Learning a decision tree from data is a difficult optimization problem. The most widespread algorithm in practice, dating to the 1980s, is based on a greedy growth of the tree structure by recursively splitting nodes, and possibly pruning back the final tree. The parameters (decision function) of an internal node are approximately estimated by minimizing an impurity measure. We give an algorithm that, given an input tree (its structure and the parameter values at its nodes), produces a new tree with the same or smaller structure but new parameter values that provably lower or leave unchanged the misclassification error. This can be applied to both axis-aligned and oblique trees and our experiments show it consistently outperforms various other algorithms while being highly scalable to large datasets and trees. Further, the same algorithm can handle a sparsity penalty, so it can learn sparse oblique trees, having a structure that is a subset of the original tree and few nonzero parameters. This combines the best of axis-aligned and oblique trees: flexibility to model correlated data, low generalization error, fast inference and interpretable nodes that involve only a few features in their decision.

We develop an efficient and provably no-regret Bayesian optimization (BO) algorithm for optimization of black-box functions in high dimensions. We assume a generalized additive model with possibly overlapping variable groups. When the groups do not overlap, we are able to provide the first provably no-regret \emph{polynomial time} (in the number of evaluations of the acquisition function) algorithm for solving high dimensional BO. To make the optimization efficient and feasible, we introduce a novel deterministic Fourier Features approximation based on numerical integration with detailed analysis for the squared exponential kernel. The error of this approximation decreases \emph{exponentially} with the number of features, and allows for a precise approximation of both posterior mean and variance. In addition, the kernel matrix inversion improves in its complexity from cubic to essentially linear in the number of data points measured in basic arithmetic operations.

We study the implicit regularization properties of optimization techniques by explicitly connecting their optimization paths to the regularization paths of ``corresponding'' regularized problems. This surprising connection shows that iterates of optimization techniques such as gradient descent and mirror descent are \emph{pointwise} close to solutions of appropriately regularized objectives. While such a tight connection between optimization and regularization is of independent intellectual interest, it also has important implications for machine learning: we can port results from regularized estimators to optimization, and vice versa. We investigate one key consequence, that borrows from the well-studied analysis of regularized estimators, to then obtain tight excess risk bounds of the iterates generated by optimization techniques.

Bayesian optimization usually assumes that a Bayesian prior is given. However, the strong theoretical guarantees in Bayesian optimization are often regrettably compromised in practice because of unknown parameters in the prior. In this paper, we adopt a variant of empirical Bayes and show that, by estimating the Gaussian process prior from offline data sampled from the same prior and constructing unbiased estimators of the posterior, variants of both GP-UCB and \emph{probability of improvement} achieve a near-zero regret bound, which decreases to a constant proportional to the observational noise as the number of offline data and the number of online evaluations increase. Empirically, we have verified our approach on challenging simulated robotic problems featuring task and motion planning.

We advocate Laplacian K-modes for joint clustering and density mode finding, and propose a concave-convex relaxation of the problem, which yields a parallel algorithm that scales up to large datasets and high dimensions. We optimize a tight bound (auxiliary function) of our relaxation, which, at each iteration, amounts to computing an independent update for each cluster-assignment variable, with guar- anteed convergence. Therefore, our bound optimizer can be trivially distributed for large-scale data sets. Furthermore, we show that the density modes can be obtained as byproducts of the assignment variables via simple maximum-value operations whose additional computational cost is linear in the number of data points. Our formulation does not need storing a full affinity matrix and computing its eigenvalue decomposition, neither does it perform expensive projection steps and Lagrangian-dual inner iterates for the simplex constraints of each point. Fur- thermore, unlike mean-shift, our density-mode estimation does not require inner- loop gradient-ascent iterates. It has a complexity independent of feature-space dimension, yields modes that are valid data points in the input set and is appli- cable to discrete domains as well as arbitrary kernels. We report comprehensive experiments over various data sets, which show that our algorithm yields very competitive performances in term of optimization quality (i.e., the value of the discrete-variable objective at convergence) and clustering accuracy.

