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Variational bagging: a robust approach for Bayesian uncertainty quantification

Fan, Shitao, Ohn, Ilsang, Dunson, David, Lin, Lizhen

arXiv.org Machine Learning

Variational Bayes methods are popular due to their computational efficiency and adaptability to diverse applications. In specifying the variational family, mean-field classes are commonly used, which enables efficient algorithms such as coordinate ascent variational inference (CAVI) but fails to capture parameter dependence and typically underestimates uncertainty. In this work, we introduce a variational bagging approach that integrates a bagging procedure with variational Bayes, resulting in a bagged variational posterior for improved inference. We establish strong theoretical guarantees, including posterior contraction rates for general models and a Bernstein-von Mises (BVM) type theorem that ensures valid uncertainty quantification. Notably, our results show that even when using a mean-field variational family, our approach can recover off-diagonal elements of the limiting covariance structure and provide proper uncertainty quantification. In addition, variational bagging is robust to model misspecification, with covariance structures matching those of the target covariance. We illustrate our variational bagging method in numerical studies through applications to parametric models, finite mixture models, deep neural networks, and variational autoencoders (VAEs).


LASER: A new method for locally adaptive nonparametric regression

Chatterjee, Sabyasachi, Goswami, Subhajit, Mukherjee, Soumendu Sundar

arXiv.org Machine Learning

In this article, we introduce \textsf{LASER} (Locally Adaptive Smoothing Estimator for Regression), a computationally efficient locally adaptive nonparametric regression method that performs variable bandwidth local polynomial regression. We prove that it adapts (near-)optimally to the local H\"{o}lder exponent of the underlying regression function \texttt{simultaneously} at all points in its domain. Furthermore, we show that there is a single ideal choice of a global tuning parameter under which the above mentioned local adaptivity holds. Despite the vast literature on nonparametric regression, instances of practicable methods with provable guarantees of such a strong notion of local adaptivity are rare. The proposed method achieves excellent performance across a broad range of numerical experiments in comparison to popular alternative locally adaptive methods.


Efficient Model Compression for Bayesian Neural Networks

Saha, Diptarka, Liu, Zihe, Liang, Feng

arXiv.org Machine Learning

Model Compression has drawn much attention within the deep learning community recently. Compressing a dense neural network offers many advantages including lower computation cost, deployability to devices of limited storage and memories, and resistance to adversarial attacks. This may be achieved via weight pruning or fully discarding certain input features. Here we demonstrate a novel strategy to emulate principles of Bayesian model selection in a deep learning setup. Given a fully connected Bayesian neural network with spike-and-slab priors trained via a variational algorithm, we obtain the posterior inclusion probability for every node that typically gets lost. We employ these probabilities for pruning and feature selection on a host of simulated and real-world benchmark data and find evidence of better generalizability of the pruned model in all our experiments.


Adaptive novelty detection with false discovery rate guarantee

Marandon, Ariane, Lei, Lihua, Mary, David, Roquain, Etienne

arXiv.org Machine Learning

This paper studies the semi-supervised novelty detection problem where a set of "typical" measurements is available to the researcher. Motivated by recent advances in multiple testing and conformal inference, we propose AdaDetect, a flexible method that is able to wrap around any probabilistic classification algorithm and control the false discovery rate (FDR) on detected novelties in finite samples without any distributional assumption other than exchangeability. In contrast to classical FDR-controlling procedures that are often committed to a pre-specified p-value function, AdaDetect learns the transformation in a data-adaptive manner to focus the power on the directions that distinguish between inliers and outliers. Inspired by the multiple testing literature, we further propose variants of AdaDetect that are adaptive to the proportion of nulls while maintaining the finite-sample FDR control. The methods are illustrated on synthetic datasets and real-world datasets, including an application in astrophysics.


Convergence of Dirichlet Forms for MCMC Optimal Scaling with Dependent Target Distributions on Large Graphs

Ning, Ning

arXiv.org Machine Learning

Markov chain Monte Carlo (MCMC) algorithms have played a significant role in statistics, physics, machine learning and others, and they are the only known general and efficient approach for some high-dimensional problems. The random walk Metropolis (RWM) algorithm as the most classical MCMC algorithm, has had a great influence on the development and practice of science and engineering. The behavior of the RWM algorithm in high-dimensional problems is typically investigated through a weak convergence result of diffusion processes. In this paper, we utilize the Mosco convergence of Dirichlet forms in analyzing the RWM algorithm on large graphs, whose target distribution is the Gibbs measure that includes any probability measure satisfying a Markov property. The abstract and powerful theory of Dirichlet forms allows us to work directly and naturally on the infinite-dimensional space, and our notion of Mosco convergence allows Dirichlet forms associated with the RWM chains to lie on changing Hilbert spaces. Through the optimal scaling problem, we demonstrate the impressive strengths of the Dirichlet form approach over the standard diffusion approach.


