arXiv subjects

Yanxun Xu

Publications and source records attributed to Yanxun Xu.

At least 37 records · Page 2Linked to original sources

arXiv2022

Bayesian Tensor-on-Tensor Regression with Efficient Computation

We propose a Bayesian tensor-on-tensor regression approach to predict a multidimensional array (tensor) of arbitrary dimensions from another tensor of arbitrary dimensions, building upon the Tucker decomposition of the regression coefficient tensor. Traditional tensor regression methods making use of the Tucker decomposition either assume the dimension of the core tensor to be known or estimate it via cross-validation or some model selection criteria. However, no existing method can simultaneously estimate the model dimension (the dimension of the core tensor) and other model parameters. To fill this gap, we develop an efficient Markov Chain Monte Carlo (MCMC) algorithm to estimate both the model dimension and parameters for posterior inference. Besides the MCMC sampler, we also develop an ultra-fast optimization-based computing algorithm wherein the maximum a posteriori estimators for parameters are computed, and the model dimension is optimized via a simulated annealing algorithm. The proposed Bayesian framework provides a natural way for uncertainty quantification. Through extensive simulation studies, we evaluate the proposed Bayesian tensor-on-tensor regression model and show its superior performance compared to alternative methods. We also demonstrate its practical effectiveness by applying it to two real-world datasets, including facial imaging data and 3D motion data.

stat.ME↗

arXiv2022

Offline Reinforcement Learning with Instrumental Variables in Confounded Markov Decision Processes

We study the offline reinforcement learning (RL) in the face of unmeasured confounders. Due to the lack of online interaction with the environment, offline RL is facing the following two significant challenges: (i) the agent may be confounded by the unobserved state variables; (ii) the offline data collected a prior does not provide sufficient coverage for the environment. To tackle the above challenges, we study the policy learning in the confounded MDPs with the aid of instrumental variables. Specifically, we first establish value function (VF)-based and marginalized importance sampling (MIS)-based identification results for the expected total reward in the confounded MDPs. Then by leveraging pessimism and our identification results, we propose various policy learning methods with the finite-sample suboptimality guarantee of finding the optimal in-class policy under minimal data coverage and modeling assumptions. Lastly, our extensive theoretical investigations and one numerical study motivated by the kidney transplantation demonstrate the promising performance of the proposed methods.

cs.LG↗

arXiv2021

Prediction of Carbon Nanostructure Mechanical Properties and Role of Defects Using Machine Learning

Carbon fiber and graphene-based nanostructures such as carbon nanotubes (CNTs) and defective structures have extraordinary potential as strong and lightweight materials. A longstanding bottleneck has been lack of understanding and implementation of atomic-scale engineering to harness the theoretical limits of modulus and tensile strength, of which only a fraction is routinely reached today. Here we demonstrate accurate and fast predictions of mechanical properties for CNTs and arbitrary 3D graphitic assemblies based on a training set of over 1000 stress-strain curves from cutting-edge reactive MD simulation and machine learning (ML). Several ML methods are compared and show that our newly proposed hierarchically structured graph neural networks with spatial information (HS-GNNs) achieve predictions in modulus and strength for any 3D nanostructure with only 5-10% error across a wide range of possible values. The reliability is sufficient for practical applications and a great improvement over off-the shelf ML methods with up to 50% deviation, as well as over earlier models for specific chemistry with 20% deviation. The algorithms allow more than 10 times faster mechanical property predictions than traditional molecular dynamics simulations, the identification of the role of defects and random 3D morphology, and high-throughput screening of 3D structures for enhanced mechanical properties. The algorithms can be scaled to morphologies up to 100 nm in size, expanded for chemically similar compounds, and trained to predict a broader range of properties.

cond-mat.mtrl-sci↗

arXiv2021

Data-driven discovery of interpretable causal relations for deep learning material laws with uncertainty propagation

