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Distributional Off-Policy Evaluation with Deep Quantile Process Regression

Kuang, Qi, Wang, Chao, Jiao, Yuling, Zhou, Fan

arXiv.org Machine Learning

This paper investigates the off-policy evaluation (OPE) problem from a distributional perspective. Rather than focusing solely on the expectation of the total return, as in most existing OPE methods, we aim to estimate the entire return distribution. To this end, we introduce a quantile-based approach for OPE using deep quantile process regression, presenting a novel algorithm called Deep Quantile Process regression-based Off-Policy Evaluation (DQPOPE). We provide new theoretical insights into the deep quantile process regression technique, extending existing approaches that estimate discrete quantiles to estimate a continuous quantile function. A key contribution of our work is the rigorous sample complexity analysis for distributional OPE with deep neural networks, bridging theoretical analysis with practical algorithmic implementations. We show that DQPOPE achieves statistical advantages by estimating the full return distribution using the same sample size required to estimate a single policy value using conventional methods. Empirical studies further show that DQPOPE provides significantly more precise and robust policy value estimates than standard methods, thereby enhancing the practical applicability and effectiveness of distributional reinforcement learning approaches.


Debiased Machine Learning for Conformal Prediction of Counterfactual Outcomes Under Runtime Confounding

Barnatchez, Keith, Josey, Kevin P., Nethery, Rachel C., Parmigiani, Giovanni

arXiv.org Machine Learning

Data-driven decision making frequently relies on predicting counterfactual outcomes. In practice, researchers commonly train counterfactual prediction models on a source dataset to inform decisions on a possibly separate target population. Conformal prediction has arisen as a popular method for producing assumption-lean prediction intervals for counterfactual outcomes that would arise under different treatment decisions in the target population of interest. However, existing methods require that every confounding factor of the treatment-outcome relationship used for training on the source data is additionally measured in the target population, risking miscoverage if important confounders are unmeasured in the target population. In this paper, we introduce a computationally efficient debiased machine learning framework that allows for valid prediction intervals when only a subset of confounders is measured in the target population, a common challenge referred to as runtime confounding. Grounded in semiparametric efficiency theory, we show the resulting prediction intervals achieve desired coverage rates with faster convergence compared to standard methods. Through numerous synthetic and semi-synthetic experiments, we demonstrate the utility of our proposed method.


Learning interacting particle systems from unlabeled data

Wei, Viska, Lu, Fei

arXiv.org Machine Learning

Learning the potentials of interacting particle systems is a fundamental task across various scientific disciplines. A major challenge is that unlabeled data collected at discrete time points lack trajectory information due to limitations in data collection methods or privacy constraints. We address this challenge by introducing a trajectory-free self-test loss function that leverages the weak-form stochastic evolution equation of the empirical distribution. The loss function is quadratic in potentials, supporting parametric and nonparametric regression algorithms for robust estimation that scale to large, high-dimensional systems with big data. Systematic numerical tests show that our method outperforms baseline methods that regress on trajectories recovered via label matching, tolerating large observation time steps. We establish the convergence of parametric estimators as the sample size increases, providing a theoretical foundation for the proposed approach.


Statistical Guarantees for Distributionally Robust Optimization with Optimal Transport and OT-Regularized Divergences

Birrell, Jeremiah, Shen, Xiaoxi

arXiv.org Machine Learning

We study finite-sample statistical performance guarantees for distributionally robust optimization (DRO) with optimal transport (OT) and OT-regularized divergence model neighborhoods. Specifically, we derive concentration inequalities for supervised learning via DRO-based adversarial training, as commonly employed to enhance the adversarial robustness of machine learning models. Our results apply to a wide range of OT cost functions, beyond the $p$-Wasserstein case studied by previous authors. In particular, our results are the first to: 1) cover soft-constraint norm-ball OT cost functions; soft-constraint costs have been shown empirically to enhance robustness when used in adversarial training, 2) apply to the combination of adversarial sample generation and adversarial reweighting that is induced by using OT-regularized $f$-divergence model neighborhoods; the added reweighting mechanism has also been shown empirically to further improve performance. In addition, even in the $p$-Wasserstein case, our bounds exhibit better behavior as a function of the DRO neighborhood size than previous results when applied to the adversarial setting.


From Cross-Validation to SURE: Asymptotic Risk of Tuned Regularized Estimators

Adusumilli, Karun, Kasy, Maximilian, Wilson, Ashia

arXiv.org Machine Learning

We derive the asymptotic risk function of regularized empirical risk minimization (ERM) estimators tuned by $n$-fold cross-validation (CV). The out-of-sample prediction loss of such estimators converges in distribution to the squared-error loss (risk function) of shrinkage estimators in the normal means model, tuned by Stein's unbiased risk estimate (SURE). This risk function provides a more fine-grained picture of predictive performance than uniform bounds on worst-case regret, which are common in learning theory: it quantifies how risk varies with the true parameter. As key intermediate steps, we show that (i) $n$-fold CV converges uniformly to SURE, and (ii) while SURE typically has multiple local minima, its global minimum is generically well separated. Well-separation ensures that uniform convergence of CV to SURE translates into convergence of the tuning parameter chosen by CV to that chosen by SURE.


Sampling from Constrained Gibbs Measures: with Applications to High-Dimensional Bayesian Inference

Wang, Ruixiao, Chen, Xiaohong, Chewi, Sinho

arXiv.org Machine Learning

This paper considers a non-standard problem of generating samples from a low-temperature Gibbs distribution with \emph{constrained} support, when some of the coordinates of the mode lie on the boundary. These coordinates are referred to as the non-regular part of the model. We show that in a ``pre-asymptotic'' regime in which the limiting Laplace approximation is not yet valid, the low-temperature Gibbs distribution concentrates on a neighborhood of its mode. Within this region, the distribution is a bounded perturbation of a product measure: a strongly log-concave distribution in the regular part and a one-dimensional exponential-type distribution in each coordinate of the non-regular part. Leveraging this structure, we provide a non-asymptotic sampling guarantee by analyzing the spectral gap of Langevin dynamics. Key examples of low-temperature Gibbs distributions include Bayesian posteriors, and we demonstrate our results on three canonical examples: a high-dimensional logistic regression model, a Poisson linear model, and a Gaussian mixture model.




Adversarially Robust Multi-task Representation Learning

Neural Information Processing Systems

We study adversarially robust transfer learning, wherein, given labeled data on multiple (source) tasks, the goal is to train a model with small robust error on a previously unseen (target) task. In particular, we consider a multi-task representation learning (MTRL) setting, i.e., we assume that the source and target tasks admit a simple (linear) predictor on top of a shared representation (e.g., the final hidden layer of a deep neural network). In this general setting, we provide rates on the excess adversarial (transfer) risk for Lipschitz losses and smooth nonnegative losses. These rates show that learning a representation using adversarial training on diverse tasks helps protect against inference-time attacks in data-scarce environments. Additionally, we provide novel rates for the single-task setting.