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Feature selection can greatly improve performance and interpretability in machine learning problems. However, existing nonparametric feature selection methods either lack theoretical error control or fail to accurately control errors in practice. Many methods are also slow, especially in high dimensions. In this paper, we introduce a general feature selection method that applies integrated path stability selection to thresholding to control false positives and the false discovery rate. The method also estimates q-values, which are better suited to high-dimensional data than p-values. We focus on two special cases of the general method based on gradient boosting (IPSSGB) and random forests (IPSSRF). Extensive simulations with RNA sequencing data show that IPSSGB and IPSSRF have better error control, detect more true positives, and are faster than existing methods. We also use both methods to detect microRNAs and genes related to ovarian cancer, finding that they make better predictions with fewer features than other methods.

This article focuses on inference in logistic regression for high-dimensional binary outcomes. A popular approach induces dependence across the outcomes by including latent factors in the linear predictor. Bayesian approaches are useful for characterizing uncertainty in inferring the regression coefficients, factors and loadings, while also incorporating hierarchical and shrinkage structure. However, Markov chain Monte Carlo algorithms for posterior computation face challenges in scaling to high-dimensional outcomes. Motivated by applications in ecology, we exploit a blessing of dimensionality to motivate pre-estimation of the latent factors. Conditionally on the factors, the outcomes are modeled via independent logistic regressions. We implement Gaussian approximations in parallel in inferring the posterior on the regression coefficients and loadings, including a simple adjustment to obtain credible intervals with valid frequentist coverage. We show posterior concentration properties and excellent empirical performance in simulations. The methods are applied to insect biodiversity data in Madagascar.

We study how the posterior contraction rate under a Gaussian process (GP) prior depends on the intrinsic dimension of the predictors and smoothness of the regression function. An open question is whether a generic GP prior that does not incorporate knowledge of the intrinsic lower-dimensional structure of the predictors can attain an adaptive rate for a broad class of such structures. We show that this is indeed the case, establishing conditions under which the posterior contraction rates become adaptive to the intrinsic dimension $\varrho$ in terms of the covering number of the data domain $X$ (the Minkowski dimension), and prove the optimal posterior contraction rate $O(n^{-s/(2s +\varrho)})$, up to a logarithmic factor, assuming an approximation order $s$ of the reproducing kernel Hilbert space (RKHS) on ${X}$. When ${X}$ is a $\varrho$-dimensional compact smooth manifold, we study RKHS approximations to intrinsically defined $s$-order H\"older functions on the manifold for any positive $s$ by a novel analysis of kernel approximations on manifolds, leading to the optimal adaptive posterior contraction rate. We propose an empirical Bayes prior on the kernel bandwidth using kernel affinity and $k$-nearest neighbor statistics, eliminating the need for prior knowledge of the intrinsic dimension. The efficiency of the proposed Bayesian regression approach is demonstrated on various numerical experiments.

Ecological and conservation studies monitoring bird communities typically rely on species classification based on bird vocalizations. Historically, this has been based on expert volunteers going into the field and making lists of the bird species that they observe. Recently, machine learning algorithms have emerged that can accurately classify bird species based on audio recordings of their vocalizations. Such algorithms crucially rely on training data that are labeled by experts. Automated classification is challenging when multiple species are vocalizing simultaneously, there is background noise, and/or the bird is far from the microphone. In continuously monitoring different locations, the size of the audio data become immense and it is only possible for human experts to label a tiny proportion of the available data. In addition, experts can vary in their accuracy and breadth of knowledge about different species. This article focuses on the important problem of combining sparse expert annotations to improve bird species classification while providing uncertainty quantification. We additionally are interested in providing expert performance scores to increase their engagement and encourage improvements. We propose a Bayesian hierarchical modeling approach and evaluate this approach on a new community science platform developed in Finland.

It is increasingly common in a wide variety of applied settings to collect data of multiple different types on the same set of samples. Our particular focus in this article is on studying relationships between such multiview features and responses. A motivating application arises in the context of precision medicine where multi-omics data are collected to correlate with clinical outcomes. It is of interest to infer dependence within and across views while combining multimodal information to improve the prediction of outcomes. The signal-to-noise ratio can vary substantially across views, motivating more nuanced statistical tools beyond standard late and early fusion. This challenge comes with the need to preserve interpretability, select features, and obtain accurate uncertainty quantification. We propose a joint additive factor regression model (JAFAR) with a structured additive design, accounting for shared and view-specific components. We ensure identifiability via a novel dependent cumulative shrinkage process (D-CUSP) prior. We provide an efficient implementation via a partially collapsed Gibbs sampler and extend our approach to allow flexible feature and outcome distributions. Prediction of time-to-labor onset from immunome, metabolome, and proteome data illustrates performance gains against state-of-the-art competitors. Our open-source software (R package) is available at https://github.com/niccoloanceschi/jafar.

Our interest is in replicated network data with multiple networks observed across the same set of nodes. Examples include brain connection networks, in which nodes corresponds to brain regions and replicates to different individuals, and ecological networks, in which nodes correspond to species and replicates to samples collected at different locations and/or times. Our goal is to infer a hierarchical structure of the nodes at a population level, while performing multi-resolution clustering of the individual replicates. In brain connectomics, the focus is on inferring common relationships among the brain regions, while characterizing inter-individual variability in an easily interpretable manner. To accomplish this, we propose a Bayesian hierarchical model, while providing theoretical support in terms of identifiability and posterior consistency, and design efficient methods for posterior computation. We provide novel technical tools for proving model identifiability, which are of independent interest. Our simulations and application to brain connectome data provide support for the proposed methodology.

