David Dunson

Tao Tang, Simon Mak, David Dunson

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.

Edric Tam, David Dunson

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).

Theodore Papamarkou, Maria Skoularidou, Konstantina Palla et al.

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.

Edric Tam, David Dunson

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.

Ruda Zhang, Simon Mak, David Dunson

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.

Sean Plummer, Shuang Zhou, Anirban Bhattacharya et al.

Transformation-based methods have been an attractive approach in non-parametric inference for problems such as unconditional and conditional density estimation due to their unique hierarchical structure that models the data as flexible transformation of a set of common latent variables. More recently, transformation-based models have been used in variational inference (VI) to construct flexible implicit families of variational distributions. However, their use in both non-parametric inference and variational inference lacks theoretical justification. We provide theoretical justification for the use of non-linear latent variable models (NL-LVMs) in non-parametric inference by showing that the support of the transformation induced prior in the space of densities is sufficiently large in the $L_1$ sense. We also show that, when a Gaussian process (GP) prior is placed on the transformation function, the posterior concentrates at the optimal rate up to a logarithmic factor. Adopting the flexibility demonstrated in the non-parametric setting, we use the NL-LVM to construct an implicit family of variational distributions, deemed GP-IVI. We delineate sufficient conditions under which GP-IVI achieves optimal risk bounds and approximates the true posterior in the sense of the Kullback-Leibler divergence. To the best of our knowledge, this is the first work on providing theoretical guarantees for implicit variational inference.

Deborshee Sen, Theodore Papamarkou, David Dunson

In conducting non-linear dimensionality reduction and feature learning, it is common to suppose that the data lie near a lower-dimensional manifold. A class of model-based approaches for such problems includes latent variables in an unknown non-linear regression function; this includes Gaussian process latent variable models and variational auto-encoders (VAEs) as special cases. VAEs are artificial neural networks (ANNs) that employ approximations to make computation tractable; however, current implementations lack adequate uncertainty quantification in estimating the parameters, predictive densities, and lower-dimensional subspace, and can be unstable and lack interpretability in practice. We attempt to solve these problems by deploying Markov chain Monte Carlo sampling algorithms (MCMC) for Bayesian inference in ANN models with latent variables. We address issues of identifiability by imposing constraints on the ANN parameters as well as by using anchor points. This is demonstrated on simulated and real data examples. We find that current MCMC sampling schemes face fundamental challenges in neural networks involving latent variables, motivating new research directions.

Debolina Paul, Saptarshi Chakraborty, Didong Li et al.

Even with the rise in popularity of over-parameterized models, simple dimensionality reduction and clustering methods, such as PCA and k-means, are still routinely used in an amazing variety of settings. A primary reason is the combination of simplicity, interpretability and computational efficiency. The focus of this article is on improving upon PCA and k-means, by allowing non-linear relations in the data and more flexible cluster shapes, without sacrificing the key advantages. The key contribution is a new framework for Principal Elliptical Analysis (PEA), defining a simple and computationally efficient alternative to PCA that fits the best elliptical approximation through the data. We provide theoretical guarantees on the proposed PEA algorithm using Vapnik-Chervonenkis (VC) theory to show strong consistency and uniform concentration bounds. Toy experiments illustrate the performance of PEA, and the ability to adapt to non-linear structure and complex cluster shapes. In a rich variety of real data clustering applications, PEA is shown to do as well as k-means for simple datasets, while dramatically improving performance in more complex settings.

Austin Talbot, David Dunson, Kafui Dzirasa et al.

Targeted stimulation of the brain has the potential to treat mental illnesses. We propose an approach to help design the stimulation protocol by identifying electrical dynamics across many brain regions that relate to illness states. We model multi-region electrical activity as a superposition of activity from latent networks, where the weights on the latent networks relate to an outcome of interest. In order to improve on drawbacks of latent factor modeling in this context, we focus on supervised autoencoders (SAEs), which can improve predictive performance while maintaining a generative model. We explain why SAEs yield improved predictions, describe the distributional assumptions under which SAEs are an appropriate modeling choice, and provide modeling constraints to ensure biological relevance of the learned network. We use the analysis strategy to find a network associated with stress that characterizes a genotype associated with bipolar disorder. This discovered network aligns with a previously used stimulation technique, providing experimental validation of our approach.

