Subgroup analyses within randomized controlled trials are often underpowered due to limited sample sizes. We address this challenge by leveraging trial participants outside the subgroup of interest to augment estimation within the subgroup. Specifically, we study two Targeted Maximum Likelihood Estimators (TMLEs) that borrow information from non-subgroup participants within the same trial: a TMLE with pooled regression (TMLE-PR) and an Adaptive Targeted Maximum Likelihood Estimator (A-TMLE). Both estimators enable information sharing without relying on any external real-world data, thereby capitalizing on key strengths of the trial: most importantly, the protection against bias afforded by the randomized treatment, but also harmonized data collection, and consistent treatment and outcome definitions. The general strategy proposed here directly advances the priorities of key regulatory agencies, including the FDA, by improving the precision of subgroup-specific treatment effect estimates without introducing external sources of bias, thereby facilitating rigorous inference to support equitable labeling, access, and post-market evaluation. In a case study based on analysis of data from a cardiovascular outcome trial (LEADER, NCT01179048), we estimate the risk reduction of major adverse cardiac events (MACE) under liraglutide treatment among Black and Asian subgroups -- each comprising less than 10\% of the trial population -- using the proposed estimators that borrow information from the remainder of the trial. Using A-TMLE, in particular, we find estimated absolute MACE risk reductions of 1.6, 1.5, and 1.5 percentage points among Asian participants and 2.1, 2.0, and 2.1 percentage points among Black participants at 365, 540, and 730 days, respectively, with 95\% confidence intervals excluding the null at each time point.

Neural network surrogate models have emerged as a promising approach to model solution fields for a wide variety of boundary value problems encountered in physical modeling. Stochastic problems represent an area of particularly high interest because of the potential to significantly reduce the repeated evaluation of expensive forward models via traditional numerical solvers when conducting parametric analysis. However, many studies found in the literature primarily focus on the ability of neural network surrogate models to represent deterministic samples or mean field solutions and largely overlook surrogate model performance at the tails of the distribution. The present study examines in detail the ability of neural network surrogate models to capture the full distribution of solution fields over the entire probability space, while emphasis is placed at the tails of the distribution. Serving as a canonical problem is the heat conduction equation with a highly stochastic source term, inducing extremely large variation in the thermal solution field. Comparisons are made between a classic feed-forward fully connected network and a Deep Operator Network architecture, using both data-driven and physics-informed loss functions. Results show that the worst-case prediction errors are an order of magnitude larger than the mean field error, highlighting the importance of the outlier samples. The large errors associated with extreme samples result from the networks having to extrapolate beyond the bounds of the training data. A method for identifying these samples is presented along with a discussion of potential approaches to account of their errors. Among the models considered, the fully connected neural network trained using a weak form residual loss performs best in handling these extrapolated inputs, achieving the highest prediction accuracy for the numerically produced datasets.

We present a covariance-aware sampler that improves the quality of pixel-space Diffusion Model (DM) sampling in the few-step regime. We hypothesize that in the few-step regime samplers fail because they rely solely on the predicted mean of the reverse distribution, while our solution explicitly models the reverse-process covariance. Our method combines Tweedie's formula to estimate the covariance with an efficient, structured Fourier-space decomposition of the covariance matrix. Implemented as an extension of DDIM, our method requires only a minimal overhead: one extra Jacobian-Vector Product (JVP) per step. We demonstrate that for pixel-based DMs, our method consistently produces superior samples compared to state-of-the-art second order samplers (Heun, DPM-Solver++) and the recent aDDIM sampler, at an identical number of function evaluations (NFE).

Extreme value theory provides rigorous theory and statistical tools for extrapolation in machine learning, particularly in settings where traditional methods struggle due to data scarcity in the tails. A broad range of tasks benefit from these advances, including regression and classification beyond the training data, extreme quantile regression, supervised and unsupervised dimension reduction, generative artificial intelligence and anomaly detection. This review synthesizes recent developments in these fields at the intersection of statistical learning and extreme value theory, with a focus on principled methods based on asymptotically motivated representations of the tail of univariate and multivariate distributions. We consider different theoretical frameworks for both asymptotically dependent and independent data and discuss how they translate into efficient statistical methods for extrapolation to extreme regions. By addressing both theoretical and practical aspects, we offer a comprehensive overview of the state-of-the-art in this quickly evolving field, and identify promising directions for future research.

In this paper, we study norm-based regularization methods for neural networks. We compare existing penalization approaches and introduce two regularization strategies that extend classical ridge- and lasso-type penalties to neural network models. The first strategy modifies weight decay by incorporating the covariance structure of the input features into a ridge-type $\ell_2$ penalty, allowing regularization to account for feature dependence. The second combines an $\ell_1$ sparsity penalty with covariance-aware $\ell_2$ regularization, producing neural network weights that are both sparse and structurally informed. Monte Carlo simulations are used to evaluate these methods under different data-generating settings, followed by two real-data applications on building cooling-load prediction and leukemia cell-type classification from high-dimensional gene expression data. Across simulated and real-data examples, the proposed regularizers improve predictive performance on unseen data and provide more effective complexity control than standard norm-based penalties, particularly when features are correlated or high-dimensional.

