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Exact null distributions of goodness-of-fit test statistics are generally challenging to obtain in tractable forms. Practitioners are therefore usually obliged to rely on asymptotic null distributions or Monte Carlo methods, either in the form of a lookup table or carried out on demand, to apply a goodness-of-fit test. Stephens (1970) provided remarkable simple and useful transformations of several classic goodness-of-fit test statistics that stabilized their exact-$n$ critical values for varying sample sizes $n$. However, detail on the accuracy of these and subsequent transformations in yielding exact $p$-values, or even deep understanding on the derivation of several transformations, is still scarce nowadays. We illuminate and automatize, using modern tools, the latter stabilization approach to (i) expand its scope of applicability and (ii) yield semi-continuous exact $p$-values, as opposed to exact critical values for fixed significance levels. We show improvements on the stabilization accuracy of the exact null distributions of the Kolmogorov-Smirnov, Cram\'er-von Mises, Anderson-Darling, Kuiper, and Watson test statistics. In addition, we provide a parameter-dependent exact-$n$ stabilization for several novel statistics for testing uniformity on the hypersphere of arbitrary dimension. A data application in astronomy illustrates the benefits of the advocated stabilization for quickly analyzing small-to-moderate sequentially-measured samples.

Reinforcement learning (RL) and brain-computer interfaces (BCI) are two fields that have been growing over the past decade. Until recently, these fields have operated independently of one another. With the rising interest in human-in-the-loop (HITL) applications, RL algorithms have been adapted to account for human guidance giving rise to the sub-field of interactive reinforcement learning (IRL). Adjacently, BCI applications have been long interested in extracting intrinsic feedback from neural activity during human-computer interactions. These two ideas have set RL and BCI on a collision course for one another through the integration of BCI into the IRL framework where intrinsic feedback can be utilized to help train an agent. This intersection has been denoted as intrinsic IRL. To further help facilitate deeper ingratiation of BCI and IRL, we provide a review of intrinsic IRL with an emphasis on its parent field of feedback-driven IRL while also providing discussions concerning the validity, challenges, and future research directions.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

The notion of uncertainty is of major importance in machine learning and constitutes a key element of machine learning methodology. In line with the statistical tradition, uncertainty has long been perceived as almost synonymous with standard probability and probabilistic predictions. Yet, due to the steadily increasing relevance of machine learning for practical applications and related issues such as safety requirements, new problems and challenges have recently been identified by machine learning scholars, and these problems may call for new methodological developments. In particular, this includes the importance of distinguishing between (at least) two different types of uncertainty, often refereed to as aleatoric and epistemic. In this paper, we provide an introduction to the topic of uncertainty in machine learning as well as an overview of hitherto attempts at handling uncertainty in general and formalizing this distinction in particular.

Machine learning methods are powerful in distinguishing different phases of matter in an automated way and provide a new perspective on the study of physical phenomena. We train a Restricted Boltzmann Machine (RBM) on data constructed with spin configurations sampled from the Ising Hamiltonian at different values of temperature and external magnetic field using Monte Carlo methods. From the trained machine we obtain the flow of iterative reconstruction of spin state configurations to faithfully reproduce the observables of the physical system. We find that the flow of the trained RBM approaches the spin configurations of the maximal possible specific heat which resemble the near criticality region of the Ising model. In the special case of the vanishing magnetic field the trained RBM converges to the critical point of the Renormalization Group (RG) flow of the lattice model. Our results suggest an alternative explanation of how the machine identifies the physical phase transitions, by recognizing certain properties of the configuration like the maximization of the specific heat, instead of associating directly the recognition procedure with the RG flow and its fixed points. Then from the reconstructed data we deduce the critical exponent associated to the magnetization to find satisfactory agreement with the actual physical value. We assume no prior knowledge about the criticality of the system and its Hamiltonian.

