for equality of distribution between groups. We focus on screening variables with shared distributional features such as common support, modes and patterns of skewness. We propose a Bayesian testing method using kernel mixtures, which improves performance by borrowing information across the different variables and groups through shared kernels and a common probability of group differences. The inclusion of shared kernels in a finite mixture, with Dirichlet priors on the weights, leads to a simple framework for testing that scales well for high-dimensional data. We…
High throughput screening of compounds (chemicals) is an essential part of drug discovery [7], involving thousands to millions of compounds, with the purpose of identifying candidate hits. Most statistical tools, including the industry standard B-score method, work on individual compound plates and do not exploit cross-plate correlation or statistical strength among plates. We present a new statistical framework for high throughput screening of compounds based on Bayesian nonparametric modeling. The proposed approach is able to identify candidate hits from multiple plates simultaneously, shari…
This article presents a Bayesian approach for predicting and identifying the factors which most influence an individual's propensity to fall into the category of Not in Employment Education or Training (NEET). The approach partitions the covariates into two groups: those which have the potential to be changed as a result of an intervention strategy and those which must be controlled for. This partition allows us to develop models and identify important factors conditional on the control covariates, which is useful for clinicians and policy makers who wish to identify potential intervention str…
Bayes' Theorem confers inherent limitations on the accuracy of screening tests as a function of disease prevalence. We have shown in previous work that a testing system can tolerate significant drops in prevalence, up until a certain well-defined point known as the $prevalence$ $threshold$, below which the reliability of a positive screening test drops precipitously. Herein, we establish a mathematical model to determine whether sequential testing overcomes the aforementioned Bayesian limitations and thus improves the reliability of screening tests. We show that for a desired positive predicti…
The Chinese University of Hong Kong, Shenzhen（香港中文大学（深圳））
In high-dimensional settings, sparse structures are critical for efficiency in term of memory and computation complexity. For a linear system, to find the sparsest solution provided with an over-complete dictionary of features directly is typically NP-hard, and thus alternative approximate methods should be considered. In this paper, our choice for alternative method is sparse Bayesian learning, which, as empirical Bayesian approaches, uses a parameterized prior to encourage sparsity in solution, rather than the other methods with fixed priors such as LASSO. Screening test, however, aims at qu…
Network data often exhibit block structures characterized by clusters of nodes with similar patterns of edge formation. When such relational data are complemented by additional information on exogenous node partitions, these sources of knowledge are typically included in the model to supervise the cluster assignment mechanism or to improve inference on edge probabilities. Although these solutions are routinely implemented, there is a lack of formal approaches to test if a given external node partition is in line with the endogenous clustering structure encoding stochastic equivalence patterns …
Today there are approximately 85,000 chemicals regulated under the Toxic Substances Control Act, with around 2,000 new chemicals introduced each year. It is impossible to screen all of these chemicals for potential toxic effects either via full organism in vivo studies or in vitro high-throughput screening (HTS) programs. Toxicologists face the challenge of choosing which chemicals to screen, and predicting the toxicity of as-yet-unscreened chemicals. Our goal is to describe how variation in chemical structure relates to variation in toxicological response to enable in silico toxicity characte…
Background: Mendelian randomization (MR) is a useful approach to causal inference from observational studies when randomised controlled trials are not feasible. However, study heterogeneity of two association studies required in MR is often overlooked. When dealing with large studies, recently developed Bayesian MR is limited by its computational expensiveness. Methods: We addressed study heterogeneity by proposing a random effect Bayesian MR model with multiple exposures and outcomes. For large studies, we adopted a subset posterior aggregation method to tackle the problem of computation. In …
