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Explainable Artificial Intelligence (XAI) has received widespread interest in recent years, and two of the most popular types of explanations are feature attributions, and counterfactual explanations. These classes of approaches have been largely studied independently and the few attempts at reconciling them have been primarily empirical. This work establishes a clear theoretical connection between game-theoretic feature attributions, focusing on but not limited to SHAP, and counterfactuals explanations. After motivating operative changes to Shapley values based feature attributions and counterfactual explanations, we prove that, under conditions, they are in fact equivalent. We then extend the equivalency result to game-theoretic solution concepts beyond Shapley values. Moreover, through the analysis of the conditions of such equivalence, we shed light on the limitations of naively using counterfactual explanations to provide feature importances. Experiments on three datasets quantitatively show the difference in explanations at every stage of the connection between the two approaches and corroborate the theoretical findings.

Feature learning, i.e. extracting meaningful representations of data, is quintessential to the practical success of neural networks trained with gradient descent, yet it is notoriously difficult to explain how and why it occurs. Recent theoretical studies have shown that shallow neural networks optimized on a single task with gradient-based methods can learn meaningful features, extending our understanding beyond the neural tangent kernel or random feature regime in which negligible feature learning occurs. But in practice, neural networks are increasingly often trained on {\em many} tasks simultaneously with differing loss functions, and these prior analyses do not generalize to such settings. In the multi-task learning setting, a variety of studies have shown effective feature learning by simple linear models. However, multi-task learning via {\em nonlinear} models, arguably the most common learning paradigm in practice, remains largely mysterious. In this work, we present the first results proving feature learning occurs in a multi-task setting with a nonlinear model. We show that when the tasks are binary classification problems with labels depending on only $r$ directions within the ambient $d\gg r$-dimensional input space, executing a simple gradient-based multitask learning algorithm on a two-layer ReLU neural network learns the ground-truth $r$ directions. In particular, any downstream task on the $r$ ground-truth coordinates can be solved by learning a linear classifier with sample and neuron complexity independent of the ambient dimension $d$, while a random feature model requires exponential complexity in $d$ for such a guarantee.

Analysis of high-dimensional data, where the number of covariates is larger than the sample size, is a topic of current interest. In such settings, an important goal is to estimate the signal level $\tau^2$ and noise level $\sigma^2$, i.e., to quantify how much variation in the response variable can be explained by the covariates, versus how much of the variation is left unexplained. This thesis considers the estimation of these quantities in a semi-supervised setting, where for many observations only the vector of covariates $X$ is given with no responses $Y$. Our main research question is: how can one use the unlabeled data to better estimate $\tau^2$ and $\sigma^2$? We consider two frameworks: a linear regression model and a linear projection model in which linearity is not assumed. In the first framework, while linear regression is used, no sparsity assumptions on the coefficients are made. In the second framework, the linearity assumption is also relaxed and we aim to estimate the signal and noise levels defined by the linear projection. We first propose a naive estimator which is unbiased and consistent, under some assumptions, in both frameworks. We then show how the naive estimator can be improved by using zero-estimators, where a zero-estimator is a statistic arising from the unlabeled data, whose expected value is zero. In the first framework, we calculate the optimal zero-estimator improvement and discuss ways to approximate the optimal improvement. In the second framework, such optimality does no longer hold and we suggest two zero-estimators that improve the naive estimator although not necessarily optimally. Furthermore, we show that our approach reduces the variance for general initial estimators and we present an algorithm that potentially improves any initial estimator. Lastly, we consider four datasets and study the performance of our suggested methods.

Given a set of squares and a strip of bounded width and infinite height, we consider a square strip packaging problem, which we call the square independent packing problem (SIPP), to minimize the strip height so that all the squares are packed into independent cells separated by horizontal and vertical partitions. For the SIPP, we first investigate efficient solution representations and propose a compact representation that reduces the search space from $\Omega(n!)$ to $O(2^n)$, with $n$ the number of given squares, while guaranteeing that there exists a solution representation that corresponds to an optimal solution. Based on the solution representation, we show that the problem is NP-hard, and then we propose a fully polynomial-time approximation scheme (FPTAS) to solve it. We also propose three mathematical programming formulations based on different solution representations and confirm the performance of these algorithms through computational experiments. Finally, we discuss several extensions that are relevant to practical applications.

We compare two different linear dimensionality reduction strategies for the multigroup classification problem: the trace ratio method and Fisher's discriminant analysis. Recently, trace ratio optimization has gained in popularity due to its computational efficiency, as well as the occasionally better classification results. However, a statistical understanding is still incomplete. We study and compare the properties of the two methods. Then, we propose a robust version of the trace ratio method, to handle the presence of outliers in the data. We reinterpret an asymptotic perturbation bound for the solution to the trace ratio, in a contamination setting. Finally, we compare the performance of the trace ratio method and Fisher's discriminant analysis on both synthetic and real datasets, using classical and robust estimators.