Tree graphs are routinely used in statistics. When estimating a Bayesian model with a tree component, sampling the posterior remains a core difficulty. Existing Markov chain Monte Carlo methods tend to rely on local moves, often leading to poor mixing. A promising approach is to instead directly sample spanning trees on an auxiliary graph. Current spanning tree samplers, such as the celebrated Aldous--Broder algorithm, predominantly rely on simulating random walks that are required to visit all the nodes of the graph. Such algorithms are prone to getting stuck in certain sub-graphs. We formalize this phenomenon using the bottlenecks in the random walk's transition probability matrix. We then propose a novel fast-forwarded cover algorithm that can break free from bottlenecks. The core idea is a marginalization argument that leads to a closed-form expression which allows for fast-forwarding to the event of visiting a new node. Unlike many existing approximation algorithms, our algorithm yields exact samples. We demonstrate the enhanced efficiency of the fast-forwarded cover algorithm, and illustrate its application in fitting a Bayesian dendrogram model on a Massachusetts crimes and communities dataset.

Sepsis is a life-threatening condition caused by a dysregulated host response to infection. Recently, researchers have hypothesized that sepsis consists of a heterogeneous spectrum of distinct subtypes, motivating several studies to identify clusters of sepsis patients that correspond to subtypes, with the long-term goal of using these clusters to design subtype-specific treatments. Therefore, clinicians rely on clusters having a concrete medical interpretation, usually corresponding to clinically meaningful regions of the sample space that have a concrete implication to practitioners. In this article, we propose Clustering Around Meaningful Regions (CLAMR), a Bayesian clustering approach that explicitly models the medical interpretation of each cluster center. CLAMR favors clusterings that can be summarized via meaningful feature values, leading to medically significant sepsis patient clusters. We also provide details on measuring the effect of each feature on the clustering using Bayesian hypothesis tests, so one can assess what features are relevant for cluster interpretation. Our focus is on clustering sepsis patients from Moshi, Tanzania, where patients are younger and the prevalence of HIV infection is higher than in previous sepsis subtyping cohorts.

Bayesian factor analysis is routinely used for dimensionality reduction in modeling of high-dimensional covariance matrices. Factor analytic decompositions express the covariance as a sum of a low rank and diagonal matrix. In practice, Gibbs sampling algorithms are typically used for posterior computation, alternating between updating the latent factors, loadings, and residual variances. In this article, we exploit a blessing of dimensionality to develop a provably accurate pseudo-posterior for the covariance matrix that bypasses the need for Gibbs or other variants of Markov chain Monte Carlo sampling. Our proposed Factor Analysis with BLEssing of dimensionality (FABLE) approach relies on a first-stage singular value decomposition (SVD) to estimate the latent factors, and then defines a jointly conjugate prior for the loadings and residual variances. The accuracy of the resulting pseudo-posterior for the covariance improves with increasing dimensionality. We show that FABLE has excellent performance in high-dimensional covariance matrix estimation, including producing well calibrated credible intervals, both theoretically and through simulation experiments. We also demonstrate the strength of our approach in terms of accurate inference and computational efficiency by applying it to a gene expression data set.

Broadly, the goal when clustering data is to separate observations into meaningful subgroups. The rich variety of methods for clustering reflects the fact that the relevant notion of meaningful clusters varies across applications. The classical Bayesian approach clusters observations by their association with components of a mixture model; the choice in class of components allows flexibility to capture a range of meaningful cluster notions. However, in practice the range is somewhat limited as difficulties with computation and cluster identifiability arise as components are made more flexible. Instead of mixture component attribution, we consider clusterings that are functions of the data and the density $f$, which allows us to separate flexible density estimation from clustering. Within this framework, we develop a method to cluster data into connected components of a level set of $f$. Under mild conditions, we establish that our Bayesian level-set (BALLET) clustering methodology yields consistent estimates, and we highlight its performance in a variety of toy and simulated data examples. Finally, through an application to astronomical data we show the method performs favorably relative to the popular level-set clustering algorithm DBSCAN in terms of accuracy, insensitivity to tuning parameters, and quantification of uncertainty., Comment: 36 pages, 6 figures

Joint species distribution models are popular in ecology for modeling covariate effects on species occurrence, while characterizing cross-species dependence. Data consist of multivariate binary indicators of the occurrences of different species in each sample, along with sample-specific covariates. A key problem is that current models implicitly assume that the list of species under consideration is predefined and finite, while for highly diverse groups of organisms, it is impossible to anticipate which species will be observed in a study and discovery of unknown species is common. This article proposes a new modeling paradigm for statistical ecology, which generalizes traditional multivariate probit models to accommodate large numbers of rare species and new species discovery. We discuss theoretical properties of the proposed modeling paradigm and implement efficient algorithms for posterior computation. Simulation studies and applications to fungal biodiversity data provide compelling support for the new modeling class.

The beta distribution serves as a canonical tool for modelling probabilities in statistics and machine learning. However, there is limited work on flexible and computationally convenient stochastic process extensions for modelling dependent random probabilities. We propose a novel stochastic process called the logistic-beta process, whose logistic transformation yields a stochastic process with common beta marginals. Logistic-beta processes can model dependence on both discrete and continuous domains, such as space or time, and have a flexible dependence structure through correlation kernels. Moreover, its normal variance-mean mixture representation leads to effective posterior inference algorithms. We illustrate the benefits through nonparametric binary regression and conditional density estimation examples, both in simulation studies and in a pregnancy outcome application.

