As a framework for sequential decision-making, Reinforcement Learning (RL) has been regarded as an essential component leading to Artificial General Intelligence (AGI). However, RL is often criticized for having the same training environment as the test one, which also hinders its application in the real world. To mitigate this problem, Distributionally Robust RL (DRRL) is proposed to improve the worst performance in a set of environments that may contain the unknown test environment. Due to the nonlinearity of the robustness goal, most of the previous work resort to the model-based approach, learning with either an empirical distribution learned from the data or a simulator that can be sampled infinitely, which limits their applications in simple dynamics environments. In contrast, we attempt to design a DRRL algorithm that can be trained along a single trajectory, i.e., no repeated sampling from a state. Based on the standard Q-learning, we propose distributionally robust Q-learning with the single trajectory (DRQ) and its average-reward variant named differential DRQ. We provide asymptotic convergence guarantees and experiments for both settings, demonstrating their superiority in the perturbed environments against the non-robust ones.

In this paper, we study the design and analysis of a class of efficient algorithms for computing the Gromov-Wasserstein (GW) distance tailored to large-scale graph learning tasks. Armed with the Luo-Tseng error bound condition (Luo and Tseng, 1992), two proposed algorithms, called Bregman Alternating Projected Gradient (BAPG) and hybrid Bregman Proximal Gradient (hBPG) enjoy the convergence guarantees. Upon task-specific properties, our analysis further provides novel theoretical insights to guide how to select the best-fit method. As a result, we are able to provide comprehensive experiments to validate the effectiveness of our methods on a host of tasks, including graph alignment, graph partition, and shape matching. In terms of both wall-clock time and modeling performance, the proposed methods achieve state-of-the-art results.

Using data from cardiovascular surgery patients with long and highly variable post-surgical lengths of stay (LOS), we develop a modeling framework to reduce recovery unit congestion. We estimate the LOS and its probability distribution using machine learning models, schedule procedures on a rolling basis using a variety of optimization models, and estimate performance with simulation. The machine learning models achieved only modest LOS prediction accuracy, despite access to a very rich set of patient characteristics. Compared to the current paper-based system used in the hospital, most optimization models failed to reduce congestion without increasing wait times for surgery. A conservative stochastic optimization with sufficient sampling to capture the long tail of the LOS distribution outperformed the current manual process and other stochastic and robust optimization approaches. These results highlight the perils of using oversimplified distributional models of LOS for scheduling procedures and the importance of using optimization methods well-suited to dealing with long-tailed behavior.

The optimal design of experiments typically involves solving an NP-hard combinatorial optimization problem. In this paper, we aim to develop a globally convergent and practically efficient optimization algorithm. Specifically, we consider a setting where the pre-treatment outcome data is available and the synthetic control estimator is invoked. The average treatment effect is estimated via the difference between the weighted average outcomes of the treated and control units, where the weights are learned from the observed data. {Under this setting, we surprisingly observed that the optimal experimental design problem could be reduced to a so-called \textit{phase synchronization} problem.} We solve this problem via a normalized variant of the generalized power method with spectral initialization. On the theoretical side, we establish the first global optimality guarantee for experiment design when pre-treatment data is sampled from certain data-generating processes. Empirically, we conduct extensive experiments to demonstrate the effectiveness of our method on both the US Bureau of Labor Statistics and the Abadie-Diemond-Hainmueller California Smoking Data. In terms of the root mean square error, our algorithm surpasses the random design by a large margin.

We study the problem of transfer learning, observing that previous efforts to understand its information-theoretic limits do not fully exploit the geometric structure of the source and target domains. In contrast, our study first illustrates the benefits of incorporating a natural geometric structure within a linear regression model, which corresponds to the generalized eigenvalue problem formed by the Gram matrices of both domains. We next establish a finite-sample minimax lower bound, propose a refined model interpolation estimator that enjoys a matching upper bound, and then extend our framework to multiple source domains and generalized linear models. Surprisingly, as long as information is available on the distance between the source and target parameters, negative-transfer does not occur. Simulation studies show that our proposed interpolation estimator outperforms state-of-the-art transfer learning methods in both moderate- and high-dimensional settings.

