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Prediction Intervals for Individual Treatment Effects in a Multiple Decision Point Framework using Conformal Inference

arXiv.org Machine Learning

Accurately quantifying uncertainty of individual treatment effects (ITEs) across multiple decision points is crucial for personalized decision-making in fields such as healthcare, finance, education, and online marketplaces. Previous work has focused on predicting non-causal longitudinal estimands or constructing prediction bands for ITEs using cross-sectional data based on exchangeability assumptions. We propose a novel method for constructing prediction intervals using conformal inference techniques for time-varying ITEs with weaker assumptions than prior literature. We guarantee a lower bound for coverage, which is dependent on the degree of non-exchangeability in the data. Although our method is broadly applicable across decision-making contexts, we support our theoretical claims with simulations emulating micro-randomized trials (MRTs) -- a sequential experimental design for mobile health (mHealth) studies. We demonstrate the practical utility of our method by applying it to a real-world MRT - the Intern Health Study (IHS).


Heuristics for Combinatorial Optimization via Value-based Reinforcement Learning: A Unified Framework and Analysis

arXiv.org Machine Learning

Since the 1990s, considerable empirical work has been carried out to train statistical models, such as neural networks (NNs), as learned heuristics for combinatorial optimization (CO) problems. When successful, such an approach eliminates the need for experts to design heuristics per problem type. Due to their structure, many hard CO problems are amenable to treatment through reinforcement learning (RL). Indeed, we find a wealth of literature training NNs using value-based, policy gradient, or actor-critic approaches, with promising results, both in terms of empirical optimality gaps and inference runtimes. Nevertheless, there has been a paucity of theoretical work undergirding the use of RL for CO problems. To this end, we introduce a unified framework to model CO problems through Markov decision processes (MDPs) and solve them using RL techniques. We provide easy-to-test assumptions under which CO problems can be formulated as equivalent undiscounted MDPs that provide optimal solutions to the original CO problems. Moreover, we establish conditions under which value-based RL techniques converge to approximate solutions of the CO problem with a guarantee on the associated optimality gap. Our convergence analysis provides: (1) a sufficient rate of increase in batch size and projected gradient descent steps at each RL iteration; (2) the resulting optimality gap in terms of problem parameters and targeted RL accuracy; and (3) the importance of a choice of state-space embedding. Together, our analysis illuminates the success (and limitations) of the celebrated deep Q-learning algorithm in this problem context.


Minimax and Bayes Optimal Adaptive Experimental Design for Treatment Choice

arXiv.org Machine Learning

We consider an adaptive experiment for treatment choice and design a minimax and Bayes optimal adaptive experiment with respect to regret. Given binary treatments, the experimenter's goal is to choose the treatment with the highest expected outcome through an adaptive experiment, in order to maximize welfare. We consider adaptive experiments that consist of two phases, the treatment allocation phase and the treatment choice phase. The experiment starts with the treatment allocation phase, where the experimenter allocates treatments to experimental subjects to gather observations. During this phase, the experimenter can adaptively update the allocation probabilities using the observations obtained in the experiment. After the allocation phase, the experimenter proceeds to the treatment choice phase, where one of the treatments is selected as the best. For this adaptive experimental procedure, we propose an adaptive experiment that splits the treatment allocation phase into two stages, where we first estimate the standard deviations and then allocate each treatment proportionally to its standard deviation. We show that this experiment, often referred to as Neyman allocation, is minimax and Bayes optimal in the sense that its regret upper bounds exactly match the lower bounds that we derive. To show this optimality, we derive minimax and Bayes lower bounds for the regret using change-of-measure arguments. Then, we evaluate the corresponding upper bounds using the central limit theorem and large deviation bounds.