We present an end-to-end framework for solving the Vehicle Routing Problem (VRP) using reinforcement learning. In this approach, we train a single policy model that finds near-optimal solutions for a broad range of problem instances of similar size, only by observing the reward signals and following feasibility rules. We consider a parameterized stochastic policy, and by applying a policy gradient algorithm to optimize its parameters, the trained model produces the solution as a sequence of consecutive actions in real time, without the need to re-train for every new problem instance. On capacitated VRP, our approach outperforms classical heuristics and Google's OR-Tools on medium-sized instances in solution quality with comparable computation time (after training). We demonstrate how our approach can handle problems with split delivery and explore the effect of such deliveries on the solution quality. Our proposed framework can be applied to other variants of the VRP such as the stochastic VRP, and has the potential to be applied more generally to combinatorial optimization problems.

Adaptive gradient methods that rely on scaling gradients down by the square root of exponential moving averages of past squared gradients, such RMSProp, Adam, Adadelta have found wide application in optimizing the nonconvex problems that arise in deep learning. However, it has been recently demonstrated that such methods can fail to converge even in simple convex optimization settings. In this work, we provide a new analysis of such methods applied to nonconvex stochastic optimization problems, characterizing the effect of increasing minibatch size. Our analysis shows that under this scenario such methods do converge to stationarity up to the statistical limit of variance in the stochastic gradients (scaled by a constant factor). In particular, our result implies that increasing minibatch sizes enables convergence, thus providing a way to circumvent the non-convergence issues. Furthermore, we provide a new adaptive optimization algorithm, Yogi, which controls the increase in effective learning rate, leading to even better performance with similar theoretical guarantees on convergence. Extensive experiments show that Yogi with very little hyperparameter tuning outperforms methods such as Adam in several challenging machine learning tasks.

An Euler discretization of the Langevin diffusion is known to converge to the global minimizers of certain convex and non-convex optimization problems. We show that this property holds for any suitably smooth diffusion and that different diffusions are suitable for optimizing different classes of convex and non-convex functions. This allows us to design diffusions suitable for globally optimizing convex and non-convex functions not covered by the existing Langevin theory. Our non-asymptotic analysis delivers computable optimization and integration error bounds based on easily accessed properties of the objective and chosen diffusion. Central to our approach are new explicit Stein factor bounds on the solutions of Poisson equations. We complement these results with improved optimization guarantees for targets other than the standard Gibbs measure.

The problem of estimating an unknown signal, $\mathbf x_0\in \mathbb R^n$, from a vector $\mathbf y\in \mathbb R^m$ consisting of $m$ magnitude-only measurements of the form $y_i=|\mathbf a_i\mathbf x_0|$, where $\mathbf a_i$'s are the rows of a known measurement matrix $\mathbf A$ is a classical problem known as phase retrieval. This problem arises when measuring the phase is costly or altogether infeasible. In many applications in machine learning, signal processing, statistics, etc., the underlying signal has certain structure (sparse, low-rank, finite alphabet, etc.), opening of up the possibility of recovering $\mathbf x_0$ from a number of measurements smaller than the ambient dimension, i.e., $m

We study the decades-old problem of online portfolio management and propose the first algorithm with logarithmic regret that is not based on Cover's Universal Portfolio algorithm and admits much faster implementation. Specifically Universal Portfolio enjoys optimal regret $\mathcal{O}(N\ln T)$ for $N$ financial instruments over $T$ rounds, but requires log-concave sampling and has a large polynomial running time. Our algorithm, on the other hand, ensures a slightly larger but still logarithmic regret of $\mathcal{O}(N^2(\ln T)^4)$, and is based on the well-studied Online Mirror Descent framework with a novel regularizer that can be implemented via standard optimization methods in time $\mathcal{O}(TN^{2.5})$ per round. The regret of all other existing works is either polynomial in $T$ or has a potentially unbounded factor such as the inverse of the smallest price relative.