RNA interference (RNAi) is an endogenous cellular process in which small double-stranded RNAs lead to the destruction of mRNAs with complementary nucleoside sequence. With the production of RNAi libraries, large-scale RNAi screening in human cells can be conducted to identify unknown genes involved in a biological pathway. One challenge researchers face is how to deal with the multiple testing issue and the related false positive rate (FDR) and false negative rate (FNR). This paper proposes a Bayesian hierarchical measurement error model for the analysis of data from a two-channel RNAi high-th…
We explore the theoretical and numerical property of a fully Bayesian model selection method in sparse ultrahigh-dimensional settings, i.e., $p\gg n$, where $p$ is the number of covariates and $n$ is the sample size. Our method consists of (1) a hierarchical Bayesian model with a novel prior placed over the model space which includes a hyperparameter $t_n$ controlling the model size, and (2) an efficient MCMC algorithm for automatic and stochastic search of the models. Our theory shows that, when specifying $t_n$ correctly, the proposed method yields selection consistency, i.e., the posterior …
This article presents new methodology for sample-based Bayesian inference when data are partitioned and communication between the parts is expensive, as arises by necessity in the context of "big data" or by choice in order to take advantage of computational parallelism. The method, which we call the Laplace enriched multiple importance estimator, uses new multiple importance sampling techniques to approximate posterior expectations using samples drawn independently from the local posterior distributions (those conditioned on isolated parts of the data). We construct Laplace approximations fro…
The Brown-Resnick max-stable process has proven to be well-suited for modeling extremes of complex environmental processes, but in many applications its likelihood function is intractable and inference must be based on a composite likelihood, thereby preventing the use of classical Bayesian techniques. In this paper we exploit a case in which the full likelihood of a Brown-Resnick process can be calculated, using componentwise maxima and their partitions in terms of individual events, and we propose two new approaches to inference. The first estimates the partitions using declustering, while t…
We investigate the geometry of the maximal a posteriori (MAP) partition in the Bayesian Mixture Model where the component and the base distributions are chosen from conjugate exponential families. We prove that in this case the clusters are separated by the contour lines of a linear functional of the sufficient statistic. As a particular example, we describe Bayesian Mixture of Normals with Normal-inverse-Wishart prior on the component mean and covariance, in which the clusters in any MAP partition are separated by a quadratic surface. In connection with results of Rajkowski (2018), where the …
Accurate estimation of the change in crime over time is a critical first step towards better understanding of public safety in large urban environments. Bayesian hierarchical modeling is a natural way to study spatial variation in urban crime dynamics at the neighborhood level, since it facilitates principled ``sharing of information'' between spatially adjacent neighborhoods. Typically, however, cities contain many physical and social boundaries that may manifest as spatial discontinuities in crime patterns. In this situation, standard prior choices often yield overly-smooth parameter estimat…
We develop a Bayesian variable selection method, called SVEN, based on a hierarchical Gaussian linear model with priors placed on the regression coefficients as well as on the model space. Sparsity is achieved by using degenerate spike priors on inactive variables, whereas Gaussian slab priors are placed on the coefficients for the important predictors making the posterior probability of a model available in explicit form (up to a normalizing constant). The strong model selection consistency is shown to be attained when the number of predictors grows nearly exponentially with the sample size a…
Socrates-Mol: Self-Oriented Cognitive Reasoning through Autonomous Trial-and-Error with Empirical-Bayesian Screening for Molecules
State Key Laboratory of Heavy Oil Processing, China University of Petroleum (Beijing), Beijing 102249, China（石油加工国家重点实验室，中国石油大学（北京））；Shanghai AI Laboratory,L1 Building, International Media Port, No. 129 Longwen Road, Xuhui District, Shanghai（上海人工智能实验室）；College of Energy Innovation, China University of Petroleum (Beijing), Beijing 102249, China（能源创新学院，中国石油大学（北京））
Finding duplicates in homicide registries is an important step in keeping an accurate account of lethal violence. This task is not trivial when unique identifiers of the individuals are not available, and it is especially challenging when records are subject to errors and missing values. Traditional approaches to duplicate detection output independent decisions on the coreference status of each pair of records, which often leads to nontransitive decisions that have to be reconciled in some ad-hoc fashion. The task of finding duplicate records in a data file can be alternatively posed as partit…