A Distribution Testing Approach to Clustering Distributions

arXiv.org Machine Learning

We study the following distribution clustering problem: Given a hidden partition of $k$ distributions into two groups, such that the distributions within each group are the same, and the two distributions associated with the two clusters are $\varepsilon$-far in total variation, the goal is to recover the partition. We establish upper and lower bounds on the sample complexity for two fundamental cases: (1) when one of the cluster's distributions is known, and (2) when both are unknown. Our upper and lower bounds characterize the sample complexity's dependence on the domain size $n$, number of distributions $k$, size $r$ of one of the clusters, and distance $\varepsilon$. In particular, we achieve tightness with respect to $(n,k,r,\varepsilon)$ (up to an $O(\log k)$ factor) for all regimes.


Low Rank Support Quaternion Matrix Machine

arXiv.org Machine Learning

Input features are conventionally represented as vectors, matrices, or third order tensors in the real field, for color image classification. Inspired by the success of quaternion data modeling for color images in image recovery and denoising tasks, we propose a novel classification method for color image classification, named as the Low-rank Support Quaternion Matrix Machine (LSQMM), in which the RGB channels are treated as pure quaternions to effectively preserve the intrinsic coupling relationships among channels via the quaternion algebra. For the purpose of promoting low-rank structures resulting from strongly correlated color channels, a quaternion nuclear norm regularization term, serving as a natural extension of the conventional matrix nuclear norm to the quaternion domain, is added to the hinge loss in our LSQMM model. An Alternating Direction Method of Multipliers (ADMM)-based iterative algorithm is designed to effectively resolve the proposed quaternion optimization model. Experimental results on multiple color image classification datasets demonstrate that our proposed classification approach exhibits advantages in classification accuracy, robustness and computational efficiency, compared to several state-of-the-art methods using support vector machines, support matrix machines, and support tensor machines.


Distributional Random Forests for Complex Survey Designs on Reproducing Kernel Hilbert Spaces

arXiv.org Machine Learning

We study estimation of the conditional law $P(Y|X=\mathbf{x})$ and continuous functionals $ฮจ(P(Y|X=\mathbf{x}))$ when $Y$ takes values in a locally compact Polish space, $X \in \mathbb{R}^p$, and the observations arise from a complex survey design. We propose a survey-calibrated distributional random forest (SDRF) that incorporates complex-design features via a pseudo-population bootstrap, PSU-level honesty, and a Maximum Mean Discrepancy (MMD) split criterion computed from kernel mean embeddings of Hรกjek-type (design-weighted) node distributions. We provide a framework for analyzing forest-style estimators under survey designs; establish design consistency for the finite-population target and model consistency for the super-population target under explicit conditions on the design, kernel, resampling multipliers, and tree partitions. As far as we are aware, these are the first results on model-free estimation of conditional distributions under survey designs. Simulations under a stratified two-stage cluster design provide finite sample performance and demonstrate the statistical error price of ignoring the survey design. The broad applicability of SDRF is demonstrated using NHANES: We estimate the tolerance regions of the conditional joint distribution of two diabetes biomarkers, illustrating how distributional heterogeneity can support subgroup-specific risk profiling for diabetes mellitus in the U.S. population.


Worst-case generation via minimax optimization in Wasserstein space

arXiv.org Machine Learning

In many high-stakes engineering and operational systems, such as autonomous vehicles [71], power systems [55], and healthcare [24], the outcomes that are most consequential for reliability, risk management, and decision-making arise not from typical observations, but from low-probability, high-impact scenarios situated at the periphery of the data-generating distribution. Such scenarios--stemming from atypical environmental conditions, irregular system configurations, or broader distributional shifts--often exert disproportionate influence on system performance. Yet, they are intrinsically difficult to observe, anticipate, or replicate through standard data-driven methods. Consequently, the ability to systematically construct informative worst-case samples is essential for rigorous stress testing, robustness certification, and the evaluation of models under meaningful but unobserved operating regimes. This need aligns with recent developments in generative modeling aimed at extreme-scenario synthesis, thereby enabling the identification of structural vulnerabilities that remain obscured under nominal data conditions. A natural framework for representing inference or decision-making systems under such worst-case scenarios is distributionally robust optimization (DRO), which minimizes expected loss over an ambiguity set of probability distributions and thereby provides a principled mechanism for modeling distributional uncertainty in stochastic optimization. Within this paradigm, Wasserstein DRO has emerged as a popular approach due to its geometry-aware ambiguity sets, which both capture realistic data perturbations and offer strong out-of-sample guarantees.


