In many classification settings, the class of primary interest is underrepresented, leading to imbalanced data problems that arise in applications such as rare disease detection and fraud identification. In these contexts, identifying a potential positive instance typically triggers costly follow-up actions, such as medical imaging or detailed transaction inspection, which are subject to limited operational capacity. Motivated by this setting, we consider classification problems where data may arrive sequentially and decisions must be made under constraints on the number of instances that can be selected for further analysis. We propose a classification framework that explicitly controls the rate of positive predictions, enforcing a user-defined bound on the proportion of observations classified as belonging to the minority class while maximizing detection performance. The approach can be implemented using standard learning methods and naturally extends to online settings, where decisions are taken in real time. We show that incorporating capacity constraints leads to substantial improvements over classical approaches, including resampling techniques such as SMOTE, which do not directly control the selection rate.

Contextual MDPs are powerful tools with wide applicability in areas from biostatistics to machine learning. However, specializing them to offline datasets has been challenging due to a lack of robust, theoretically backed methods. Our work tackles this problem by introducing a new approach towards adaptive estimation and cost optimization of contextual MDPs. This estimator, to the best of our knowledge, is the first of its kind, and is endowed with strong optimality guarantees. We achieve this by overcoming the key technical challenges evolving from the endogenous properties of contextual MDPs; such as non-stationarity, or model irregularity. Our guarantees are established under complete generality by utilizing the relatively recent and powerful statistical technique of $T$-estimation (Baraud, 2011). We first provide a procedure for selecting an estimator given a sample from a contextual MDP and use it to derive oracle risk bounds under two distinct, but nevertheless meaningful, loss functions. We then consider the problem of determining the optimal control with the aid of the aforementioned density estimate and provide finite sample guarantees for the cost function.

The goal of this thesis is to investigate the structural properties of certain sequential problems in order to bring the solutions closer to a practical use. In the first part, we put a special emphasis on structures that can be represented as graphs on actions. In the second part, we study the large action spaces that can be of exponential size in the number of base actions or even infinite. For graph bandits, we consider the settings of smoothness of rewards (spectral bandits), side observations, and influence maximization. For large structured domains, we cover kernel bandits, polymatroid bandits, bandits for function optimization (including unknown smoothness), and infinitely many-arms bandits. The thesis aspires to be a survey of the author's contributions on graph and structured bandits.

We develop graph-based methods for semi-supervised learning based on label propagation on a data similarity graph. When data is abundant or arrive in a stream, the problems of computation and data storage arise for any graph-based method. We propose a fast approximate online algorithm that solves for the harmonic solution on an approximate graph. We show, both empirically and theoretically, that good behavior can be achieved by collapsing nearby points into a set of local representative points that minimize distortion. Moreover, we regularize the harmonic solution to achieve better stability properties. We also present graph-based methods for detecting conditional anomalies and apply them to the identification of unusual clinical actions in hospitals. Our hypothesis is that patient-management actions that are unusual with respect to the past patients may be due to errors and that it is worthwhile to raise an alert if such a condition is encountered. Conditional anomaly detection extends standard unconditional anomaly framework but also faces new problems known as fringe and isolated points. We devise novel nonparametric graph-based methods to tackle these problems. Our methods rely on graph connectivity analysis and soft harmonic solution. Finally, we conduct an extensive human evaluation study of our conditional anomaly methods by 15 experts in critical care.

We consider function optimization as a sequential decision making problem under budget constraint. This constraint limits the number of objective function evaluations allowed during the optimization. We consider an algorithm inspired by a continuous version of a multi-armed bandit problem which attacks this optimization problem by solving the tradeoff between exploration (initial quasi-uniform search of the domain) and exploitation (local optimization around the potentially global maxima). We introduce the so-called Simultaneous Optimistic Optimization (SOO), a deterministic algorithm that works by domain partitioning. The benefit of such approach are the guarantees on the returned solution and the numerical efficiency of the algorithm. We present this machine learning approach to optimization, and provide the empirical assessment of SOO on the CEC'2014 competition on single objective real-parameter numerical optimization test-suite.

We study expected generalization bounds for the Hierarchical Federated Learning (HFL) setup using Wasserstein distance. We introduce a generalized framework in which data is sampled hierarchically, and we model it with a multi-layered tree structure that induces dependencies among the clients' datasets. We derive generalization bounds in terms of Wasserstein distance under the Lipschitz assumption on the loss function, by applying a supersample construction that allows us to measure the sensitivity of the algorithm to the change of a single node in the sampling tree. By leveraging the FL structure, we recover and strictly imply existing state-of-the-art conditional mutual information (CMI) bounds in the case of bounded losses. We also show that our bound can be applied together with Differential Privacy assumptions, to recover generalization bounds based on algorithmic privacy. To assess the tightness of our bounds, we study the Gaussian Location Model (GLM) and show that we recover the actual asymptotic rate of the generalization error.