Edric Tam, David Dunson

We introduce a novel regularization approach for deep learning that incorporates and respects the underlying graphical structure of the neural network. Existing regularization methods often focus on dropping/penalizing weights in a global 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 support for this approach via spectral graph theory. We list several useful properties of the Fiedler value that makes it suitable in regularization. We provide an approximate, variational approach for fast computation in practical training of neural networks. We provide bounds on such approximations. We provide an alternative but equivalent formulation of this framework in the form of a structurally weighted L1 penalty, thus linking our approach to sparsity induction. We performed experiments on datasets that compare Fiedler regularization with traditional regularization methods such as dropout and weight decay. Results demonstrate the efficacy of Fiedler regularization.

Jieren Xu, Yitong Li, Haizhao Yang et al.

This paper proposes a novel kernel-based optimization scheme to handle tasks in the analysis, e.g., signal spectral estimation and single-channel source separation of 1D non-stationary oscillatory data. The key insight of our optimization scheme for reconstructing the time-frequency information is that when a nonparametric regression is applied on some input values, the output regressed points would lie near the oscillatory pattern of the oscillatory 1D signal only if these input values are a good approximation of the ground-truth phase function. In this work, Gaussian Process (GP) is chosen to conduct this nonparametric regression: the oscillatory pattern is encoded as the Pattern-inducing Points (PiPs) which act as the training data points in the GP regression; while the targeted phase function is fed in to compute the correlation kernels, acting as the testing input. Better approximated phase function generates more precise kernels, thus resulting in smaller optimization loss error when comparing the kernel-based regression output with the original signals. To the best of our knowledge, this is the first algorithm that can satisfactorily handle fully non-stationary oscillatory data, close and crossover frequencies, and general oscillatory patterns. Even in the example of a signal {produced by slow variation in the parameters of a trigonometric expansion}, we show that PiPs admits competitive or better performance in terms of accuracy and robustness than existing state-of-the-art algorithms.

Jun Lu, Meng Li, David Dunson

Dirichlet process mixture (DPM) models tend to produce many small clusters regardless of whether they are needed to accurately characterize the data - this is particularly true for large data sets. However, interpretability, parsimony, data storage and communication costs all are hampered by having overly many clusters. We propose a powered Chinese restaurant process to limit this kind of problem and penalize over clustering. The method is illustrated using some simulation examples and data with large and small sample size including MNIST and the Old Faithful Geyser data.

Mu Niu, Pokman Cheung, Lizhen Lin et al.

We propose a class of intrinsic Gaussian processes (in-GPs) for interpolation, regression and classification on manifolds with a primary focus on complex constrained domains or irregular shaped spaces arising as subsets or submanifolds of R, R2, R3 and beyond. For example, in-GPs can accommodate spatial domains arising as complex subsets of Euclidean space. in-GPs respect the potentially complex boundary or interior conditions as well as the intrinsic geometry of the spaces. The key novelty of the proposed approach is to utilise the relationship between heat kernels and the transition density of Brownian motion on manifolds for constructing and approximating valid and computationally feasible covariance kernels. This enables in-GPs to be practically applied in great generality, while existing approaches for smoothing on constrained domains are limited to simple special cases. The broad utilities of the in-GP approach is illustrated through simulation studies and data examples.

Xiangyu Wang, David Dunson, Chenlei Leng

Fitting statistical models is computationally challenging when the sample size or the dimension of the dataset is huge. An attractive approach for down-scaling the problem size is to first partition the dataset into subsets and then fit using distributed algorithms. The dataset can be partitioned either horizontally (in the sample space) or vertically (in the feature space). While the majority of the literature focuses on sample space partitioning, feature space partitioning is more effective when $p\gg n$. Existing methods for partitioning features, however, are either vulnerable to high correlations or inefficient in reducing the model dimension. In this paper, we solve these problems through a new embarrassingly parallel framework named DECO for distributed variable selection and parameter estimation. In DECO, variables are first partitioned and allocated to $m$ distributed workers. The decorrelated subset data within each worker are then fitted via any algorithm designed for high-dimensional problems. We show that by incorporating the decorrelation step, DECO can achieve consistent variable selection and parameter estimation on each subset with (almost) no assumptions. In addition, the convergence rate is nearly minimax optimal for both sparse and weakly sparse models and does NOT depend on the partition number $m$. Extensive numerical experiments are provided to illustrate the performance of the new framework.

Xiangyu Wang, David Dunson, Chenlei Leng

Ordinary least squares (OLS) is the default method for fitting linear models, but is not applicable for problems with dimensionality larger than the sample size. For these problems, we advocate the use of a generalized version of OLS motivated by ridge regression, and propose two novel three-step algorithms involving least squares fitting and hard thresholding. The algorithms are methodologically simple to understand intuitively, computationally easy to implement efficiently, and theoretically appealing for choosing models consistently. Numerical exercises comparing our methods with penalization-based approaches in simulations and data analyses illustrate the great potential of the proposed algorithms.