Cluster analysis aims at partitioning data into groups or clusters. In applications, it is common to deal with problems where the number of clusters is unknown. Bayesian mixture models employed in such applications usually specify a flexible prior that takes into account the uncertainty with respect to the number of clusters. However, a major empirical challenge involving the use of these models is in the characterisation of the induced prior on the partitions. This work introduces an approach to compute descriptive statistics of the prior on the partitions for three selected Bayesian mixture …
In this paper we propose a novel Bayesian methodology for Value-at-Risk computation based on parametric Product Partition Models. Value-at-Risk is a standard tool to measure and control the market risk of an asset or a portfolio, and it is also required for regulatory purposes. Its popularity is partly due to the fact that it is an easily understood measure of risk. The use of Product Partition Models allows us to remain in a Normal setting even in presence of outlying points, and to obtain a closed-form expression for Value-at-Risk computation. We present and compare two different scenarios: …
This paper proposes a non-Gaussian Markov field with a special feature: an explicit partition function. To the best of our knowledge, this is an original contribution. Moreover, the explicit expression of the partition function enables the development of an unsupervised edge-preserving convex deconvolution method. The method is fully Bayesian, and produces an estimate in the sense of the posterior mean, numerically calculated by means of a Monte-Carlo Markov Chain technique. The approach is particularly effective and the computational practicability of the method is shown on a simple simulated…
In practice, optimal screening designs for arbitrary run sizes are traditionally generated using the D-criterion with factor settings fixed at +/- 1, even when considering continuous factors with levels in [-1, 1]. This paper identifies cases of undesirable estimation variance properties for such D-optimal designs and argues that generally A-optimal designs tend to push variances closer to their minimum possible value. New insights about the behavior of the criteria are found through a study of their respective coordinate-exchange formulas. The study confirms the existence of D-optimal designs…
In Bayesian semi-parametric analyses of time-to-event data, non-parametric process priors are adopted for the baseline hazard function or the cumulative baseline hazard function for a given finite partition of the time axis. However, it would be controversial to suggest a general guideline to construct an optimal time partition. While a great deal of research has been done to relax the assumption of the fixed split times for other non-parametric processes, to our knowledge, no methods have been developed for a gamma process prior, which is one of the most widely used in Bayesian survival analy…
The first investigation is made of designs for screening experiments where the response variable is approximated by a generalised linear model. A Bayesian information capacity criterion is defined for the selection of designs that are robust to the form of the linear predictor. For binomial data and logistic regression, the effectiveness of these designs for screening is assessed through simulation studies using all-subsets regression and model selection via maximum penalised likelihood and a generalised information criterion. For Poisson data and log-linear regression, similar assessments are…
Virtual screening aims to find desirable compounds from chemical library by using computational methods. For this purpose with machine learning, model outputs that can be interpreted as predictive probability will be beneficial, in that a high prediction score corresponds to high probability of correctness. In this work, we present a study on the prediction performance and reliability of graph neural networks trained with the recently proposed Bayesian learning algorithms. Our work shows that Bayesian learning algorithms allow well-calibrated predictions for various GNN architectures and class…
There has been much recent interest in screening populations for an infectious disease. Here, we present a stochastic-control model, wherein the optimum screening policy is provably difficult to find, but wherein Thompson sampling has provably optimal performance guarantees in the form of Bayesian regret. Thompson sampling seems applicable especially to diseases, for which we do not understand the dynamics well, such as to the super-spreading COVID-19.