Spatially Adaptive Online Prediction of Piecewise Regular Functions

Chatterjee, Sabyasachi, Goswami, Subhajit

arXiv.org Machine Learning

We consider the problem of estimating piecewise regular functions in an online setting, i.e., the data arrive sequentially and at any round our task is to predict the value of the true function at the next revealed point using the available data from past predictions. We propose a suitably modified version of a recently developed online learning algorithm called the sleeping experts aggregation algorithm. We show that this estimator satisfies oracle risk bounds simultaneously for all local regions of the domain. As concrete instantiations of the expert aggregation algorithm proposed here, we study an online mean aggregation and an online linear regression aggregation algorithm where experts correspond to the set of dyadic subrectangles of the domain. The resulting algorithms are near linear time computable in the sample size. We specifically focus on the performance of these online algorithms in the context of estimating piecewise polynomial and bounded variation function classes in the fixed design setup. The simultaneous oracle risk bounds we obtain for these estimators in this context provide new and improved (in certain aspects) guarantees even in the batch setting and are not available for the state of the art batch learning estimators.


Iterated Block Particle Filter for High-dimensional Parameter Learning: Beating the Curse of Dimensionality

Ning, Ning, Ionides, Edward L.

arXiv.org Machine Learning

Parameter learning for high-dimensional, partially observed, and nonlinear stochastic processes is a methodological challenge. Spatiotemporal disease transmission systems provide examples of such processes giving rise to open inference problems. We propose the iterated block particle filter (IBPF) algorithm for learning high-dimensional parameters over graphical state space models with general state spaces, measures, transition densities and graph structure. Theoretical performance guarantees are obtained on beating the curse of dimensionality (COD), algorithm convergence, and likelihood maximization. Experiments on a highly nonlinear and non-Gaussian spatiotemporal model for measles transmission reveal that the iterated ensemble Kalman filter algorithm (Li et al. (2020)) is ineffective and the iterated filtering algorithm (Ionides et al. (2015)) suffers from the COD, while our IBPF algorithm beats COD consistently across various experiments with different metrics.


Concentration bounds for the empirical angular measure with statistical learning applications

Clémençon, Stéphan, Jalalzai, Hamid, Sabourin, Anne, Segers, Johan

arXiv.org Machine Learning

The angular measure on the unit sphere characterizes the first-order dependence structure of the components of a random vector in extreme regions and is defined in terms of standardized margins. Its statistical recovery is an important step in learning problems involving observations far away from the center. In the common situation when the components of the vector have different distributions, the rank transformation offers a convenient and robust way of standardizing data in order to build an empirical version of the angular measure based on the most extreme observations. However, the study of the sampling distribution of the resulting empirical angular measure is challenging. It is the purpose of the paper to establish finite-sample bounds for the maximal deviations between the empirical and true angular measures, uniformly over classes of Borel sets of controlled combinatorial complexity. The bounds are valid with high probability and scale essentially as the square root of the effective sample size, up to a logarithmic factor. Discarding the most extreme observations yields a truncated version of the empirical angular measure for which the logarithmic factor in the concentration bound is replaced by a factor depending on the truncation level. The bounds are applied to provide performance guarantees for two statistical learning procedures tailored to extreme regions of the input space and built upon the empirical angular measure: binary classification in extreme regions through empirical risk minimization and unsupervised anomaly detection through minimum-volume sets of the sphere.


Conditions and Assumptions for Constraint-based Causal Structure Learning

Sadeghi, Kayvan, Soo, Terry

arXiv.org Machine Learning

The paper formalizes constraint-based structure learning of the "true" causal graph from observed data when unobserved variables are also existent. We define a "generic" structure learning algorithm, which provides conditions that, under the faithfulness assumption, the output of all known exact algorithms in the literature must satisfy, and which outputs graphs that are Markov equivalent to the causal graph. More importantly, we provide clear assumptions, weaker than faithfulness, under which the same generic algorithm outputs Markov equivalent graphs to the causal graph. We provide the theory for the general class of models under the assumption that the distribution is Markovian to the true causal graph, and we specialize the definitions and results for structural causal models.


Rejoinder: On nearly assumption-free tests of nominal confidence interval coverage for causal parameters estimated by machine learning

Liu, Lin, Mukherjee, Rajarshi, Robins, James M.

arXiv.org Machine Learning

This is the rejoinder to the discussion by Kennedy, Balakrishnan and Wasserman on the paper "On nearly assumption-free tests of nominal confidence interval coverage for causal parameters estimated by machine learning" published in Statistical Science.