Xiangyu Wang, Peichao Peng, David Dunson

For massive data sets, efficient computation commonly relies on distributed algorithms that store and process subsets of the data on different machines, minimizing communication costs. Our focus is on regression and classification problems involving many features. A variety of distributed algorithms have been proposed in this context, but challenges arise in defining an algorithm with low communication, theoretical guarantees and excellent practical performance in general settings. We propose a MEdian Selection Subset AGgregation Estimator (message) algorithm, which attempts to solve these problems. The algorithm applies feature selection in parallel for each subset using Lasso or another method, calculates the `median' feature inclusion index, estimates coefficients for the selected features in parallel for each subset, and then averages these estimates. The algorithm is simple, involves very minimal communication, scales efficiently in both sample and feature size, and has theoretical guarantees. In particular, we show model selection consistency and coefficient estimation efficiency. Extensive experiments show excellent performance in variable selection, estimation, prediction, and computation time relative to usual competitors.

Bruno Cornelis, Yun Yang, Joshua T. Vogelstein et al.

The preservation of our cultural heritage is of paramount importance. Thanks to recent developments in digital acquisition techniques, powerful image analysis algorithms are developed which can be useful non-invasive tools to assist in the restoration and preservation of art. In this paper we propose a semi-supervised crack detection method that can be used for high-dimensional acquisitions of paintings coming from different modalities. Our dataset consists of a recently acquired collection of images of the Ghent Altarpiece (1432), one of Northern Europe's most important art masterpieces. Our goal is to build a classifier that is able to discern crack pixels from the background consisting of non-crack pixels, making optimal use of the information that is provided by each modality. To accomplish this we employ a recently developed non-parametric Bayesian classifier, that uses tensor factorizations to characterize any conditional probability. A prior is placed on the parameters of the factorization such that every possible interaction between predictors is allowed while still identifying a sparse subset among these predictors. The proposed Bayesian classifier, which we will refer to as conditional Bayesian tensor factorization or CBTF, is assessed by visually comparing classification results with the Random Forest (RF) algorithm.

Mingyuan Zhou, Lingbo Li, David Dunson et al.

In regression analysis of counts, a lack of simple and efficient algorithms for posterior computation has made Bayesian approaches appear unattractive and thus underdeveloped. We propose a lognormal and gamma mixed negative binomial (NB) regression model for counts, and present efficient closed-form Bayesian inference; unlike conventional Poisson models, the proposed approach has two free parameters to include two different kinds of random effects, and allows the incorporation of prior information, such as sparsity in the regression coefficients. By placing a gamma distribution prior on the NB dispersion parameter r, and connecting a lognormal distribution prior with the logit of the NB probability parameter p, efficient Gibbs sampling and variational Bayes inference are both developed. The closed-form updates are obtained by exploiting conditional conjugacy via both a compound Poisson representation and a Polya-Gamma distribution based data augmentation approach. The proposed Bayesian inference can be implemented routinely, while being easily generalizable to more complex settings involving multivariate dependence structures. The algorithms are illustrated using real examples.

Ivo Shterev, David Dunson

This paper presents an application of statistical machine learning to the field of watermarking. We propose a new attack model on additive spread-spectrum watermarking systems. The proposed attack is based on Bayesian statistics. We consider the scenario in which a watermark signal is repeatedly embedded in specific, possibly chosen based on a secret message bitstream, segments (signals) of the host data. The host signal can represent a patch of pixels from an image or a video frame. We propose a probabilistic model that infers the embedded message bitstream and watermark signal, directly from the watermarked data, without access to the decoder. We develop an efficient Markov chain Monte Carlo sampler for updating the model parameters from their conjugate full conditional posteriors. We also provide a variational Bayesian solution, which further increases the convergence speed of the algorithm. Experiments with synthetic and real image signals demonstrate that the attack model is able to correctly infer a large part of the message bitstream and obtain a very accurate estimate of the watermark signal.

Lauren Hannah, David Dunson

Convex regression is a promising area for bridging statistical estimation and deterministic convex optimization. New piecewise linear convex regression methods are fast and scalable, but can have instability when used to approximate constraints or objective functions for optimization. Ensemble methods, like bagging, smearing and random partitioning, can alleviate this problem and maintain the theoretical properties of the underlying estimator. We empirically examine the performance of ensemble methods for prediction and optimization, and then apply them to device modeling and constraint approximation for geometric programming based circuit design.