Bayesian Networks (BNs) represent conditional probability relations among a set of random variables (nodes) in the form of a directed acyclic graph (DAG), and have found diverse applications in knowledge discovery. We study the problem of learning the sparse DAG structure of a BN from continuous observational data. The central problem can be modeled as a mixed-integer program with an objective function composed of a convex quadratic loss function and a regularization penalty subject to linear constraints. The optimal solution to this mathematical program is known to have desirable statistical properties under certain conditions. However, the state-of-the-art optimization solvers are not able to obtain provably optimal solutions to the existing mathematical formulations for medium-size problems within reasonable computational times. To address this difficulty, we tackle the problem from both computational and statistical perspectives. On the one hand, we propose a concrete early stopping criterion to terminate the branch-and-bound process in order to obtain a near-optimal solution to the mixed-integer program, and establish the consistency of this approximate solution. On the other hand, we improve the existing formulations by replacing the linear "big-$M$" constraints that represent the relationship between the continuous and binary indicator variables with second-order conic constraints. Our numerical results demonstrate the effectiveness of the proposed approaches.

We conduct a thorough analysis of the relationship between the out-of-sample performance and the Bayesian evidence (marginal likelihood) of Bayesian neural networks (BNNs), as well as looking at the performance of ensembles of BNNs, both using the Boston housing dataset. Using the state-of-the-art in nested sampling, we numerically sample the full (non-Gaussian and multimodal) network posterior and obtain numerical estimates of the Bayesian evidence, considering network models with up to 156 trainable parameters. The networks have between zero and four hidden layers, either $\tanh$ or $ReLU$ activation functions, and with and without hierarchical priors. The ensembles of BNNs are obtained by determining the posterior distribution over networks, from the posterior samples of individual BNNs re-weighted by the associated Bayesian evidence values. There is good correlation between out-of-sample performance and evidence, as well as a remarkable symmetry between the evidence versus model size and out-of-sample performance versus model size planes. Networks with $ReLU$ activation functions have consistently higher evidences than those with $\tanh$ functions, and this is reflected in their out-of-sample performance. Ensembling over architectures acts to further improve performance relative to the individual BNNs.

The multinomial and related distributions have long been used to model categorical, count-based data in fields ranging from bioinformatics to natural language processing. Commonly utilized variants include the standard multinomial and the Dirichlet multinomial distributions due to their computational efficiency and straightforward parameter estimation process. However, these distributions make strict assumptions about the mean, variance, and covariance between the categorical features being modeled. If these assumptions are not met by the data, it may result in poor parameter estimates and loss in accuracy for downstream applications like classification. Here, we explore efficient parameter estimation and supervised classification methods using an alternative distribution, called the Beta-Liouville multinomial, which relaxes some of the multinomial assumptions. We show that the Beta-Liouville multinomial is comparable in efficiency to the Dirichlet multinomial for Newton-Raphson maximum likelihood estimation, and that its performance on simulated data matches or exceeds that of the multinomial and Dirichlet multinomial distributions. Finally, we demonstrate that the Beta-Liouville multinomial outperforms the multinomial and Dirichlet multinomial on two out of four gold standard datasets, supporting its use in modeling data with low to medium class overlap in a supervised classification context.

Robust methods, though ubiquitous in practice, are yet to be fully understood in the context of regularized estimation and high dimensions. Even simple questions become challenging very quickly. For example, classical statistical theory identifies equivalence between model-averaged and composite quantile estimation. However, little to nothing is known about such equivalence between methods that encourage sparsity. This paper provides a toolbox to further study robustness in these settings and focuses on prediction. In particular, we study optimally weighted model-averaged as well as composite $l_1$-regularized estimation. Optimal weights are determined by minimizing the asymptotic mean squared error. This approach incorporates the effects of regularization, without the assumption of perfect selection, as is often used in practice. Such weights are then optimal for prediction quality. Through an extensive simulation study, we show that no single method systematically outperforms others. We find, however, that model-averaged and composite quantile estimators often outperform least-squares methods, even in the case of Gaussian model noise. Real data application witnesses the method's practical use through the reconstruction of compressed audio signals.