Many real-world optimization problems contain unknown parameters that must be predicted prior to solving. To train the predictive machine learning (ML) models involved, the commonly adopted approach focuses on maximizing predictive accuracy. However, this approach does not always lead to the minimization of the downstream task loss. Decision-focused learning (DFL) is a recently proposed paradigm whose goal is to train the ML model by directly minimizing the task loss. However, state-of-the-art DFL methods are limited by the assumptions they make about the structure of the optimization problem (e.g., that the problem is linear) and by the fact that can only predict parameters that appear in the objective function. In this work, we address these limitations by instead predicting \textit{distributions} over parameters and adopting score function gradient estimation (SFGE) to compute decision-focused updates to the predictive model, thereby widening the applicability of DFL. Our experiments show that by using SFGE we can: (1) deal with predictions that occur both in the objective function and in the constraints; and (2) effectively tackle two-stage stochastic optimization problems.

Correlation matrices are an essential tool for investigating the dependency structures of random vectors or comparing them. We introduce an approach for testing a variety of null hypotheses that can be formulated based upon the correlation matrix. Examples cover MANOVA-type hypothesis of equal correlation matrices as well as testing for special correlation structures such as, e.g., sphericity. Apart from existing fourth moments, our approach requires no other assumptions, allowing applications in various settings. To improve the small sample performance, a bootstrap technique is proposed and theoretically justified. Based on this, we also present a procedure to simultaneously test the hypotheses of equal correlation and equal covariance matrices. The performance of all new test statistics is compared with existing procedures through extensive simulations.

We consider the problem of latent bandits with cluster structure where there are multiple users, each with an associated multi-armed bandit problem. These users are grouped into \emph{latent} clusters such that the mean reward vectors of users within the same cluster are identical. At each round, a user, selected uniformly at random, pulls an arm and observes a corresponding noisy reward. The goal of the users is to maximize their cumulative rewards. This problem is central to practical recommendation systems and has received wide attention of late \cite{gentile2014online, maillard2014latent}. Now, if each user acts independently, then they would have to explore each arm independently and a regret of $\Omega(\sqrt{\mathsf{MNT}})$ is unavoidable, where $\mathsf{M}, \mathsf{N}$ are the number of arms and users, respectively. Instead, we propose LATTICE (Latent bAndiTs via maTrIx ComplEtion) which allows exploitation of the latent cluster structure to provide the minimax optimal regret of $\widetilde{O}(\sqrt{(\mathsf{M}+\mathsf{N})\mathsf{T}})$, when the number of clusters is $\widetilde{O}(1)$. This is the first algorithm to guarantee such strong regret bound. LATTICE is based on a careful exploitation of arm information within a cluster while simultaneously clustering users. Furthermore, it is computationally efficient and requires only $O(\log{\mathsf{T}})$ calls to an offline matrix completion oracle across all $\mathsf{T}$ rounds.

We consider the problem of Imitation Learning (IL) by actively querying noisy expert for feedback. While imitation learning has been empirically successful, much of prior work assumes access to noiseless expert feedback which is not practical in many applications. In fact, when one only has access to noisy expert feedback, algorithms that rely on purely offline data (non-interactive IL) can be shown to need a prohibitively large number of samples to be successful. In contrast, in this work, we provide an interactive algorithm for IL that uses selective sampling to actively query the noisy expert for feedback. Our contributions are twofold: First, we provide a new selective sampling algorithm that works with general function classes and multiple actions, and obtains the best-known bounds for the regret and the number of queries. Next, we extend this analysis to the problem of IL with noisy expert feedback and provide a new IL algorithm that makes limited queries. Our algorithm for selective sampling leverages function approximation, and relies on an online regression oracle w.r.t.~the given model class to predict actions, and to decide whether to query the expert for its label. On the theoretical side, the regret bound of our algorithm is upper bounded by the regret of the online regression oracle, while the query complexity additionally depends on the eluder dimension of the model class. We complement this with a lower bound that demonstrates that our results are tight. We extend our selective sampling algorithm for IL with general function approximation and provide bounds on both the regret and the number of queries made to the noisy expert. A key novelty here is that our regret and query complexity bounds only depend on the number of times the optimal policy (and not the noisy expert, or the learner) go to states that have a small margin.

With the advances of data-driven machine learning research, a wide variety of prediction problems have been tackled. It has become critical to explore how machine learning and specifically deep learning methods can be exploited to analyse healthcare data. A major limitation of existing methods has been the focus on grid-like data; however, the structure of physiological recordings are often irregular and unordered which makes it difficult to conceptualise them as a matrix. As such, graph neural networks have attracted significant attention by exploiting implicit information that resides in a biological system, with interactive nodes connected by edges whose weights can be either temporal associations or anatomical junctions. In this survey, we thoroughly review the different types of graph architectures and their applications in healthcare. We provide an overview of these methods in a systematic manner, organized by their domain of application including functional connectivity, anatomical structure and electrical-based analysis. We also outline the limitations of existing techniques and discuss potential directions for future research.