Predictive Bayesian inference (PBI) represents a model-and prior-agnostic approach to standard Bayesian inference which allows users to quantify uncertainty for a functional of interest only by specifying a forward predictive model for future unobserved data. The flexibility and generality of this framework have led to a host of novel algorithms for implementing this approach, and many empirical applications, yet the reliability of the resulting inferences for the underlying statistical functional of interest remains unclear. Herein, we demonstrate that when using PBI for a population functional of interest, the resulting posterior concentrates onto a well-defined quantity that explicitly depends on the forward predictive model used to implement the predictive recursion underlying the method. Furthermore, the forward predictive model entirely determines the uncertainty quantification produced in PBI. Consequently, our results show that if the predictive model does not capture all relevant features of the data, and, even in very simple examples, the coverage of predictive Bayes credible sets for the population value of the functional of interest can be arbitrarily close to zero. We carefully explain why this occurs, and show that this behavior is directly tied to the inaccuracy of the forward predictive model used to produce future observations within the PBI framework. As a consequence, our results imply that in order for PBI to deliver calibrated posterior inferences, the resulting predictive engine used to generate posterior samples must contain, in a well-defined sense, the true DGP, else inferences generated under this framework will not be calibrated.

The rapid progress in generative models has resulted in impressive leaps in generation quality, blurring the lines between synthetic and real data. Web-scale datasets are now prone to the inevitable contamination by synthetic data, directly impacting the training of future generated models. Already, some theoretical results on self-consuming generative models (a.k.a., iterative retraining) have emerged in the literature, showcasing that either model collapse or stability could be possible depending on the fraction of generated data used at each retraining step. However, in practice, synthetic data is often subject to human feedback and curated by users before being used and uploaded online. For instance, many interfaces of popular text-to-image generative models, such as Stable Diffusion or Midjourney, produce several variations of an image for a given query which can eventually be curated by the users. In this paper, we theoretically study the impact of data curation on iterated retraining of generative models and show that it can be seen as an implicit preference optimization mechanism.

Whether or not a country is at war, or experiencing escalating or deescalating levels of conflict, has massive ramifications on a country's national and foreign policy. Given a country's history of conflict, or lack thereof, future predictions about the war-status of a country are valuable information. In this paper, we present the use of conformal prediction on temporally-dependent data to obtain prediction sets of possible future conflict state-sequences. More specifically, we compare the results of conformal prediction to a likelihood-based prediction strategy when the data are assumed to come from a discrete-state Markov process. A point-prediction may not supply sufficient information because the penalty for a wrong prediction is extreme, and so we consider a machine learning alternative that gives valid uncertainty quantification and is robust to model misspecification. In the data analysis, we present real forecasts of conflict dynamics across multiple countries. Lastly, we comment on the possible limitations of existing approaches for applying conformal prediction to Markovian data, where the exchangeability assumption is violated.

We provide the first global optimization landscape analysis of Neural Collapse-- an intriguing empirical phenomenon that arises in the last-layer classifiers and features of neural networks during the terminal phase of training. As recently reported in [1], this phenomenon implies that (i) the class means and the last-layer classifiers all collapse to the vertices of a Simplex Equiangular Tight Frame (ETF) up to scaling, and (ii) cross-example within-class variability of last-layer activations collapses to zero. We study the problem based on a simplified unconstrained feature model, which isolates the topmost layers from the classifier of the neural network. In this context, we show that the classical cross-entropy loss with weight decay has a benign global landscape, in the sense that the only global minimizers are the Simplex ETFs while all other critical points are strict saddles whose Hessian exhibit negative curvature directions. Our analysis of the simplified model not only explains what kind of features are learned in the last layer, but also shows why they can be efficiently optimized, matching the empirical observations in practical deep network architectures. These findings provide important practical implications. As an example, our experiments demonstrate that one may set the feature dimension equal to the number of classes and fix the last-layer classifier to be a Simplex ETF for network training, which reduces memory cost by over 20% on ResNet18 without sacrificing the generalization performance.

Recent years have witnessed an upsurge of interest in employing flexible machine learning models for instrumental variable (IV) regression, but the development of uncertainty quantification methodology is still lacking. In this work we present a scalable quasi-Bayesian procedure for IV regression, building upon the recently developed kernelized IV models. Contrary to Bayesian modeling for IV, our approach does not require additional assumptions on the data generating process, and leads to a scalable approximate inference algorithm with time cost comparable to the corresponding point estimation methods. Our algorithm can be further extended to work with neural network models. We analyze the theoretical properties of the proposed quasi-posterior, and demonstrate through empirical evaluation the competitive performance of our method.