In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential., Comment: Proceedings of the 41st International Conference on Machine Learning, Vienna, Austria. PMLR 235, 2024

Transfer learning is a burgeoning concept in statistical machine learning that seeks to improve inference and/or predictive accuracy on a domain of interest by leveraging data from related domains. While the term "transfer learning" has garnered much recent interest, its foundational principles have existed for years under various guises. Prior literature reviews in computer science and electrical engineering have sought to bring these ideas into focus, primarily surveying general methodologies and works from these disciplines. This article highlights Bayesian approaches to transfer learning, which have received relatively limited attention despite their innate compatibility with the notion of drawing upon prior knowledge to guide new learning tasks. Our survey encompasses a wide range of Bayesian transfer learning frameworks applicable to a variety of practical settings. We discuss how these methods address the problem of finding the optimal information to transfer between domains, which is a central question in transfer learning. We illustrate the utility of Bayesian transfer learning methods via a simulation study where we compare performance against frequentist competitors.

While there is an immense literature on Bayesian methods for clustering, the multiview case has received little attention. This problem focuses on obtaining distinct but statistically dependent clusterings in a common set of entities for different data types. For example, clustering patients into subgroups with subgroup membership varying according to the domain of the patient variables. A challenge is how to model the across-view dependence between the partitions of patients into subgroups. The complexities of the partition space make standard methods to model dependence, such as correlation, infeasible. In this article, we propose CLustering with Independence Centering (CLIC), a clustering prior that uses a single parameter to explicitly model dependence between clusterings across views. CLIC is induced by the product centered Dirichlet process (PCDP), a novel hierarchical prior that bridges between independent and equivalent partitions. We show appealing theoretic properties, provide a finite approximation and prove its accuracy, present a marginal Gibbs sampler for posterior computation, and derive closed form expressions for the marginal and joint partition distributions for the CLIC model. On synthetic data and in an application to epidemiology, CLIC accurately characterizes view-specific partitions while providing inference on the dependence level.

Developmental epidemiology commonly focuses on assessing the association between multiple early life exposures and childhood health. Statistical analyses of data from such studies focus on inferring the contributions of individual exposures, while also characterizing time-varying and interacting effects. Such inferences are made more challenging by correlations among exposures, nonlinearity, and the curse of dimensionality. Motivated by studying the effects of prenatal bisphenol A (BPA) and phthalate exposures on glucose metabolism in adolescence using data from the ELEMENT study, we propose a low-rank longitudinal factor regression (LowFR) model for tractable inference on flexible longitudinal exposure effects. LowFR handles highly-correlated exposures using a Bayesian dynamic factor model, which is fit jointly with a health outcome via a novel factor regression approach. The model collapses on simpler and intuitive submodels when appropriate, while expanding to allow considerable flexibility in time-varying and interaction effects when supported by the data. After demonstrating LowFR's effectiveness in simulations, we use it to analyze the ELEMENT data and find that diethyl and dibutyl phthalate metabolite levels in trimesters 1 and 2 are associated with altered glucose metabolism in adolescence.

Factor models have been widely used to summarize the variability of high-dimensional data through a set of factors with much lower dimensionality. Gaussian linear factor models have been particularly popular due to their interpretability and ease of computation. However, in practice, data often violate the multivariate Gaussian assumption. To characterize higher-order dependence and nonlinearity, models that include factors as predictors in flexible multivariate regression are popular, with GP-LVMs using Gaussian process (GP) priors for the regression function and VAEs using deep neural networks. Unfortunately, such approaches lack identifiability and interpretability and tend to produce brittle and non-reproducible results. To address these problems by simplifying the nonparametric factor model while maintaining flexibility, we propose the NIFTY framework, which parsimoniously transforms uniform latent variables using one-dimensional nonlinear mappings and then applies a linear generative model. The induced multivariate distribution falls into a flexible class while maintaining simple computation and interpretation. We prove that this model is identifiable and empirically study NIFTY using simulated data, observing good performance in density estimation and data visualization. We then apply NIFTY to bird song data in an environmental monitoring application., Comment: 50 pages, 17 figures

Generalized linear models (GLMs) are routinely used for modeling relationships between a response variable and a set of covariates. The simple form of a GLM comes with easy interpretability, but also leads to concerns about model misspecification impacting inferential conclusions. A popular semi-parametric solution adopted in the frequentist literature is quasi-likelihood, which improves robustness by only requiring correct specification of the first two moments. We develop a robust approach to Bayesian inference in GLMs through quasi-posterior distributions. We show that quasi-posteriors provide a coherent generalized Bayes inference method, while also approximating so-called coarsened posteriors. In so doing, we obtain new insights into the choice of coarsening parameter. Asymptotically, the quasi-posterior converges in total variation to a normal distribution and has important connections with the loss-likelihood bootstrap posterior. We demonstrate that it is also well-calibrated in terms of frequentist coverage. Moreover, the loss-scale parameter has a clear interpretation as a dispersion, and this leads to a consolidated method of moments estimator.

Gibbs posteriors are proportional to a prior distribution multiplied by an exponentiated loss function, with a key tuning parameter weighting information in the loss relative to the prior and providing a control of posterior uncertainty. Gibbs posteriors provide a principled framework for likelihood-free Bayesian inference, but in many situations, including a single tuning parameter inevitably leads to poor uncertainty quantification. In particular, regardless of the value of the parameter, credible regions have far from the nominal frequentist coverage even in large samples. We propose a sequential extension to Gibbs posteriors to address this problem. We prove the proposed sequential posterior exhibits concentration and a Bernstein-von Mises theorem, which holds under easy to verify conditions in Euclidean space and on manifolds. As a byproduct, we obtain the first Bernstein-von Mises theorem for traditional likelihood-based Bayesian posteriors on manifolds. All methods are illustrated with an application to principal component analysis.