The availability of large microarray data has led to a growing interest in biclustering methods in the past decade. Several algorithms have been proposed to identify subsets of genes and conditions according to different similarity measures and under varying constraints. In this paper we focus on the exclusive row biclustering problem for gene expression data sets, in which each row can only be a member of a single bicluster while columns can participate in multiple ones. This type of biclustering may be adequate, for example, for clustering groups of cancer patients where each patient (row) is expected to be carrying only a single type of cancer, while each cancer type is associated with multiple (and possibly overlapping) genes (columns). We present a novel method to identify these exclusive row biclusters through a combination of existing biclustering algorithms and combinatorial auction techniques. We devise an approach for tuning the threshold for our algorithm based on comparison to a null model in the spirit of the Gap statistic approach. We demonstrate our approach on both synthetic and real-world gene expression data and show its power in identifying large span non-overlapping rows sub matrices, while considering their unique nature. The Gap statistic approach succeeds in identifying appropriate thresholds in all our examples.

Clustering is an essential data mining tool that aims to discover inherent cluster structure in data. For most applications, applying clustering is only appropriate when cluster structure is present. As such, the study of clusterability, which evaluates whether data possesses such structure, is an integral part of cluster analysis. However, methods for evaluating clusterability vary radically, making it challenging to select a suitable measure. In this paper, we perform an extensive comparison of measures of clusterability and provide guidelines that clustering users can reference to select suitable measures for their applications.

This manuscript surveys reinforcement learning from the perspective of optimization and control with a focus on continuous control applications. It surveys the general formulation, terminology, and typical experimental implementations of reinforcement learning and reviews competing solution paradigms. In order to compare the relative merits of various techniques, this survey presents a case study of the Linear Quadratic Regulator (LQR) with unknown dynamics, perhaps the simplest and best studied problem in optimal control. The manuscript describes how merging techniques from learning theory and control can provide non-asymptotic characterizations of LQR performance and shows that these characterizations tend to match experimental behavior. In turn, when revisiting more complex applications, many of the observed phenomena in LQR persist. In particular, theory and experiment demonstrate the role and importance of models and the cost of generality in reinforcement learning algorithms. This survey concludes with a discussion of some of the challenges in designing learning systems that safely and reliably interact with complex and uncertain environments and how tools from reinforcement learning and controls might be combined to approach these challenges.

In NMT, words are sometimes dropped from the source or generated repeatedly in the translation. We explore novel strategies to address the coverage problem that change only the attention transformation. Our approach allocates fertilities to source words, used to bound the attention each word can receive. We experiment with various sparse and constrained attention transformations and propose a new one, constrained sparsemax, shown to be differentiable and sparse. Empirical evaluation is provided in three languages pairs.

This work considers the problem of provably optimal reinforcement learning for episodic finite horizon MDPs, i.e. how an agent learns to maximize his/her long term reward in an uncertain environment. The main contribution is in providing a novel algorithm --- Variance-reduced Upper Confidence Q-learning (vUCQ) --- which enjoys a regret bound of $\widetilde{O}(\sqrt{HSAT} + H^5SA)$, where the $T$ is the number of time steps the agent acts in the MDP, $S$ is the number of states, $A$ is the number of actions, and $H$ is the (episodic) horizon time. This is the first regret bound that is both sub-linear in the model size and asymptotically optimal. The algorithm is sub-linear in that the time to achieve $\epsilon$-average regret for any constant $\epsilon$ is $O(SA)$, which is a number of samples that is far less than that required to learn any non-trivial estimate of the transition model (the transition model is specified by $O(S^2A)$ parameters). The importance of sub-linear algorithms is largely the motivation for algorithms such as $Q$-learning and other "model free" approaches. vUCQ algorithm also enjoys minimax optimal regret in the long run, matching the $\Omega(\sqrt{HSAT})$ lower bound. Variance-reduced Upper Confidence Q-learning (vUCQ) is a successive refinement method in which the algorithm reduces the variance in $Q$-value estimates and couples this estimation scheme with an upper confidence based algorithm. Technically, the coupling of both of these techniques is what leads to the algorithm enjoying both the sub-linear regret property and the asymptotically optimal regret.