At the core of scientific computing and much of modern machine learning (ML) lies the challenge of estimating the eigenvalues of high-dimensional Hermitian matrices. Such matrices, including kernels, Hessians, and graph representations, encode the intrinsic geometry and connectivity of the data and models built on them, rendering the pursuit of efficient spectral techniques a primary concern for both theory and practice. Studying eigenspectra has become a prominent approach to understanding performance and guiding training in deep learning [10, 20, 36, 53]. In many cases, the spectra of such matrices have non-trivial structure, often containing spikes, multiple multi-modal bulks, and heavy-tails [14, 25]. Conventional algorithms to extract eigenvalue information from these matrices have required that the data are able to be stored in memory, scratch space, or can at least be accessed as an implicit operator (via matrix-vector products). More recently, a new class of algorithms has emerged that is able to provide highly-accurate estimates of the eigenvalues (or summary functionals thereof [2]) of matrices, even without implicit or explicit access to the full matrix, i.e., of so-called impalpable matrices [1]. One such method, termed Free Decompression (FD), shows great promise as a tool for gaining access to the spectral distributions of such impalpable matrices. The central premise is that by appropriately sampling a small sub-matrix from the large impalpable matrix of interest, one can evolve a partial differential equation (PDE) in the Stieltjes transform of a spectral density in the decompression ratio to the desired matrix dimension.

Bayesian predictive inference propagates parameter uncertainty to quantities of interest through the posterior-predictive distribution. In practice, this is typically performed using a two-stage procedure: first approximating the posterior distribution of model parameters, and then propagating posterior samples through the predictive model via Monte Carlo simulation. This sequential workflow can be computationally demanding, particularly for high-fidelity models such as those governed by partial differential equations. We propose a variational Bayesian framework that directly targets the posterior-predictive distribution and jointly learns variational approximations of both the posterior and the corresponding predictive distribution. The formulation introduces a variational upper bound on the Kullback--Leibler divergence together with moment-based regularization terms. The variational distributions are trained in an amortized manner, shifting computational effort to an offline stage and enabling efficient online inference. Numerical experiments ranging from analytical benchmarks to a finite-element solid mechanics problem demonstrate that the proposed method achieves more accurate predictive distributions than conventional two-stage variational inference, while substantially reducing the cost of online predictive inference.

Training-free conditional diffusion provides a flexible alternative to task-specific conditional model training, but existing samplers often allocate computation inefficiently: independent guided trajectories can vary widely in quality, and additional function evaluations along a single trajectory may not recover from poor early decisions. We propose Tempered Guided Diffusion (TGD), an annealed sequential Monte Carlo framework for training-free conditional sampling with diffusion priors. TGD targets tempered posterior distributions over the clean signal, using noisy diffusion states only as auxiliary variables for proposing reconstructions and propagating particles. Particles are reweighted by incremental likelihood ratios, resampled, and propagated across noise levels, concentrating computation on trajectories plausible under both the prior and observation. Under idealized exact-reconstruction assumptions, full TGD yields a consistent particle approximation to the posterior as the number of particles grows. For expensive reconstruction tasks, Accelerated TGD (A-TGD) retains early particle exploration but prunes to a single high-likelihood trajectory partway through sampling. Experiments on a controlled two-dimensional inverse problem and image inverse problems show improved posterior approximation and favorable wall-clock speed-quality tradeoffs over independent multi-trajectory baselines.

Minimizing the Mean Squared Error (MSE) is a key objective in machine learning and is commonly used for imputing missing values. While this approach provides accurate point estimates, it introduces systematic biases in downstream analyses. These biases affect key parameters such as variance, prevalence, correlation, slope, and explained variance. The root cause is that imputed values optimized for MSE are averages, which reduce the natural variability in the data. This paper demonstrates that adding noise to imputed values can effectively eliminate these biases. The required noise level is proportional to the MSE. Using a toy example in a multivariate normal setting, we compare two methods: predictive imputation, which minimizes MSE, and stochastic imputation, which incorporates random noise. Simulation results show that predictive methods systematically introduce bias, while stochastic methods preserve the data's natural variability and produce unbiased estimates. We also evaluate three popular imputation tools -- missForest, softImpute, and mice -- and observe consistent biases in predictive methods. These findings highlight that MSE is an inadequate measure of imputation quality, as it prioritizes accuracy over variability. Incorporating noise into imputation methods is essential to prevent biases and ensure valid downstream analyses, underscoring the importance of stochastic approaches for handling incomplete data.