This paper presents a computational framework that generates ensemble predictive mechanics models with uncertainty quantification (UQ). We first develop a causal discovery algorithm to infer causal relations among time-history data measured during each representative volume element (RVE) simulation through a directed acyclic graph (DAG). With multiple plausible sets of causal relationships estimated from multiple RVE simulations, the predictions are propagated in the derived causal graph while using a deep neural network equipped with dropout layers as a Bayesian approximation for uncertainty quantification. We select two representative numerical examples (traction-separation laws for frictional interfaces, elastoplasticity models for granular assembles) to examine the accuracy and robustness of the proposed causal discovery method for the common material law predictions in civil engineering applications.

cs.LG↗

arXiv2021

Personalized Dynamic Treatment Regimes in Continuous Time: A Bayesian Approach for Optimizing Clinical Decisions with Timing

Accurate models of clinical actions and their impacts on disease progression are critical for estimating personalized optimal dynamic treatment regimes (DTRs) in medical/health research, especially in managing chronic conditions. Traditional statistical methods for DTRs usually focus on estimating the optimal treatment or dosage at each given medical intervention, but overlook the important question of "when this intervention should happen." We fill this gap by developing a two-step Bayesian approach to optimize clinical decisions with timing. In the first step, we build a generative model for a sequence of medical interventions-which are discrete events in continuous time-with a marked temporal point process (MTPP) where the mark is the assigned treatment or dosage. Then this clinical action model is embedded into a Bayesian joint framework where the other components model clinical observations including longitudinal medical measurements and time-to-event data conditional on treatment histories. In the second step, we propose a policy gradient method to learn the personalized optimal clinical decision that maximizes the patient survival by interacting the MTPP with the model on clinical observations while accounting for uncertainties in clinical observations learned from the posterior inference of the Bayesian joint model in the first step. A signature application of the proposed approach is to schedule follow-up visitations and assign a dosage at each visitation for patients after kidney transplantation. We evaluate our approach with comparison to alternative methods on both simulated and real-world datasets. In our experiments, the personalized decisions made by the proposed method are clinically useful: they are interpretable and successfully help improve patient survival.

stat.ME↗

arXiv2020

Efficient Estimation for Random Dot Product Graphs via a One-step Procedure

We propose a one-step procedure to estimate the latent positions in random dot product graphs efficiently. Unlike the classical spectral-based methods such as the adjacency and Laplacian spectral embedding, the proposed one-step procedure takes advantage of both the low-rank structure of the expected adjacency matrix and the Bernoulli likelihood information of the sampling model simultaneously. We show that for each vertex, the corresponding row of the one-step estimator converges to a multivariate normal distribution after proper scaling and centering up to an orthogonal transformation, with an efficient covariance matrix. The initial estimator for the one-step procedure needs to satisfy the so-called approximate linearization property. The one-step estimator improves the commonly-adopted spectral embedding methods in the following sense: Globally for all vertices, it yields an asymptotic sum of squares error no greater than those of the spectral methods, and locally for each vertex, the asymptotic covariance matrix of the corresponding row of the one-step estimator dominates those of the spectral embeddings in spectra. The usefulness of the proposed one-step procedure is demonstrated via numerical examples and the analysis of a real-world Wikipedia graph dataset.

math.ST↗

arXiv2020

BAGEL: A Bayesian Graphical Model for Inferring Drug Effect Longitudinally on Depression in People with HIV

Access and adherence to antiretroviral therapy (ART) has transformed the face of HIV infection from a fatal to a chronic disease. However, ART is also known for its side effects. Studies have reported that ART is associated with depressive symptomatology. Large-scale HIV clinical databases with individuals' longitudinal depression records, ART medications, and clinical characteristics offer researchers unprecedented opportunities to study the effects of ART drugs on depression over time. We develop BAGEL, a Bayesian graphical model to investigate longitudinal effects of ART drugs on a range of depressive symptoms while adjusting for participants' demographic, behavior, and clinical characteristics, and taking into account the heterogeneous population through a Bayesian nonparametric prior. We evaluate BAGEL through simulation studies. Application to a dataset from the Women's Interagency HIV Study yields interpretable and clinically useful results. BAGEL not only can improve our understanding of ART drugs effects on disparate depression symptoms, but also has clinical utility in guiding informed and effective treatment selection to facilitate precision medicine in HIV.