In a variety of application areas, there is interest in assessing evidence of differences in the intensity of event realizations between groups. For example, in cancer genomic studies collecting data on rare variants, the focus is on assessing whether and how the variant profile changes with the disease subtype. Motivated by this application, we develop multiresolution nonparametric Bayes tests for differential mutation rates across groups. The multiresolution approach yields fast and accurate detection of spatial clusters of rare variants, and our nonparametric Bayes framework provides great flexibility for modeling the intensities of rare variants. Some theoretical properties are also assessed, including weak consistency of our Dirichlet Process-Poisson-Gamma mixture over multiple resolutions. Simulation studies illustrate excellent small sample properties relative to competitors, and we apply the method to detect rare variants related to common variable immunodeficiency from whole exome sequencing data on 215 patients and over 60,027 control subjects.

Dirichlet process mixtures are particularly sensitive to the value of the precision parameter controlling the behavior of the latent partition. Randomization of the precision through a prior distribution is a common solution, which leads to more robust inferential procedures. However, existing prior choices do not allow for transparent elicitation, due to the lack of analytical results. We introduce and investigate a novel prior for the Dirichlet process precision, the Stirling-gamma distribution. We study the distributional properties of the induced random partition, with an emphasis on the number of clusters. Our theoretical investigation clarifies the reasons of the improved robustness properties of the proposed prior. Moreover, we show that, under specific choices of its hyperparameters, the Stirling-gamma distribution is conjugate to the random partition of a Dirichlet process. We illustrate with an ecological application the usefulness of our approach for the detection of communities of ant workers.

Factor analysis provides a canonical framework for imposing lower-dimensional structure such as sparse covariance in high-dimensional data. High-dimensional data on the same set of variables are often collected under different conditions, for instance in reproducing studies across research groups. In such cases, it is natural to seek to learn the shared versus condition-specific structure. Existing hierarchical extensions of factor analysis have been proposed, but face practical issues including identifiability problems. To address these shortcomings, we propose a class of SUbspace Factor Analysis (SUFA) models, which characterize variation across groups at the level of a lower-dimensional subspace. We prove that the proposed class of SUFA models lead to identifiability of the shared versus group-specific components of the covariance, and study their posterior contraction properties. Taking a Bayesian approach, these contributions are developed alongside efficient posterior computation algorithms. Our sampler fully integrates out latent variables, is easily parallelizable and has complexity that does not depend on sample size. We illustrate the methods through application to integration of multiple gene expression datasets relevant to immunology.

Bayesian models are a powerful tool for studying complex data, allowing the analyst to encode rich hierarchical dependencies and leverage prior information. Most importantly, they facilitate a complete characterization of uncertainty through the posterior distribution. Practical posterior computation is commonly performed via MCMC, which can be computationally infeasible for high dimensional models with many observations. In this article we discuss the potential to improve posterior computation using ideas from machine learning. Concrete future directions are explored in vignettes on normalizing flows, Bayesian coresets, distributed Bayesian inference, and variational inference.

We introduce Cayley transform ellipsoid fitting (CTEF), an algorithm that uses the Cayley transform to fit ellipsoids to noisy data in any dimension. Unlike many ellipsoid fitting methods, CTEF is ellipsoid specific, meaning it always returns elliptic solutions, and can fit arbitrary ellipsoids. It also significantly outperforms other fitting methods when data are not uniformly distributed over the surface of an ellipsoid. Inspired by growing calls for interpretable and reproducible methods in machine learning, we apply CTEF to dimension reduction, data visualization, and clustering in the context of cell cycle and circadian rhythm data and several classical toy examples. Since CTEF captures global curvature, it extracts nonlinear features in data that other machine learning methods fail to identify. For example, on the clustering examples CTEF outperforms 10 popular algorithms.

We introduce Fiedler regularization, a novel approach for regularizing neural networks that utilizes spectral/graphical information. Existing regularization methods often focus on penalizing weights in a global/uniform manner that ignores the connectivity structure of the neural network. We propose to use the Fiedler value of the neural network's underlying graph as a tool for regularization. We provide theoretical motivation for this approach via spectral graph theory. We demonstrate several useful properties of the Fiedler value that make it useful as a regularization tool. We provide an approximate, variational approach for faster computation during training. We provide an alternative formulation of this framework in the form of a structurally weighted $\text{L}_1$ penalty, thus linking our approach to sparsity induction. We provide uniform generalization error bounds for Fiedler regularization via a Rademacher complexity analysis. We performed experiments on datasets that compare Fiedler regularization with classical regularization methods such as dropout and weight decay. Results demonstrate the efficacy of Fiedler regularization. This is a journal extension of the conference paper by Tam and Dunson (2020)., Comment: This is a journal extension of the ICML conference paper by Tam and Dunson (2020), arXiv:2003.00992

Bayesian clustering typically relies on mixture models, with each component interpreted as a different cluster. After defining a prior for the component parameters and weights, Markov chain Monte Carlo (MCMC) algorithms are commonly used to produce samples from the posterior distribution of the component labels. The data are then clustered by minimizing the expectation of a clustering loss function that favours similarity to the component labels. Unfortunately, although these approaches are routinely implemented, clustering results are highly sensitive to kernel misspecification. For example, if Gaussian kernels are used but the true density of data within a cluster is even slightly non-Gaussian, then clusters will be broken into multiple Gaussian components. To address this problem, we develop Fusing of Localized Densities (FOLD), a novel clustering method that melds components together using the posterior of the kernels. FOLD has a fully Bayesian decision theoretic justification, naturally leads to uncertainty quantification, can be easily implemented as an add-on to MCMC algorithms for mixtures, and favours a small number of distinct clusters. We provide theoretical support for FOLD including clustering optimality under kernel misspecification. In simulated experiments and real data, FOLD outperforms competitors by minimizing the number of clusters while inferring meaningful group structure.