Predictive models -- learned from observational data not covering the complete data distribution -- can rely on spurious correlations in the data for making predictions. These correlations make the models brittle and hinder generalization. One solution for achieving strong generalization is to incorporate causal structures in the models; such structures constrain learning by ignoring correlations that contradict them. However, learning these structures is a hard problem in itself. Moreover, it's not clear how to incorporate the machinery of causality with online continual learning. In this work, we take an indirect approach to discovering causal models. Instead of searching for the true causal model directly, we propose an online algorithm that continually detects and removes spurious features. Our algorithm works on the idea that the correlation of a spurious feature with a target is not constant over-time. As a result, the weight associated with that feature is constantly changing. We show that by continually removing such features, our method converges to solutions that have strong generalization. Moreover, our method combined with random search can also discover non-spurious features from raw sensory data. Finally, our work highlights that the information present in the temporal structure of the problem -- destroyed by shuffling the data -- is essential for detecting spurious features online.

A problem of learning decision policy from past experience is considered. Using the Fully Probabilistic Design (FPD) formalism, we propose a new general approach for finding a stochastic policy from the past data.

Learning from label proportions (LLP) is a weakly supervised setting for classification in which unlabeled training instances are grouped into bags, and each bag is annotated with the proportion of each class occurring in that bag. Prior work on LLP has yet to establish a consistent learning procedure, nor does there exist a theoretically justified, general purpose training criterion. In this work we address these two issues by posing LLP in terms of mutual contamination models (MCMs), which have recently been applied successfully to study various other weak supervision settings. In the process, we establish several novel technical results for MCMs, including unbiased losses and generalization error bounds under non-iid sampling plans. We also point out the limitations of a common experimental setting for LLP, and propose a new one based on our MCM framework.

Targeted Learning is a subfield of statistics that unifies advances in causal inference, machine learning and statistical theory to help answer scientifically impactful questions with statistical confidence. Targeted Learning is driven by complex problems in data science and has been implemented in a diversity of real-world scenarios: observational studies with missing treatments and outcomes, personalized interventions, longitudinal settings with time-varying treatment regimes, survival analysis, adaptive randomized trials, mediation analysis, and networks of connected subjects. In contrast to the (mis)application of restrictive modeling strategies that dominate the current practice of statistics, Targeted Learning establishes a principled standard for statistical estimation and inference (i.e., confidence intervals and p-values). This multiply robust approach is accompanied by a guiding roadmap and a burgeoning software ecosystem, both of which provide guidance on the construction of estimators optimized to best answer the motivating question. The roadmap of Targeted Learning emphasizes tailoring statistical procedures so as to minimize their assumptions, carefully grounding them only in the scientific knowledge available. The end result is a framework that honestly reflects the uncertainty in both the background knowledge and the available data in order to draw reliable conclusions from statistical analyses -- ultimately enhancing the reproducibility and rigor of scientific findings.

This paper develops a novel two-layer hierarchical classifier that increases the accuracy of traditional transportation mode classification algorithms. This paper also enhances classification accuracy by extracting new frequency domain features. Many researchers have obtained these features from global positioning system data; however, this data was excluded in this paper, as the system use might deplete the smartphone's battery and signals may be lost in some areas. Our proposed two-layer framework differs from previous classification attempts in three distinct ways: 1) the outputs of the two layers are combined using Bayes' rule to choose the transportation mode with the largest posterior probability; 2) the proposed framework combines the new extracted features with traditionally used time domain features to create a pool of features; and 3) a different subset of extracted features is used in each layer based on the classified modes. Several machine learning techniques were used, including k-nearest neighbor, classification and regression tree, support vector machine, random forest, and a heterogeneous framework of random forest and support vector machine. Results show that the classification accuracy of the proposed framework outperforms traditional approaches. Transforming the time domain features to the frequency domain also adds new features in a new space and provides more control on the loss of information. Consequently, combining the time domain and the frequency domain features in a large pool and then choosing the best subset results in higher accuracy than using either domain alone. The proposed two-layer classifier obtained a maximum classification accuracy of 97.02%.

We present a new approach for sampling conditional measures that enables uncertainty quantification in supervised learning tasks. We construct a mapping that transforms a reference measure to the probability measure of the output conditioned on new inputs. The mapping is trained via a modification of generative adversarial networks (GANs), called monotone GANs, that imposes monotonicity constraints and a block triangular structure. We present theoretical results, in an idealized setting, that support our proposed method as well as numerical experiments demonstrating the ability of our method to sample the correct conditional measures in applications ranging from inverse problems to image in-painting.