stat.ME↗

arXiv2020

A Bayesian Nonparametric Approach for Inferring Drug Combination Effects on Mental Health in People with HIV

Although combination antiretroviral therapy (ART) is highly effective in suppressing viral load for people with HIV (PWH), many ART agents may exacerbate central nervous system (CNS)-related adverse effects including depression. Therefore, understanding the effects of ART drugs on the CNS function, especially mental health, can help clinicians personalize medicine with less adverse effects for PWH and prevent them from discontinuing their ART to avoid undesirable health outcomes and increased likelihood of HIV transmission. The emergence of electronic health records offers researchers unprecedented access to HIV data including individuals' mental health records, drug prescriptions, and clinical information over time. However, modeling such data is very challenging due to high-dimensionality of the drug combination space, the individual heterogeneity, and sparseness of the observed drug combinations. We develop a Bayesian nonparametric approach to learn drug combination effect on mental health in PWH adjusting for socio-demographic, behavioral, and clinical factors. The proposed method is built upon the subset-tree kernel method that represents drug combinations in a way that synthesizes known regimen structure into a single mathematical representation. It also utilizes a distance-dependent Chinese restaurant process to cluster heterogeneous population while taking into account individuals' treatment histories. We evaluate the proposed approach through simulation studies, and apply the method to a dataset from the Women's Interagency HIV Study, yielding interpretable and promising results. Our method has clinical utility in guiding clinicians to prescribe more informed and effective personalized treatment based on individuals' treatment histories and clinical characteristics.

stat.ME↗

arXiv2019

A Bayesian Nonparametric Approach for Evaluating the Causal Effect of Treatment in Randomized Trials with Semi-Competing Risks

We develop a Bayesian nonparametric (BNP) approach to evaluate the causal effect of treatment in a randomized trial where a nonterminal event may be censored by a terminal event, but not vice versa (i.e., semi-competing risks). Based on the idea of principal stratification, we define a novel estimand for the causal effect of treatment on the nonterminal event. We introduce identification assumptions, indexed by a sensitivity parameter, and show how to draw inference using our BNP approach. We conduct simulation studies and illustrate our methodology using data from a brain cancer trial.

stat.ME↗

arXiv2019

BAREB: A Bayesian repulsive biclustering model for periodontal data

Preventing periodontal diseases (PD) and maintaining the structure and function of teeth are important goals for personal oral care. To understand the heterogeneity in patients with diverse PD patterns, we develop BAREB, a Bayesian repulsive biclustering method that can simultaneously cluster the PD patients and their tooth sites after taking the patient- and site- level covariates into consideration. BAREB uses the determinantal point process (DPP) prior to induce diversity among different biclusters to facilitate parsimony and interpretability. Since PD progression is hypothesized to be spatially-referenced, BAREB factors in the spatial dependence among tooth sites. In addition, since PD is the leading cause for tooth loss, the missing data mechanism is non-ignorable. Such nonrandom missingness is incorporated into BAREB. For the posterior inference, we design an efficient reversible jump Markov chain Monte Carlo sampler. Simulation studies show that BAREB is able to accurately estimate the biclusters, and compares favorably to alternatives. For real world application, we apply BAREB to a dataset from a clinical PD study, and obtain desirable and interpretable results. A major contribution of this paper is the Rcpp implementation of BAREB, available at https://github.com/YanxunXu/ BAREB.