Likelihood-based inferences have been remarkably successful in wide-spanning application areas. However, even after due diligence in selecting a good model for the data at hand, there is inevitably some amount of model misspecification: outliers, data contamination or inappropriate parametric assumptions such as Gaussianity mean that most models are at best rough approximations of reality. A significant practical concern is that for certain inferences, even small amounts of model misspecification may have a substantial impact; a problem we refer to as brittleness. This article attempts to address the brittleness problem in likelihood-based inferences by choosing the most model friendly data generating process in a distance-based neighborhood of the empirical measure. This leads to a new Optimistically Weighted Likelihood (OWL), which robustifies the original likelihood by formally accounting for a small amount of model misspecification. Focusing on total variation (TV) neighborhoods, we study theoretical properties, develop estimation algorithms and illustrate the methodology in applications to mixture models and regression., Comment: Python code available at https://github.com/cjtosh/owl

In many areas of science and engineering, computer simulations are widely used as proxies for physical experiments, which can be infeasible or unethical. Such simulations can often be computationally expensive, and an emulator can be trained to efficiently predict the desired response surface. A widely-used emulator is the Gaussian process (GP), which provides a flexible framework for efficient prediction and uncertainty quantification. Standard GPs, however, do not capture structured sparsity on the underlying response surface, which is present in many applications, particularly in the physical sciences. We thus propose a new hierarchical shrinkage GP (HierGP), which incorporates such structure via cumulative shrinkage priors within a GP framework. We show that the HierGP implicitly embeds the well-known principles of effect sparsity, heredity and hierarchy for analysis of experiments, which allows our model to identify structured sparse features from the response surface with limited data. We propose efficient posterior sampling algorithms for model training and prediction, and prove desirable consistency properties for the HierGP. Finally, we demonstrate the improved performance of HierGP over existing models, in a suite of numerical experiments and an application to dynamical system recovery.

Mapping of human brain structural connectomes via diffusion MRI offers a unique opportunity to understand brain structural connectivity and relate it to various human traits, such as cognition. However, head displacement during image acquisition can compromise the accuracy of connectome reconstructions and subsequent inference results. We develop a generative model to learn low-dimensional representations of structural connectomes invariant to motion-induced artifacts, so that we can link brain networks and human traits more accurately, and generate motion-adjusted connectomes. We apply the proposed model to data from the Adolescent Brain Cognitive Development (ABCD) study and the Human Connectome Project (HCP) to investigate how our motion-invariant connectomes facilitate understanding of the brain network and its relationship with cognition. Empirical results demonstrate that the proposed motion-invariant variational auto-encoder (inv-VAE) outperforms its competitors in various aspects. In particular, motion-adjusted structural connectomes are more strongly associated with a wide array of cognition-related traits than other approaches without motion adjustment.

In geostatistical problems with massive sample size, Gaussian processes can be approximated using sparse directed acyclic graphs to achieve scalable $O(n)$ computational complexity. In these models, data at each location are typically assumed conditionally dependent on a small set of parents which usually include a subset of the nearest neighbors. These methodologies often exhibit excellent empirical performance, but the lack of theoretical validation leads to unclear guidance in specifying the underlying graphical model and sensitivity to graph choice. We address these issues by introducing radial neighbors Gaussian processes (RadGP), a class of Gaussian processes based on directed acyclic graphs in which directed edges connect every location to all of its neighbors within a predetermined radius. We prove that any radial neighbors Gaussian process can accurately approximate the corresponding unrestricted Gaussian process in Wasserstein-2 distance, with an error rate determined by the approximation radius, the spatial covariance function, and the spatial dispersion of samples. We offer further empirical validation of our approach via applications on simulated and real world data showing excellent performance in both prior and posterior approximations to the original Gaussian process.

Throughout the course of an epidemic, the rate at which disease spreads varies with behavioral changes, the emergence of new disease variants, and the introduction of mitigation policies. Estimating such changes in transmission rates can help us better model and predict the dynamics of an epidemic, and provide insight into the efficacy of control and intervention strategies. We present a method for likelihood-based estimation of parameters in the stochastic SIR model under a time-inhomogeneous transmission rate comprised of piecewise constant components. In doing so, our method simultaneously learns change points in the transmission rate via a Markov chain Monte Carlo algorithm. The method targets the exact model posterior in a difficult missing data setting given only partially observed case counts over time. We validate performance on simulated data before applying our approach to data from an Ebola outbreak in Western Africa and COVID-19 outbreak on a university campus.

The brain structural connectome is generated by a collection of white matter fiber bundles constructed from diffusion weighted MRI (dMRI), acting as highways for neural activity. There has been abundant interest in studying how the structural connectome varies across individuals in relation to their traits, ranging from age and gender to neuropsychiatric outcomes. After applying tractography to dMRI to get white matter fiber bundles, a key question is how to represent the brain connectome to facilitate statistical analyses relating connectomes to traits. The current standard divides the brain into regions of interest (ROIs), and then relies on an adjacency matrix (AM) representation. Each cell in the AM is a measure of connectivity, e.g., number of fiber curves, between a pair of ROIs. Although the AM representation is intuitive, a disadvantage is the high-dimensionality due to the large number of cells in the matrix. This article proposes a simpler tree representation of the brain connectome, which is motivated by ideas in computational topology and takes topological and biological information on the cortical surface into consideration. We demonstrate that our tree representation preserves useful information and interpretability, while reducing dimensionality to improve statistical and computational efficiency. Applications to data from the Human Connectome Project (HCP) are considered and code is provided for reproducing our analyses.

