Estimating the distribution of outcomes under counterfactual policies is critical for decision-making in domains such as recommendation, advertising, and healthcare. We propose and analyze a novel framework--Counterfactual Policy Mean Embedding (CPME)--that represents the entire counterfactual outcome distribution in a reproducing kernel Hilbert space (RKHS), enabling flexible and nonparametric distributional off-policy evaluation. We introduce both a plug-in estimator and a doubly robust estimator; the latter enjoys improved convergence rates by correcting for bias in both the outcome embedding and propensity models. Building on this, we develop a doubly robust kernel test statistic for hypothesis testing, which achieves asymptotic normality and thus enables computationally efficient testing and straightforward construction of confidence intervals. Our framework also supports sampling from the counterfactual distribution. Numerical simulations illustrate the practical benefits of CPME over existing methods.

Oligonucleotide therapeutics offer great potential to address previously undruggable targets and enable personalized medicine. However, their progress is often hindered by insufficient safety and efficacy profiles. Predictive modeling and machine learning could significantly accelerate oligonucleotide drug discovery by identifying suboptimal compounds early on, but their application in this area lags behind other modalities. A key obstacle to the adoption of machine learning in the field is the scarcity of readily accessible and standardized datasets for model development, as data are often scattered across diverse experiments with inconsistent molecular representations. To overcome this challenge, we introduce OligoGym, a curated collection of standardized, machine learning-ready datasets encompassing various oligonucleotide therapeutic modalities and endpoints. We used OligoGym to benchmark diverse classical and deep learning methods, establishing performance baselines for each dataset across different featurization techniques, model configurations, and splitting strategies. Our work represents a crucial first step in creating a more unified framework for oligonucleotide therapeutic dataset generation and model training.

Quantifying uncertainty in deep regression models is important both for understanding the confidence of the model and for safe decision-making in high-risk domains. Existing approaches that yield prediction intervals overlook distributional information, neglecting the effect of multimodal or asymmetric distributions on decision-making.

Gaussian sketching, which consists of pre-multiplying the data with a random Gaussian matrix, is a widely used technique in data science and machine learning. Beyond computational benefits, this operation also provides differential privacy guarantees due to its inherent randomness. In this work, we revisit this operation through the lens of Rényi Differential Privacy (RDP), providing a refined privacy analysis that yields significantly tighter bounds than prior results. We then demonstrate how this improved analysis leads to performance improvement in different linear regression settings, establishing theoretical utility guarantees. Empirically, our methods improve performance across multiple datasets and, in several cases, reduce runtime.

Local search is a powerful clustering technique that provides high-quality solutions with theoretical guarantees. With distance-based sampling strategies, local search methods can achieve constant approximations for clustering with linear running time in data size. Despite their effectiveness, existing algorithms still face scalability issues as they require scanning the entire dataset for iterative center swaps. This typically leads to an O(ndk) running time, where nis the data size, dis the dimension, k is the number of clusters. To further improve the efficiency of local search algorithms, we propose new methods based on adaptive sampling and bandit strategies.

Counterfactual explanations provide individuals with cost-optimal recommendations to achieve their desired outcomes. However, when a significant number of individuals seek similar state modifications, this individual-centric approach can inadvertently create competition and introduce unforeseen costs. Additionally, disregarding the underlying data distribution may lead to recommendations that individuals perceive as unusual or impractical. To address these challenges, we propose a novel framework that extends standard counterfactual explanations by incorporating a population dynamics model. This framework penalizes deviations from equilibrium after individuals follow the recommendations, effectively mitigating externalities caused by correlated changes across the population. By balancing individual modification costs with their impact on others, our method ensures more equitable and efficient outcomes. We show how this approach reframes the counterfactual explanation problem from an individual-centric task to a collective optimization problem. Augmenting our theoretical insights, we design and implement scalable algorithms for computing collective counterfactuals, showcasing their effectiveness and advantages over existing recourse methods, particularly in aligning with collective objectives.