stat.AP↗

arXiv2019

A Theoretical Framework for Bayesian Nonparametric Regression

We develop a unifying framework for Bayesian nonparametric regression to study the rates of contraction with respect to the integrated $L_2$-distance without assuming the regression function space to be uniformly bounded. The framework is very flexible and can be applied to a wide class of nonparametric prior models. Three non-trivial applications of the proposed framework are provided: The finite random series regression of an $α$-Hölder function, with adaptive rates of contraction up to a logarithmic factor; The un-modified block prior regression of an $α$-Sobolev function, with adaptive-and-exact rates of contraction; The Gaussian spline regression of an $α$-Hölder function, with the near-optimal posterior contraction. These applications serve as generalization or complement of their respective results in the literature. Extensions to the fixed-design regression problem and sparse additive models in high dimensions are discussed as well.

math.ST↗

arXiv2019

Optimal Bayesian Estimation for Random Dot Product Graphs

We propose a Bayesian approach, called the posterior spectral embedding, for estimating the latent positions in random dot product graphs, and prove its optimality. Unlike the classical spectral-based adjacency/Laplacian spectral embedding, the posterior spectral embedding is a fully-likelihood based graph estimation method taking advantage of the Bernoulli likelihood information of the observed adjacency matrix. We develop a minimax-lower bound for estimating the latent positions, and show that the posterior spectral embedding achieves this lower bound since it both results in a minimax-optimal posterior contraction rate, and yields a point estimator achieving the minimax risk asymptotically. The convergence results are subsequently applied to clustering in stochastic block models, the result of which strengthens an existing result concerning the number of mis-clustered vertices. We also study a spectral-based Gaussian spectral embedding as a natural Bayesian analogy of the adjacency spectral embedding, but the resulting posterior contraction rate is sub-optimal with an extra logarithmic factor. The practical performance of the proposed methodology is illustrated through extensive synthetic examples and the analysis of a Wikipedia graph data.

math.ST↗

arXiv2019

ASIED: A Bayesian Adaptive Subgroup-Identification Enrichment Design

Developing targeted therapies based on patients' baseline characteristics and genomic profiles such as biomarkers has gained growing interests in recent years. Depending on patients' clinical characteristics, the expression of specific biomarkers or their combinations, different patient subgroups could respond differently to the same treatment. An ideal design, especially at the proof of concept stage, should search for such subgroups and make dynamic adaptation as the trial goes on. When no prior knowledge is available on whether the treatment works on the all-comer population or only works on the subgroup defined by one biomarker or several biomarkers, it is necessary to incorporate the adaptive estimation of the heterogeneous treatment effect to the decision-making at interim analyses. To address this problem, we propose an Adaptive Subgroup-Identification Enrichment Design, ASIED, to simultaneously search for predictive biomarkers, identify the subgroups with differential treatment effects, and modify study entry criteria at interim analyses when justified. More importantly, we construct robust quantitative decision-making rules for population enrichment when the interim outcomes are heterogeneous in the context of a multilevel target product profile, which defines the minimal and targeted levels of treatment effect. Through extensive simulations, the ASIED is demonstrated to achieve desirable operating characteristics and compare favorably against alternatives.

stat.AP↗

arXiv2019

Bayesian Projected Calibration of Computer Models

We develop a Bayesian approach called Bayesian projected calibration to address the problem of calibrating an imperfect computer model using observational data from a complex physical system. The calibration parameter and the physical system are parametrized in an identifiable fashion via $L_2$-projection. The physical process is assigned a Gaussian process prior, which naturally induces a prior distribution on the calibration parameter through the $L_2$-projection constraint. The calibration parameter is estimated through its posterior distribution, which provides a natural and non-asymptotic way for the uncertainty quantification. We provide a rigorous large sample justification for the proposed approach by establishing the asymptotic normality of the posterior of the calibration parameter with the efficient covariance matrix. In addition, two efficient computational algorithms based on stochastic approximation are designed with theoretical guarantees. Through extensive simulation studies and two real-world datasets analyses, we show that the Bayesian projected calibration can accurately estimate the calibration parameters, appropriately calibrate the computer models, and compare favorably to alternative approaches.