There is abundant interest in assessing the joint effects of multiple exposures on human health. This is often referred to as the mixtures problem in environmental epidemiology and toxicology. Classically, studies have examined the adverse health effects of different chemicals one at a time, but there is concern that certain chemicals may act together to amplify each other's effects. Such amplification is referred to as synergistic interaction, while chemicals that inhibit each other's effects have antagonistic interactions. Current approaches for assessing the health effects of chemical mixtures do not explicitly consider synergy or antagonism in the modeling, instead focusing on either parametric or unconstrained nonparametric dose response surface modeling. The parametric case can be too inflexible, while nonparametric methods face a curse of dimensionality that leads to overly wiggly and uninterpretable surface estimates. We propose a Bayesian approach that decomposes the response surface into additive main effects and pairwise interaction effects, and then detects synergistic and antagonistic interactions. Variable selection decisions for each interaction component are also provided. This Synergistic Antagonistic Interaction Detection (SAID) framework is evaluated relative to existing approaches using simulation experiments and an application to data from NHANES.

One of the central problems in neuroscience is understanding how brain structure relates to function. Naively one can relate the direct connections of white matter fiber tracts between brain regions of interest (ROIs) to the increased co-activation in the same pair of ROIs, but the link between structural and functional connectomes (SCs and FCs) has proven to be much more complex. To learn a realistic generative model characterizing population variation in SCs, FCs, and the SC-FC coupling, we develop a graph auto-encoder that we refer to as Staf-GATE. We trained Staf-GATE with data from the Human Connectome Project (HCP) and show state-of-the-art performance in predicting FC and joint generation of SC and FC. In addition, as a crucial component of the proposed approach, we provide a masking-based algorithm to extract interpretable inferences about SC-FC coupling. Our interpretation methods identified important SC subnetworks for FC coupling and relating SC and FC with sex.

In this paper we predict sea surface salinity (SSS) in the Arctic Ocean based on satellite measurements. SSS is a crucial indicator for ongoing changes in the Arctic Ocean and can offer important insights about climate change. We particularly focus on areas of water mistakenly flagged as ice by satellite algorithms. To remove bias in the retrieval of salinity near sea ice, the algorithms use conservative ice masks, which result in considerable loss of data. We aim to produce realistic SSS values for such regions to obtain more complete understanding about the SSS surface over the Arctic Ocean and benefit future applications that may require SSS measurements near edges of sea ice or coasts. We propose a class of scalable nonstationary processes that can handle large data from satellite products and complex geometries of the Arctic Ocean. Barrier overlap-removal acyclic directed graph GP (BORA-GP) constructs sparse directed acyclic graphs (DAGs) with neighbors conforming to barriers and boundaries, enabling characterization of dependence in constrained domains. The BORA-GP models produce more sensible SSS values in regions without satellite measurements and show improved performance in various constrained domains in simulation studies compared to state-of-the-art alternatives. An R package is available at https://github.com/jinbora0720/boraGP.

Functional factor analysis is an important dimension reduction method for functional and longitudinal data. Factor loadings give insight into patterns of variability of the observations, while latent factors provide a low-dimensional representation of the data that is useful for inferential tasks. Constraining the functional factor loadings to be mutually orthogonal is desirable for model parsimony, but is computationally challenging. In this work, we introduce nearly mutually orthogonal processes, which can be used to effectively enforce mutual orthogonality of the factor loadings, while maintaining computational simplicity and efficiency. The joint distribution is governed by a penalty parameter that determines the degree to which the processes are mutually orthogonal and is related to ease of posterior computation. We demonstrate that our approach can be used for flexible and interpretable inference in an application to studying the effects of breastfeeding status, illness, and demographic factors on weight dynamics in early childhood. Code is available on GitHub: https://github.com/jamesmatuk/NeMO-FFA

It has become routine in neuroscience studies to measure brain networks for different individuals using neuroimaging. These networks are typically expressed as adjacency matrices, with each cell containing a summary of connectivity between a pair of brain regions. There is an emerging statistical literature describing methods for the analysis of such multi-network data in which nodes are common across networks but the edges vary. However, there has been essentially no consideration of the important problem of outlier detection. In particular, for certain subjects, the neuroimaging data are so poor quality that the network cannot be reliably reconstructed. For such subjects, the resulting adjacency matrix may be mostly zero or exhibit a bizarre pattern not consistent with a functioning brain. These outlying networks may serve as influential points, contaminating subsequent statistical analyses. We propose a simple Outlier DetectIon for Networks (ODIN) method relying on an influence measure under a hierarchical generalized linear model for the adjacency matrices. An efficient computational algorithm is described, and ODIN is illustrated through simulations and an application to data from the UK Biobank. ODIN was successful in identifying moderate to extreme outliers. Removing such outliers can significantly change inferences in downstream applications., Comment: - 13 page main document, - 5 page supplement - Our method has been implemented in both Python and R and is publicly available at https://www.github.com/pritamdey/ODIN-python and https://www.github.com/pritamdey/ODIN-r - Submitted to Bioinformatics

