Random forests are a statistical learning method widely used in many areas of scientific research essentially for its ability to learn complex relationship between input and output variables and also its capacity to handle high-dimensional data. However, data are increasingly complex with repeated measures of omics, images leading to shapes, curves... Random forests method is not specifically tailored for them. In this paper, we introduce Fr\'echet trees and Fr\'echet random forests, which allow to manage data for which input and output variables take values in general metric spaces (which can be unordered). To this end, a new way of splitting the nodes of trees is introduced and the prediction procedures of trees and forests are generalized. Then, random forests out-of-bag error and variable importance score are naturally adapted. Finally, the method is studied in the special case of regression on curve shapes, both within a simulation study and a real dataset from an HIV vaccine trial.

This paper considers generalized linear models using rule-based features, also referred to as rule ensembles, for regression and probabilistic classification. Rules facilitate model interpretation while also capturing nonlinear dependences and interactions. Our problem formulation accordingly trades off rule set complexity and prediction accuracy. Column generation is used to optimize over an exponentially large space of rules without pre-generating a large subset of candidates or greedily boosting rules one by one. The column generation subproblem is solved using either integer programming or a heuristic optimizing the same objective. In experiments involving logistic and linear regression, the proposed methods obtain better accuracy-complexity trade-offs than existing rule ensemble algorithms. At one end of the trade-off, the methods are competitive with less interpretable benchmark models.

We propose and investigate new complementary methodologies for estimating predictive variance networks in regression neural networks. We derive a locally aware mini-batching scheme that result in sparse robust gradients, and show how to make unbiased weight updates to a variance network. Further, we formulate a heuristic for robustly fitting both the mean and variance networks post hoc. Finally, we take inspiration from posterior Gaussian processes and propose a network architecture with similar extrapolation properties to Gaussian processes. The proposed methodologies are complementary, and improve upon baseline methods individually. Experimentally, we investigate the impact on predictive uncertainty on multiple datasets and tasks ranging from regression, active learning and generative modeling. Experiments consistently show significant improvements in predictive uncertainty estimation over state-of-the-art methods across tasks and datasets.

Zero Emission Vehicles (ZEV) play an important role in the decarbonization of the transportation sector. For a wider adoption of ZEVs, providing a reliable infrastructure is critical. We present a machine learning approach that uses unsupervised temporal clustering algorithm along with survey analysis to determine infrastructure performance and reliability of alternative fuels. We illustrate this approach for the hydrogen fueling stations in California, but this can be generalized for other regions and fuels.

Tensor decomposition is a well-known tool for multiway data analysis. This work proposes using stochastic gradients for efficient generalized canonical polyadic (GCP) tensor decomposition of large-scale tensors. GCP tensor decomposition is a recently proposed version of tensor decomposition that allows for a variety of loss functions such as logistic loss for binary data or Huber loss for robust estimation. The stochastic gradient is formed from randomly sampled elements of the tensor. For dense tensors, we simply use uniform sampling. For sparse tensors, we propose two types of stratified sampling that give precedence to sampling nonzeros. Numerical results demonstrate the advantages of the proposed approach and its scalability to large-scale problems.

Policy gradients methods are perhaps the most widely used class of reinforcement learning algorithms. These methods apply to complex, poorly understood, control problems by performing stochastic gradient descent over a parameterized class of polices. Unfortunately, even for simple control problems solvable by classical techniques, policy gradient algorithms face non-convex optimization problems and are widely understood to converge only to local minima. This work identifies structural properties -- shared by finite MDPs and several classic control problems -- which guarantee that policy gradient objective function has no suboptimal local minima despite being non-convex. When these assumptions are relaxed, our work gives conditions under which any local minimum is near-optimal, where the error bound depends on a notion of the expressive capacity of the policy class.

We provide improved convergence rates for various \emph{non-smooth} optimization problems via higher-order accelerated methods. In the case of $\ell_\infty$ regression, we achieves an $O(\epsilon^{-4/5})$ iteration complexity, breaking the $O(\epsilon^{-1})$ barrier so far present for previous methods. We arrive at a similar rate for the problem of $\ell_1$-SVM, going beyond what is attainable by first-order methods with prox-oracle access for non-smooth non-strongly convex problems. We further show how to achieve even faster rates by introducing higher-order regularization. Our results rely on recent advances in near-optimal accelerated methods for higher-order smooth convex optimization. In particular, we extend Nesterov's smoothing technique to show that the standard softmax approximation is not only smooth in the usual sense, but also \emph{higher-order} smooth. With this observation in hand, we provide the first example of higher-order acceleration techniques yielding faster rates for \emph{non-smooth} optimization, to the best of our knowledge.

Wasserstein distributionally robust optimization (DRO) estimators are obtained as solutions of min-max problems in which the statistician selects a parameter minimizing the worst-case loss among all probability models within a certain distance (in a Wasserstein sense) from the underlying empirical measure. While motivated by the need to identify model parameters (or) decision choices that are robust to model uncertainties and misspecification, the Wasserstein DRO estimators recover a wide range of regularized estimators, including square-root LASSO and support vector machines, among others, as particular cases. This paper studies the asymptotic normality of underlying DRO estimators as well as the properties of an optimal (in a suitable sense) confidence region induced by the Wasserstein DRO formulation.

We study methods for simultaneous analysis of many noisy experiments in the presence of rich covariate information. The goal of the analyst is to optimally estimate the true effect underlying each experiment. Both the noisy experimental results and the auxiliary covariates are useful for this purpose, but neither data source on its own captures all the information available to the analyst. In this paper, we propose a flexible plug-in empirical Bayes estimator that synthesizes both sources of information and may leverage any black-box predictive model. We show that our approach is within a constant factor of minimax for a simple data-generating model. Furthermore, we establish robust convergence guarantees for our method that hold under considerable generality, and exhibit promising empirical performance on both real and simulated data.

Data-driven models are subject to model errors due to limited and noisy training data. Key to the application of such models in safety-critical domains is the quantification of their model error. Gaussian processes provide such a measure and uniform error bounds have been derived, which allow safe control based on these models. However, existing error bounds require restrictive assumptions. In this paper, we employ the Gaussian process distribution and continuity arguments to derive a novel uniform error bound under weaker assumptions. Furthermore, we demonstrate how this distribution can be used to derive probabilistic Lipschitz constants and analyze the asymptotic behavior of our bound. Finally, we derive safety conditions for the control of unknown dynamical systems based on Gaussian process models and evaluate them in simulations of a robotic manipulator.