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Sampling and Variational Inference (VI) are two large families of methods for approximate inference with complementary strengths. Sampling methods excel at approximating arbitrary probability distributions, but can be inefficient. VI methods are efficient, but can fail when probability distributions are complex. Here, we develop a framework for constructing intermediate algorithms that balance the strengths of both sampling and VI. Both approximate a probability distribution using a mixture of simple component distributions: in sampling, each component is a delta-function and is chosen stochastically, while in standard VI a single component is chosen to minimize divergence. We show that sampling and VI emerge as special cases of an optimization problem over a mixing distribution, and intermediate approximations arise by varying a single parameter. We then derive closed-form sampling dynamics over variational parameters that stochastically build a mixture. Finally, we discuss how to select the optimal compromise between sampling and VI given a computational budget. This work is a first step towards a highly flexible yet simple family of inference methods that combines the complementary strengths of sampling and VI.

This dissertation studies a fundamental open challenge in deep learning theory: why do deep networks generalize well even while being overparameterized, unregularized and fitting the training data to zero error? In the first part of the thesis, we will empirically study how training deep networks via stochastic gradient descent implicitly controls the networks' capacity. Subsequently, to show how this leads to better generalization, we will derive {\em data-dependent} {\em uniform-convergence-based} generalization bounds with improved dependencies on the parameter count. Uniform convergence has in fact been the most widely used tool in deep learning literature, thanks to its simplicity and generality. Given its popularity, in this thesis, we will also take a step back to identify the fundamental limits of uniform convergence as a tool to explain generalization. In particular, we will show that in some example overparameterized settings, {\em any} uniform convergence bound will provide only a vacuous generalization bound. With this realization in mind, in the last part of the thesis, we will change course and introduce an {\em empirical} technique to estimate generalization using unlabeled data. Our technique does not rely on any notion of uniform-convergece-based complexity and is remarkably precise. We will theoretically show why our technique enjoys such precision. We will conclude by discussing how future work could explore novel ways to incorporate distributional assumptions in generalization bounds (such as in the form of unlabeled data) and explore other tools to derive bounds, perhaps by modifying uniform convergence or by developing completely new tools altogether.

We present a new algorithmic framework for grouped variable selection that is based on discrete mathematical optimization. While there exist several appealing approaches based on convex relaxations and nonconvex heuristics, we focus on optimal solutions for the $\ell_0$-regularized formulation, a problem that is relatively unexplored due to computational challenges. Our methodology covers both high-dimensional linear regression and nonparametric sparse additive modeling with smooth components. Our algorithmic framework consists of approximate and exact algorithms. The approximate algorithms are based on coordinate descent and local search, with runtimes comparable to popular sparse learning algorithms. Our exact algorithm is based on a standalone branch-and-bound (BnB) framework, which can solve the associated mixed integer programming (MIP) problem to certified optimality. By exploiting the problem structure, our custom BnB algorithm can solve to optimality problem instances with $5 \times 10^6$ features and $10^3$ observations in minutes to hours -- over $1000$ times larger than what is currently possible using state-of-the-art commercial MIP solvers. We also explore statistical properties of the $\ell_0$-based estimators. We demonstrate, theoretically and empirically, that our proposed estimators have an edge over popular group-sparse estimators in terms of statistical performance in various regimes. We provide an open-source implementation of our proposed framework.

In this paper, we are interested in nonparametric kernel estimation of a generalized regression function, including conditional cumulative distribution and conditional quantile functions, based on an incomplete sample $(X_t, Y_t, \zeta_t)_{t\in \mathbb{ R}^+}$ copies of a continuous-time stationary ergodic process $(X, Y, \zeta)$. The predictor $X$ is valued in some infinite-dimensional space, whereas the real-valued process $Y$ is observed when $\zeta= 1$ and missing whenever $\zeta = 0$. Pointwise and uniform consistency (with rates) of these estimators as well as a central limit theorem are established. Conditional bias and asymptotic quadratic error are also provided. Asymptotic and bootstrap-based confidence intervals for the generalized regression function are also discussed. A first simulation study is performed to compare the discrete-time to the continuous-time estimations. A second simulation is also conducted to discuss the selection of the optimal sampling mesh in the continuous-time case. Finally, it is worth noting that our results are stated under ergodic assumption without assuming any classical mixing conditions.

Thanks to their ability to capture complex dependence structures, copulas are frequently used to glue random variables into a joint model with arbitrary marginal distributions. More recently, they have been applied to solve statistical learning problems such as regression or classification. Framing such approaches as solutions of estimating equations, we generalize them in a unified framework. We can then obtain simultaneous, coherent inferences across multiple regression-like problems. We derive consistency, asymptotic normality, and validity of the bootstrap for corresponding estimators. The conditions allow for both continuous and discrete data as well as parametric, nonparametric, and semiparametric estimators of the copula and marginal distributions. The versatility of this methodology is illustrated by several theoretical examples, a simulation study, and an application to financial portfolio allocation.