Laplacian eigenvectors capture natural community structures on graphs and are widely used in spectral clustering and manifold learning. The use of Laplacian eigenvectors as embeddings for the purpose of multiscale graph comparison has however been limited. Here we propose the Embedded Laplacian Discrepancy (ELD) as a simple and fast approach to compare graphs (of potentially different sizes) based on the similarity of the graphs' community structures. The ELD operates by representing graphs as point clouds in a common, low-dimensional space, on which a natural Wasserstein-based distance can be efficiently computed. A main challenge in comparing graphs through any eigenvector-based approaches is the potential ambiguity that could arise due to sign-flips and basis symmetries. The ELD leverages a simple symmetrization trick to bypass any sign ambiguities. For comparing graphs that do not have any ambiguities due to basis symmetries (i.e. the spectrums are simple), we show that the ELD becomes a natural pseudo-metric that enjoys nice properties such as invariance under graph isomorphism. For comparing graphs with non-simple spectrums, we propose a procedure to approximate the ELD via a simple perturbation technique to resolve any ambiguity from basis symmetries. We show that such perturbations are stable using matrix perturbation theory under mild assumptions that are straightforward to verify in practice. We demonstrate the excellent applicability of the ELD approach on both simulated and real datasets.

Quantifying spatial and/or temporal associations in multivariate geolocated data of different types is achievable via spatial random effects in a Bayesian hierarchical model, but severe computational bottlenecks arise when spatial dependence is encoded as a latent Gaussian process (GP) in the increasingly common large scale data settings on which we focus. The scenario worsens in non-Gaussian models because the reduced analytical tractability leads to additional hurdles to computational efficiency. In this article, we introduce Bayesian models of spatially referenced data in which the likelihood or the latent process (or both) are not Gaussian. First, we exploit the advantages of spatial processes built via directed acyclic graphs, in which case the spatial nodes enter the Bayesian hierarchy and lead to posterior sampling via routine Markov chain Monte Carlo (MCMC) methods. Second, motivated by the possible inefficiencies of popular gradient-based sampling approaches in the multivariate contexts on which we focus, we introduce the simplified manifold preconditioner adaptation (SiMPA) algorithm which uses second order information about the target but avoids expensive matrix operations. We demostrate the performance and efficiency improvements of our methods relative to alternatives in extensive synthetic and real world remote sensing and community ecology applications with large scale data at up to hundreds of thousands of spatial locations and up to tens of outcomes. Software for the proposed methods is part of R package 'meshed', available on CRAN.

In ecology it has become common to apply DNA barcoding to biological samples leading to datasets containing a large number of nucleotide sequences. The focus is then on inferring the taxonomic placement of each of these sequences by leveraging on existing databases containing reference sequences having known taxa. This is highly challenging because i) sequencing is typically only available for a relatively small region of the genome due to cost considerations; ii) many of the sequences are from organisms that are either unknown to science or for which there are no reference sequences available. These issues can lead to substantial classification uncertainty, particularly in inferring new taxa. To address these challenges, we propose a new class of Bayesian nonparametric taxonomic classifiers, BayesANT, which use species sampling model priors to allow new taxa to be discovered at each taxonomic rank. Using a simple product multinomial likelihood with conjugate Dirichlet priors at the lowest rank, a highly efficient algorithm is developed to provide a probabilistic prediction of the taxa placement of each sequence at each rank. BayesANT is shown to have excellent performance in real data, including when many sequences in the test set belong to taxa unobserved in training.

There is a need for new models for characterizing dependence in multivariate data. The multivariate Gaussian distribution is routinely used, but cannot characterize nonlinear relationships in the data. Most non-linear extensions tend to be highly complex; for example, involving estimation of a non-linear regression model in latent variables. In this article, we propose a relatively simple class of Ellipsoid-Gaussian multivariate distributions, which are derived by using a Gaussian linear factor model involving latent variables having a von Mises-Fisher distribution on a unit hyper-sphere. We show that the Ellipsoid-Gaussian distribution can flexibly model curved relationships among variables with lower-dimensional structures. Taking a Bayesian approach, we propose a hybrid of gradient-based geodesic Monte Carlo and adaptive Metropolis for posterior sampling. We derive basic properties and illustrate the utility of the Ellipsoid-Gaussian distribution on a variety of simulated and real data applications. An accompanying R package is also available.

We propose a class of nonstationary processes to characterize space- and time-varying directional associations in point-referenced data. We are motivated by spatiotemporal modeling of air pollutants in which local wind patterns are key determinants of the pollutant spread, but information regarding prevailing wind directions may be missing or unreliable. We propose to map a discrete set of wind directions to edges in a sparse directed acyclic graph (DAG), accounting for uncertainty in directional correlation patterns across a domain. The resulting Bag of DAGs processes (BAGs) lead to interpretable nonstationarity and scalability for large data due to sparsity of DAGs in the bag. We outline Bayesian hierarchical models using BAGs and illustrate inferential and performance gains of our methods compared to other state-of-the-art alternatives. We analyze fine particulate matter using high-resolution data from low-cost air quality sensors in California during the 2020 wildfire season. An R package is available on GitHub.

The Susceptible-Infectious-Recovered (SIR) equations and their extensions comprise a commonly utilized set of models for understanding and predicting the course of an epidemic. In practice, it is of substantial interest to estimate the model parameters based on noisy observations early in the outbreak, well before the epidemic reaches its peak. This allows prediction of the subsequent course of the epidemic and design of appropriate interventions. However, accurately inferring SIR model parameters in such scenarios is problematic. This article provides novel, theoretical insight on this issue of practical identifiability of the SIR model. Our theory provides new understanding of the inferential limits of routinely used epidemic models and provides a valuable addition to current simulate-and-check methods. We illustrate some practical implications through application to a real-world epidemic data set.