In this paper, we study the statistical limits of deep learning techniques for solving elliptic partial differential equations (PDEs) from random samples using the Deep Ritz Method (DRM) and Physics-Informed Neural Networks (PINNs). To simplify the problem, we focus on a prototype elliptic PDE: the Schr\"odinger equation on a hypercube with zero Dirichlet boundary condition, which has wide application in the quantum-mechanical systems. We establish upper and lower bounds for both methods, which improves upon concurrently developed upper bounds for this problem via a fast rate generalization bound. We discover that the current Deep Ritz Methods is sub-optimal and propose a modified version of it. We also prove that PINN and the modified version of DRM can achieve minimax optimal bounds over Sobolev spaces. Empirically, following recent work which has shown that the deep model accuracy will improve with growing training sets according to a power law, we supply computational experiments to show a similar behavior of dimension dependent power law for deep PDE solvers.

Many machine learning tasks that involve predicting an output response can be solved by training a weighted regression model. Unfortunately, the predictive power of this type of models may severely deteriorate under low sample sizes or under covariate perturbations. Reweighting the training samples has aroused as an effective mitigation strategy to these problems. In this paper, we propose a novel and coherent scheme for kernel-reweighted regression by reparametrizing the sample weights using a doubly non-negative matrix. When the weighting matrix is confined in an uncertainty set using either the log-determinant divergence or the Bures-Wasserstein distance, we show that the adversarially reweighted estimate can be solved efficiently using first-order methods. Numerical experiments show that our reweighting strategy delivers promising results on numerous datasets.

We consider statistical methods which invoke a min-max distributionally robust formulation to extract good out-of-sample performance in data-driven optimization and learning problems. Acknowledging the distributional uncertainty in learning from limited samples, the min-max formulations introduce an adversarial inner player to explore unseen covariate data. The resulting Distributionally Robust Optimization (DRO) formulations, which include Wasserstein DRO formulations (our main focus), are specified using optimal transportation phenomena. Upon describing how these infinite-dimensional min-max problems can be approached via a finite-dimensional dual reformulation, the tutorial moves into its main component, namely, explaining a generic recipe for optimally selecting the size of the adversary's budget. This is achieved by studying the limit behavior of an optimal transport projection formulation arising from an inquiry on the smallest confidence region that includes the unknown population risk minimizer. Incidentally, this systematic prescription coincides with those in specific examples in high-dimensional statistics and results in error bounds that are free from the curse of dimensions. Equipped with this prescription, we present a central limit theorem for the DRO estimator and provide a recipe for constructing compatible confidence regions that are useful for uncertainty quantification. The rest of the tutorial is devoted to insights into the nature of the optimizers selected by the min-max formulations and additional applications of optimal transport projections.

We present a statistical testing framework to detect if a given machine learning classifier fails to satisfy a wide range of group fairness notions. The proposed test is a flexible, interpretable, and statistically rigorous tool for auditing whether exhibited biases are intrinsic to the algorithm or due to the randomness in the data. The statistical challenges, which may arise from multiple impact criteria that define group fairness and which are discontinuous on model parameters, are conveniently tackled by projecting the empirical measure onto the set of group-fair probability models using optimal transport. This statistic is efficiently computed using linear programming and its asymptotic distribution is explicitly obtained. The proposed framework can also be used to test for testing composite fairness hypotheses and fairness with multiple sensitive attributes. The optimal transport testing formulation improves interpretability by characterizing the minimal covariate perturbations that eliminate the bias observed in the audit.

Least squares estimators, when trained on a few target domain samples, may predict poorly. Supervised domain adaptation aims to improve the predictive accuracy by exploiting additional labeled training samples from a source distribution that is close to the target distribution. Given available data, we investigate novel strategies to synthesize a family of least squares estimator experts that are robust with regard to moment conditions. When these moment conditions are specified using Kullback-Leibler or Wasserstein-type divergences, we can find the robust estimators efficiently using convex optimization. We use the Bernstein online aggregation algorithm on the proposed family of robust experts to generate predictions for the sequential stream of target test samples. Numerical experiments on real data show that the robust strategies may outperform non-robust interpolations of the empirical least squares estimators.