stat.ME↗

arXiv2019

Bayesian Estimation of Sparse Spiked Covariance Matrices in High Dimensions

We propose a Bayesian methodology for estimating spiked covariance matrices with jointly sparse structure in high dimensions. The spiked covariance matrix is reparametrized in terms of the latent factor model, where the loading matrix is equipped with a novel matrix spike-and-slab LASSO prior, which is a continuous shrinkage prior for modeling jointly sparse matrices. We establish the rate-optimal posterior contraction for the covariance matrix with respect to the operator norm as well as that for the principal subspace with respect to the projection operator norm loss. We also study the posterior contraction rate of the principal subspace with respect to the two-to-infinity norm loss, a novel loss function measuring the distance between subspaces that is able to capture element-wise eigenvector perturbations. We show that the posterior contraction rate with respect to the two-to-infinity norm loss is tighter than that with respect to the routinely used projection operator norm loss under certain low-rank and bounded coherence conditions. In addition, a point estimator for the principal subspace is proposed with the rate-optimal risk bound with respect to the projection operator norm loss. These results are based on a collection of concentration and large deviation inequalities for the matrix spike-and-slab LASSO prior. The numerical performance of the proposed methodology is assessed through synthetic examples and the analysis of a real-world face data example.

stat.ME↗

arXiv2018

Adaptive Bayesian nonparametric regression using kernel mixture of polynomials with application to partial linear model

We propose a kernel mixture of polynomials prior for Bayesian nonparametric regression. The regression function is modeled by local averages of polynomials with kernel mixture weights. We obtain the minimax-optimal rate of contraction of the full posterior distribution up to a logarithmic factor that adapts to the smoothness level of the true function by estimating metric entropies of certain function classes. We also provide a frequentist sieve maximum likelihood estimator with a near-optimal convergence rate. We further investigate the application of the kernel mixture of polynomials to the partial linear model and obtain both the near-optimal rate of contraction for the nonparametric component and the Bernstein-von Mises limit (i.e., asymptotic normality) of the parametric component. The proposed method is illustrated with numerical examples and shows superior performance in terms of computational efficiency, accuracy, and uncertainty quantification compared to the local polynomial regression, DiceKriging, and the robust Gaussian stochastic process.

math.ST↗

arXiv2018

A Nonparametric Bayesian Basket Trial Design

Targeted therapies on the basis of genomic aberrations analysis of the tumor have shown promising results in cancer prognosis and treatment. Regardless of tumor type, trials that match patients to targeted therapies for their particular genomic aberrations have become a mainstream direction of therapeutic management of patients with cancer. Therefore, finding the subpopulation of patients who can most benefit from an aberration-specific targeted therapy across multiple cancer types is important. We propose an adaptive Bayesian clinical trial design for patient allocation and subpopulation identification. We start with a decision theoretic approach, including a utility function and a probability model across all possible subpopulation models. The main features of the proposed design and population finding methods are that we allow for variable sets of covariates to be recorded by different patients, adjust for missing data, allow high order interactions of covariates, and the adaptive allocation of each patient to treatment arms using the posterior predictive probability of which arm is best for each patient. The new method is demonstrated via extensive simulation studies.

stat.AP↗

arXiv2017

Bayesian Repulsive Gaussian Mixture Model

We develop a general class of Bayesian repulsive Gaussian mixture models that encourage well-separated clusters, aiming at reducing potentially redundant components produced by independent priors for locations (such as the Dirichlet process). The asymptotic results for the posterior distribution of the proposed models are derived, including posterior consistency and posterior contraction rate in the context of nonparametric density estimation. More importantly, we show that compared to the independent prior on the component centers, the repulsive prior introduces additional shrinkage effect on the tail probability of the posterior number of components, which serves as a measurement of the model complexity. In addition, an efficient and easy-to-implement blocked-collapsed Gibbs sampler is developed based on the exchangeable partition distribution and the corresponding urn model. We evaluate the performance and demonstrate the advantages of the proposed model through extensive simulation studies and real data analysis. The R code is available at https://drive.google.com/open?id=0B_zFse0eqxBHZnF5cEhsUFk0cVE.

stat.ME↗