Bayesian model-based clustering is a widely applied procedure for discovering groups of related observations in a dataset. These approaches use Bayesian mixture models, estimated with MCMC, which provide posterior samples of the model parameters and clustering partition. While inference on model parameters is well established, inference on the clustering partition is less developed. A new method is developed for estimating the optimal partition from the pairwise posterior similarity matrix generated by a Bayesian cluster model. This approach uses non-negative matrix factorization (NMF) to prov…
Survival models are used to analyze time-to-event data in a variety of disciplines. Proportional hazard models provide interpretable parameter estimates, but proportional hazards assumptions are not always appropriate. Non-parametric models are more flexible but often lack a clear inferential framework. We propose a Bayesian tree partition model which is both flexible and inferential. Inference is obtained through the posterior tree structure and flexibility is preserved by modeling the the hazard function in each partition using a latent exponentiated Gaussian process. An efficient reversible…
We present a Bayesian data fusion method to approximate a posterior distribution from an ensemble of particle estimates that only have access to subsets of the data. Our approach relies on approximate probabilistic inference of model parameters through Monte Carlo methods, followed by an update and resample scheme related to multiple importance sampling to combine information from the initial estimates. We show the method is convergent in the particle limit and directly suited to application on multi-sensor data fusion problems by demonstrating efficacy on a multi-sensor Keplerian orbit determ…
The exponential growth of scientific production makes secondary literature abridgements increasingly demanding. We introduce a new open-source framework for systematic reviews that significantly reduces time and workload for collecting and screening scientific literature. The framework provides three main tools: 1) an automatic citation search engine and manager that collects records from multiple online sources with a unified query syntax, 2) a Bayesian, active machine learning, citation screening tool based on iterative human-machine interaction to increase predictive accuracy and, 3) a semi…
School of Mathematics and Statistics, University of New South Wales（新南威尔士大学数学与统计学院）；School of Computer Science, Fudan University（复旦大学计算机科学技术学院）；School of Computing and Information Systems, University of Melbourne（墨尔本大学计算与信息系统学院）
Bayesian nonparametric space partition (BNSP) models provide a variety of strategies for partitioning a $D$-dimensional space into a set of blocks. In this way, the data points lie in the same block would share certain kinds of homogeneity. BNSP models can be applied to various areas, such as regression/classification trees, random feature construction, relational modeling, etc. In this survey, we investigate the current progress of BNSP research through the following three perspectives: models, which review various strategies for generating the partitions in the space and discuss their theore…
In this paper, we focus on identifying differentially activated brain regions using a light sheet fluorescence microscopy - a recently developed technique for whole-brain imaging. Most existing statistical methods solve this problem by partitioning the brain regions into two classes: significantly and non-significantly activated. However, for the brain imaging problem at the center of our study, such binary grouping may provide overly simplistic discoveries by filtering out weak but important signals, that are typically adulterated by the noise present in the data. To overcome this limitation,…
We develop a novel hybrid method for Bayesian network structure learning called partitioned hybrid greedy search (pHGS), composed of three distinct yet compatible new algorithms: Partitioned PC (pPC) accelerates skeleton learning via a divide-and-conquer strategy, $p$-value adjacency thresholding (PATH) effectively accomplishes parameter tuning with a single execution, and hybrid greedy initialization (HGI) maximally utilizes constraint-based information to obtain a high-scoring and well-performing initial graph for greedy search. We establish structure learning consistency of our algorithms i…
The multi-scale factor models are particularly appealing for analyzing matrix- or tensor-valued data, due to their adaptiveness to local geometry and intuitive interpretation. However, the reliance on the binary tree for recursive partitioning creates high complexity in the parameter space, making it extremely challenging to quantify its uncertainty. In this article, we discover an alternative way to generate multi-scale matrix using simple matrix operation: starting from a random matrix with each column having two unique values, its Cholesky whitening transform obeys a recursive partitioning …
Motivated by a computer experiment for the design of a rocket booster, this paper explores nonstationary modeling methodologies that couple stationary Gaussian processes with treed partitioning. Partitioning is a simple but effective method for dealing with nonstationarity. The methodological developments and statistical computing details which make this approach efficient are described in detail. In addition to providing an analysis of the rocket booster simulator, our approach is demonstrated to be effective in other arenas.
A common divide-and-conquer approach for Bayesian computation with big data is to partition the data, perform local inference for each piece separately, and combine the results to obtain a global posterior approximation. While being conceptually and computationally appealing, this method involves the problematic need to also split the prior for the local inferences; these weakened priors may not provide enough regularization for each separate computation, thus eliminating one of the key advantages of Bayesian methods. To resolve this dilemma while still retaining the generalizability of the un…