Bayesian Semiparametric Mixture Cure (Frailty) Models

arXiv.org Machine Learning

In recent years, mixture cure models have gained increasing popularity in survival analysis as an alternative to the Cox proportional hazards model, particularly in settings where a subset of patients is considered cured. The proportional hazards mixture cure model is especially advantageous when the presence of a cured fraction can be reasonably assumed, providing a more accurate representation of long-term survival dynamics. In this study, we propose a novel hierarchical Bayesian framework for the semiparametric mixture cure model, which accommodates both the inclusion and exclusion of a frailty component, allowing for greater flexibility in capturing unobserved heterogeneity among patients. Samples from the posterior distribution are obtained using a Markov chain Monte Carlo method, leveraging a hierarchical structure inspired by Bayesian Lasso. Comprehensive simulation studies are conducted across diverse scenarios to evaluate the performance and robustness of the proposed models. Bayesian model comparison and assessment are performed using various criteria. Finally, the proposed approaches are applied to two well-known datasets in the cure model literature: the E1690 melanoma trial and a colon cancer clinical trial.


Complexity of One-Dimensional ReLU DNNs

arXiv.org Machine Learning

Abstract--We study the expressivity of one-dimensional (1D) ReLU deep neural networks through the lens of their linear regions. We also propose a function-adaptive notion of sparsity that compares the expected regions used by the network to the minimal number needed to approximate a target within a fixed tolerance. Deep Neural Networks (DNNs) with Rectified Linear Unit (ReLU) activation functions are piecewise-linear functions whose expressive power can be studied via the number of linear regions that they create [1]-[3]. However, achieving such approximations for complicated functions typically demands substantial computational resources. The Lottery Ticket Hypothesis states that we can often remove many connections while maintaining similar performance, motivating the study of sparse DNNs [7].


LUNA: Linear Universal Neural Attention with Generalization Guarantees

arXiv.org Machine Learning

Scaling attention faces a critical bottleneck: the $\mathcal{O}(n^2)$ quadratic computational cost of softmax attention, which limits its application in long-sequence domains. While linear attention mechanisms reduce this cost to $\mathcal{O}(n)$, they typically rely on fixed random feature maps, such as random Fourier features or hand-crafted functions. This reliance on static, data-agnostic kernels creates a fundamental trade-off, forcing practitioners to sacrifice significant model accuracy for computational efficiency. We introduce \textsc{LUNA}, a kernelized linear attention mechanism that eliminates this trade-off, retaining linear cost while matching and surpassing the accuracy of quadratic attention. \textsc{LUNA} is built on the key insight that the kernel feature map itself should be learned rather than fixed a priori. By parameterizing the kernel, \textsc{LUNA} learns a feature basis tailored to the specific data and task, overcoming the expressive limitations of fixed-feature methods. \textsc{Luna} implements this with a learnable feature map that induces a positive-definite kernel and admits a streaming form, yielding linear time and memory scaling in the sequence length. Empirical evaluations validate our approach across diverse settings. On the Long Range Arena (LRA), \textsc{Luna} achieves state-of-the-art average accuracy among efficient Transformers under compute parity, using the same parameter count, training steps, and approximate FLOPs. \textsc{Luna} also excels at post-hoc conversion: replacing softmax in fine-tuned BERT and ViT-B/16 checkpoints and briefly fine-tuning recovers most of the original performance, substantially outperforming fixed linearizations.