Implicit Processes (IPs) are flexible priors that can describe models such as Bayesian neural networks, neural samplers and data generators. IPs allow for approximate inference in function-space. This avoids some degenerate problems of parameter-space approximate inference due to the high number of parameters and strong dependencies. For this, an extra IP is often used to approximate the posterior of the prior IP. However, simultaneously adjusting the parameters of the prior IP and the approximate posterior IP is a challenging task. Existing methods that can tune the prior IP result in a Gaussian predictive distribution, which fails to capture important data patterns. By contrast, methods producing flexible predictive distributions by using another IP to approximate the posterior process cannot fit the prior IP to the observed data. We propose here a method that can carry out both tasks. For this, we rely on an inducing-point representation of the prior IP, as often done in the context of sparse Gaussian processes. The result is a scalable method for approximate inference with IPs that can tune the prior IP parameters to the data, and that provides accurate non-Gaussian predictive distributions.

The nature of the Fermi gamma-ray Galactic Center Excess (GCE) has remained a persistent mystery for over a decade. Although the excess is broadly compatible with emission expected due to dark matter annihilation, an explanation in terms of a population of unresolved astrophysical point sources e.g., millisecond pulsars, remains viable. The effort to uncover the origin of the GCE is hampered in particular by an incomplete understanding of diffuse emission of Galactic origin. This can lead to spurious features that make it difficult to robustly differentiate smooth emission, as expected for a dark matter origin, from more "clumpy" emission expected for a population of relatively bright, unresolved point sources. We use recent advancements in the field of simulation-based inference, in particular density estimation techniques using normalizing flows, in order to characterize the contribution of modeled components, including unresolved point source populations, to the GCE. Compared to traditional techniques based on the statistical distribution of photon counts, our machine learning-based method is able to utilize more of the information contained in a given model of the Galactic Center emission, and in particular can perform posterior parameter estimation while accounting for pixel-to-pixel spatial correlations in the gamma-ray map. This makes the method demonstrably more resilient to certain forms of model misspecification. On application to Fermi data, the method generically attributes a smaller fraction of the GCE flux to unresolved point sources when compared to traditional approaches. We nevertheless infer such a contribution to make up a non-negligible fraction of the GCE across all analysis variations considered, with at least $38^{+9}_{-19}\%$ of the excess attributed to unresolved points sources in our baseline analysis.

We investigate the asymptotic distribution of the maximum of a frequency smoothed estimate of the spectral coherence of a M-variate complex Gaussian time series with mutually independent components when the dimension M and the number of samples N both converge to infinity. If B denotes the smoothing span of the underlying smoothed periodogram estimator, a type I extreme value limiting distribution is obtained under the rate assumptions M N $\rightarrow$ 0 and M B $\rightarrow$ c $\in$ (0, +$\infty$). This result is then exploited to build a statistic with controlled asymptotic level for testing independence between the M components of the observed time series. Numerical simulations support our results.

Influence maximization is the task of selecting a small number of seed nodes in a social network to maximize the spread of the influence from these seeds, and it has been widely investigated in the past two decades. In the canonical setting, the whole social network as well as its diffusion parameters is given as input. In this paper, we consider the more realistic sampling setting where the network is unknown and we only have a set of passively observed cascades that record the set of activated nodes at each diffusion step. We study the task of influence maximization from these cascade samples (IMS), and present constant approximation algorithms for this task under mild conditions on the seed set distribution. To achieve the optimization goal, we also provide a novel solution to the network inference problem, that is, learning diffusion parameters and the network structure from the cascade data. Comparing with prior solutions, our network inference algorithm requires weaker assumptions and does not rely on maximum-likelihood estimation and convex programming. Our IMS algorithms enhance the learning-and-then-optimization approach by allowing a constant approximation ratio even when the diffusion parameters are hard to learn, and we do not need any assumption related to the network structure or diffusion parameters.

Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space, such as the simplex, the time-discretisation error can dominate when we are near the boundary of the space. We demonstrate that while current SGMCMC methods for the simplex perform well in certain cases, they struggle with sparse simplex spaces; when many of the components are close to zero. However, most popular large-scale applications of Bayesian inference on simplex spaces, such as network or topic models, are sparse. We argue that this poor performance is due to the biases of SGMCMC caused by the discretization error. To get around this, we propose the stochastic CIR process, which removes all discretization error and we prove that samples from the stochastic CIR process are asymptotically unbiased. Use of the stochastic CIR process within a SGMCMC algorithm is shown to give substantially better performance for a topic model and a Dirichlet process mixture model than existing SGMCMC approaches.