Motivated by the optimization of bounded binary black-box functions, we study the problem of learning polynomial surrogates over the Boolean hypercube. To ensure that optimizing the surrogate yields good solutions for the underlying objective, we require uniform $L_\infty$-error guarantees rather than the usual $L_2$-type guarantees. We characterize the minimax sample complexity of uniform estimation under subgaussian noise for two classes of bounded polynomials. First, for polynomials of degree at most $d$ on $n$ variables, the sample complexity scales as $n^{d+1}$. Second, for $s$-sparse Fourier-Walsh polynomials with $s \leq n$, it scales as $ns^2$. These rates differ structurally from the noiseless setting, where uniform exact recovery scales as $n^d$ and $ns$, respectively. Our lower bounds hold even for arbitrary adaptive learners, showing that the additional factors are intrinsic to the noisy cases. Standard Fourier-analysis tools for the $L_2$-norm do not naturally extend to the $L_\infty$-setting in a way that yields uniform guarantees. Our proofs overcome this difficulty by relying on suitably chosen auxiliary norms that serve as proxies for controlling the $L_\infty$-error. Together, our results provide a tight characterization of the sample complexity of learning optimization-safe polynomial surrogates.

Causal discovery from observational data remains challenging due to the need to recover directed structure and latent confounding without interventions. We propose FoundCause, an amortized causal discovery model trained entirely on synthetic data that maps datasets directly to causal graphs in a single forward pass. By learning from large collections of simulated structural causal models, FoundCause captures transferable statistical patterns that generalize beyond individual datasets. The architecture incorporates several key inductive biases for causal discovery. It uses a permutation-invariant transformer encoder with alternating attention over samples and variables to jointly model cross-variable dependence and per-variable distributions. Pairwise statistical features derived from classical asymmetry measures are injected through statistics-conditioned attention, guiding the model toward known causal signals. A factorized decoder separates edge existence from direction, while a triangular refinement module enables reasoning over higher-order causal motifs such as chains and colliders. In addition, a dedicated confounder module based on learnable latent tokens explicitly models hidden common causes, and the model explicitly handles missing data via its masked input representation. To our knowledge, FoundCause is the first amortized causal discovery approach to explicitly model latent confounding. FoundCause outperforms 11 classical non-amortized methods (e.g., PC, GES, NOTEARS-style optimization) and 4 amortized causal discovery methods on 15 real-world datasets, achieving +9.6% improvement in $F_1$, +1.2% in AUROC, and an 18.9% reduction in structural Hamming distance relative to the strongest non-amortized methods, while performing inference in a single forward pass.

Understanding how individual metro usage evolves over multi-year horizons is essential for transit planning and passenger retention. However, existing approaches typically characterize mobility patterns as static clusters or short-term variability, leaving the lifecycle dynamics of transit participation underexplored. This study proposes a state-based lifecycle modeling framework that integrates Hidden Semi-Markov Models (HSMM) with discrete-time survival analysis to characterize the evolution of individual metro mobility. The HSMM infers latent mobility states with explicit duration distributions and a transition matrix governing regime changes, while the survival component models exit and re-entry events via state-dependent hazard functions conditioned on mobility-state trajectories and behavioral history. Applied to four years of smart card data from the Shanghai metro system (2021-2024), the framework enables the identification of interpretable mobility states, the characterization of transition dynamics, and the quantification of state-dependent exit and re-entry processes. The analysis reveals five robust mobility states with a directional transition hierarchy centered on an occasional-usage gateway state, and fundamentally different temporal mechanisms governing disengagement and return: exit hazard is state-dependent but duration-independent, whereas re-entry hazard decays sharply with inactivity length. These findings provide a methodological foundation for lifecycle-oriented mobility analysis and practical guidance for transit operators to identify at-risk users and time retention interventions.

This paper extends classical conformal frameworks for constructing prediction intervals with global marginal coverage $1-α$ to intervals that provide explicitly calibrated guarantees for the upper and lower tails separately. Focusing on split conformal prediction, we first construct lower and upper one-sided conformal intervals that achieve marginal validity, and then derive the induced two-sided interval by intersection. Theoretical results prove both tail-specific and global marginal coverage of the induced two-sided interval. Results are presented first for the exchangeable setting, where coverage has finite-sample guarantees, and then for non-exchangeable data, where guarantees are asymptotic. Simulation studies show that the proposed approach achieves improved directional calibration relative to classical two-sided intervals, especially relevant in skewed data. Finally, the benefit of the proposed framework is showcased in a financial application, where one aims for return maximization while seeking strict control on the left tail.