We study a new method (``Diverse Ensemble Evolution (DivE$^2$)'') to train an ensemble of machine learning models that assigns data to models at each training epoch based on each model's current expertise and an intra- and inter-model diversity reward. DivE$^2$ schedules, over the course of training epochs, the relative importance of these characteristics; it starts by selecting easy samples for each model, and then gradually adjusts towards the models having specialized and complementary expertise on subsets of the training data, thereby encouraging high accuracy of the ensemble. We utilize an intra-model diversity term on data assigned to each model, and an inter-model diversity term on data assigned to pairs of models, to penalize both within-model and cross-model redundancy. We formulate the data-model marriage problem as a generalized bipartite matching, represented as submodular maximization subject to two matroid constraints. DivE$^2$ solves a sequence of continuous-combinatorial optimizations with slowly varying objectives and constraints. The combinatorial part handles the data-model marriage while the continuous part updates model parameters based on the assignments. In experiments, DivE$^2$ outperforms other ensemble training methods under a variety of model aggregation techniques, while also maintaining competitive efficiency.

The process of learning new behaviors over time is a problem of great interest in both neuroscience and artificial intelligence. However, most standard analyses of animal training data either treat behavior as fixed or track only coarse performance statistics (e.g., accuracy, bias), providing limited insight into the evolution of the policies governing behavior. To overcome these limitations, we propose a dynamic psychophysical model that efficiently tracks trial-to-trial changes in behavior over the course of training. Our model consists of a dynamic logistic regression model, parametrized by a set of time-varying weights that express dependence on sensory stimuli as well as task-irrelevant covariates, such as stimulus, choice, and answer history. Our implementation scales to large behavioral datasets, allowing us to infer 500K parameters (e.g. 10 weights over 50K trials) in minutes on a desktop computer. We optimize hyperparameters governing how rapidly each weight evolves over time using the decoupled Laplace approximation, an efficient method for maximizing marginal likelihood in non-conjugate models. To illustrate performance, we apply our method to psychophysical data from both rats and human subjects learning a delayed sensory discrimination task. The model successfully tracks the psychophysical weights of rats over the course of training, capturing day-to-day and trial-to-trial fluctuations that underlie changes in performance, choice bias, and dependencies on task history. Finally, we investigate why rats frequently make mistakes on easy trials, and suggest that apparent lapses can be explained by sub-optimal weighting of known task covariates.

Many applications of machine learning involve the analysis of large data frames -- matrices collecting heterogeneous measurements (binary, numerical, counts, etc.) across samples -- with missing values. Low-rank models, as studied by Udell et al. (2016), are popular in this framework for tasks such as visualization, clustering and missing value imputation. Yet, available methods with statistical guarantees and efficient optimization do not allow explicit modeling of main additive effects such as row and column, or covariate effects. In this paper, we introduce a low-rank interaction and sparse additive effects (LORIS) model which combines matrix regression on a dictionary and low-rank design, to estimate main effects and interactions simultaneously. We provide statistical guarantees in the form of upper bounds on the estimation error of both components. Then, we introduce a mixed coordinate gradient descent (MCGD) method which provably converges sub-linearly to an optimal solution and is computationally efficient for large scale data sets. We show on simulated and survey data that the method has a clear advantage over current practices.

One of the popular approaches for low-rank tensor completion is to use the latent trace norm regularization. However, most existing works in this direction learn a sparse combination of tensors. In this work, we fill this gap by proposing a variant of the latent trace norm that helps in learning a non-sparse combination of tensors. We develop a dual framework for solving the low-rank tensor completion problem. We first show a novel characterization of the dual solution space with an interesting factorization of the optimal solution. Overall, the optimal solution is shown to lie on a Cartesian product of Riemannian manifolds. Furthermore, we exploit the versatile Riemannian optimization framework for proposing computationally efficient trust region algorithm. The experiments illustrate the efficacy of the proposed algorithm on several real-world datasets across applications.

In this paper, we study the problem of escaping from saddle points in smooth nonconvex optimization problems subject to a convex set $\mathcal{C}$. We propose a generic framework that yields convergence to a second-order stationary point of the problem, if the convex set $\mathcal{C}$ is simple for a quadratic objective function. Specifically, our results hold if one can find a $\rho$-approximate solution of a quadratic program subject to $\mathcal{C}$ in polynomial time, where $\rho<1$ is a positive constant that depends on the structure of the set $\mathcal{C}$. Under this condition, we show that the sequence of iterates generated by the proposed framework reaches an $(\epsilon,\gamma)$-second order stationary point (SOSP) in at most $\mathcal{O}(\max\{\epsilon^{-2},\rho^{-3}\gamma^{-3}\})$ iterations. We further characterize the overall complexity of reaching an SOSP when the convex set $\mathcal{C}$ can be written as a set of quadratic constraints and the objective function Hessian has a specific structure over the convex $\mathcal{C}$. Finally, we extend our results to the stochastic setting and characterize the number of stochastic gradient and Hessian evaluations to reach an $(\epsilon,\gamma)$-SOSP.

The state-of-the-art methods for solving optimization problems in big dimensions are variants of randomized coordinate descent (RCD). In this paper we introduce a fundamentally new type of acceleration strategy for RCD based on the augmentation of the set of coordinate directions by a few spectral or conjugate directions. As we increase the number of extra directions to be sampled from, the rate of the method improves, and interpolates between the linear rate of RCD and a linear rate independent of the condition number. We develop and analyze also inexact variants of these methods where the spectral and conjugate directions are allowed to be approximate only. We motivate the above development by proving several negative results which highlight the limitations of RCD with importance sampling.

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.