Hypothesis testing of structure in correlation and covariance matrices is of broad interest in many application areas. In high dimensions and/or small to moderate sample sizes, high error rates in testing is a substantial concern. This article focuses on increasing power through a frequentist assisted by Bayes (FAB) procedure. This FAB approach boosts power by including prior information on the correlation parameters. In particular, we suppose there is one of two sources of prior information: (i) a prior dataset that is distinct from the current data but related enough that it may contain valuable information about the correlation structure in the current data; and (ii) knowledge about a tendency for the correlations in different parameters to be similar so that it is appropriate to consider a hierarchical model. When the prior information is relevant, the proposed FAB approach can have significant gains in power. A divide-and-conquer algorithm is developed to reduce computational complexity in massive testing dimensions. We show improvements in power for detecting correlated gene pairs in genomic studies while maintaining control of Type I error or false discover rate (FDR)., Comment: 35 Pages; 24 Figures

In analyzing complex datasets, it is often of interest to infer lower dimensional structure underlying the higher dimensional observations. As a flexible class of nonlinear structures, it is common to focus on Riemannian manifolds. Most existing manifold learning algorithms replace the original data with lower dimensional coordinates without providing an estimate of the manifold in the observation space or using the manifold to denoise the original data. This article proposes a new methodology for addressing these problems, allowing interpolation of the estimated manifold between fitted data points. The proposed approach is motivated by novel theoretical properties of local covariance matrices constructed from noisy samples on a manifold. Our results enable us to turn a global manifold reconstruction problem into a local regression problem, allowing application of Gaussian processes for probabilistic manifold reconstruction. In addition to theory justifying the algorithm, we provide simulated and real data examples to illustrate the performance., Comment: 51 pages, 20 figures

Mixed Membership Models (MMMs) are a popular family of latent structure models for complex multivariate data. Instead of forcing each subject to belong to a single cluster, MMMs incorporate a vector of subject-specific weights characterizing partial membership across clusters. With this flexibility come challenges in uniquely identifying, estimating, and interpreting the parameters. In this article, we propose a new class of Dimension-Grouped MMMs (Gro-M$^3$s) for multivariate categorical data, which improve parsimony and interpretability. In Gro-M$^3$s, observed variables are partitioned into groups such that the latent membership is constant for variables within a group but can differ across groups. Traditional latent class models are obtained when all variables are in one group, while traditional MMMs are obtained when each variable is in its own group. The new model corresponds to a novel decomposition of probability tensors. Theoretically, we derive transparent identifiability conditions for both the unknown grouping structure and model parameters in general settings. Methodologically, we propose a Bayesian approach for Dirichlet Gro-M$^3$s to inferring the variable grouping structure and estimating model parameters. Simulation results demonstrate good computational performance and empirically confirm the identifiability results. We illustrate the new methodology through applications to a functional disability survey dataset and a personality test dataset.

A wide class of Bayesian models involve unidentifiable random matrices that display rotational ambiguity, with the Gaussian factor model being a typical example. A rich variety of Markov chain Monte Carlo (MCMC) algorithms have been proposed for sampling the parameters of these models. However, without identifiability constraints, reliable posterior summaries of the parameters cannot be obtained directly from the MCMC output. As an alternative, we propose a computationally efficient post-processing algorithm that allows inference on non-identifiable parameters. We first orthogonalize the posterior samples using Varimax and then tackle label and sign switching with a greedy matching algorithm. We compare the performance and computational complexity with other methods using a simulation study and chemical exposures data. The algorithm implementation is available in the infinitefactor R package on CRAN.

Subspace-valued functions arise in a wide range of problems, including parametric reduced order modeling (PROM). In PROM, each parameter point can be associated with a subspace, which is used for Petrov-Galerkin projections of large system matrices. Previous efforts to approximate such functions use interpolations on manifolds, which can be inaccurate and slow. To tackle this, we propose a novel Bayesian nonparametric model for subspace prediction: the Gaussian Process Subspace regression (GPS) model. This method is extrinsic and intrinsic at the same time: with multivariate Gaussian distributions on the Euclidean space, it induces a joint probability model on the Grassmann manifold, the set of fixed-dimensional subspaces. The GPS adopts a simple yet general correlation structure, and a principled approach for model selection. Its predictive distribution admits an analytical form, which allows for efficient subspace prediction over the parameter space. For PROM, the GPS provides a probabilistic prediction at a new parameter point that retains the accuracy of local reduced models, at a computational complexity that does not depend on system dimension, and thus is suitable for online computation. We give four numerical examples to compare our method to subspace interpolation, as well as two methods that interpolate local reduced models. Overall, GPS is the most data efficient, more computationally efficient than subspace interpolation, and gives smooth predictions with uncertainty quantification., Comment: 20 pages, 4 figures; with supplementary material

In multivariate data analysis, it is often important to estimate a graph characterizing dependence among (p) variables. A popular strategy uses the non-zero entries in a (p\times p) covariance or precision matrix, typically requiring restrictive modeling assumptions for accurate graph recovery. To improve model robustness, we instead focus on estimating the {\em backbone} of the dependence graph. We use a spanning tree likelihood, based on a minimalist graphical model that is purposely overly-simplified. Taking a Bayesian approach, we place a prior on the space of trees and quantify uncertainty in the graphical model. In both theory and experiments, we show that this model does not require the population graph to be a spanning tree or the covariance to satisfy assumptions beyond positive-definiteness. The model accurately recovers the backbone of the population graph at a rate competitive with existing approaches but with better robustness. We show combinatorial properties of the spanning tree, which may be of independent interest, and develop an efficient Gibbs sampler for Bayesian inference. Analyzing electroencephalography data using a Hidden Markov Model with each latent state modeled by a spanning tree, we show that results are much more interpretable compared with popular alternatives.