Accuracy and interpretability are two dominant features of successful predictive models. Typically, a choice must be made in favor of complex black box models such as recurrent neural networks (RNN) for accuracy versus less accurate but more interpretable traditional models such as logistic regression. This tradeoff poses challenges in medicine where both accuracy and interpretability are important. We addressed this challenge by developing the REverse Time AttentIoN model (RETAIN) for application to Electronic Health Records (EHR) data. RETAIN achieves high accuracy while remaining clinically interpretable and is based on a two-level neural attention model that detects influential past visits and significant clinical variables within those visits (e.g. key diagnoses). RETAIN mimics physician practice by attending the EHR data in a reverse time order so that recent clinical visits are likely to receive higher attention. RETAIN was tested on a large health system EHR dataset with 14 million visits completed by 263K patients over an 8 year period and demonstrated predictive accuracy and computational scalability comparable to state-of-the-art methods such as RNN, and ease of interpretability comparable to traditional models.

We develop efficient solution methods for a robust empirical risk minimization problem designed to give calibrated confidence intervals on performance and provide optimal tradeoffs between bias and variance. Our methods apply to distributionally robust optimization problems proposed by Ben-Tal et al., which put more weight on observations inducing high loss via a worst-case approach over a non-parametric uncertainty set on the underlying data distribution. Our algorithm solves the resulting minimax problems with nearly the same computational cost of stochastic gradient descent through the use of several carefully designed data structures. For a sample of size n, the per-iteration cost of our method scales as O(log n), which allows us to give optimality certificates that distributionally robust optimization provides at little extra cost compared to empirical risk minimization and stochastic gradient methods.

Stochastic gradient-based Monte Carlo methods such as stochastic gradient Langevin dynamics are useful tools for posterior inference on large scale datasets in many machine learning applications. These methods scale to large datasets by using noisy gradients calculated using a mini-batch or subset of the dataset. However, the high variance inherent in these noisy gradients degrades performance and leads to slower mixing. In this paper, we present techniques for reducing variance in stochastic gradient Langevin dynamics, yielding novel stochastic Monte Carlo methods that improve performance by reducing the variance in the stochastic gradient. We show that our proposed method has better theoretical guarantees on convergence rate than stochastic Langevin dynamics. This is complemented by impressive empirical results obtained on a variety of real world datasets, and on four different machine learning tasks (regression, classification, independent component analysis and mixture modeling). These theoretical and empirical contributions combine to make a compelling case for using variance reduction in stochastic Monte Carlo methods.

Abstract We describe a novel optimization method for finite sums (such as empirical risk minimization problems) building on the recently introduced SAGA method. Our method achieves an accelerated convergence rate on strongly convex smooth problems. Our method has only one parameter (a step size), and is radically simpler than other accelerated methods for finite sums. Additionally it can be applied when the terms are non-smooth, yielding a method applicable in many areas where operator splitting methods would traditionally be applied.

Sobolev quantities (norms, inner products, and distances) of probability density functions are important in the theory of nonparametric statistics, but have rarely been used in practice, partly due to a lack of practical estimators. They also include, as special cases, L^2 quantities which are used in many applications. We propose and analyze a family of estimators for Sobolev quantities of unknown probability density functions. We bound the finite-sample bias and variance of our estimators, finding that they are generally minimax rate-optimal. Our estimators are significantly more computationally tractable than previous estimators, and exhibit a statistical/computational trade-off allowing them to adapt to computational constraints. We also draw theoretical connections to recent work on fast two-sample testing and empirically validate our estimators on synthetic data.

In this work we develop a theory of hierarchical clustering for graphs. Our modelling assumption is that graphs are sampled from a graphon, which is a powerful and general model for generating graphs and analyzing large networks. Graphons are a far richer class of graph models than stochastic blockmodels, the primary setting for recent progress in the statistical theory of graph clustering. We define what it means for an algorithm to produce the ``correct" clustering, give sufficient conditions in which a method is statistically consistent, and provide an explicit algorithm satisfying these properties.

We propose a framework for Semi-Supervised Active Clustering framework (SSAC), where the learner is allowed to interact with a domain expert, asking whether two given instances belong to the same cluster or not. We study the query and computational complexity of clustering in this framework. We consider a setting where the expert conforms to a center-based clustering with a notion of margin. We show that there is a trade off between computational complexity and query complexity; We prove that for the case of $k$-means clustering (i.e., when the expert conforms to a solution of $k$-means), having access to relatively few such queries allows efficient solutions to otherwise NP hard problems. In particular, we provide a probabilistic polynomial-time (BPP) algorithm for clustering in this setting that asks $O\big(k^2\log k + k\log n)$ same-cluster queries and runs with time complexity $O\big(kn\log n)$ (where $k$ is the number of clusters and $n$ is the number of instances). The success of the algorithm is guaranteed for data satisfying the margin condition under which, without queries, we show that the problem is NP hard. We also prove a lower bound on the number of queries needed to have a computationally efficient clustering algorithm in this setting.

Tensor networks are approximations of high-order tensors which are efficient to work with and have been very successful for physics and mathematics applications. We demonstrate how algorithms for optimizing tensor networks can be adapted to supervised learning tasks by using matrix product states (tensor trains) to parameterize non-linear kernel learning models. For the MNIST data set we obtain less than 1% test set classification error. We discuss an interpretation of the additional structure imparted by the tensor network to the learned model.

We propose and analyze a regularization approach for structured prediction problems. We characterize a large class of loss functions that allows to naturally embed structured outputs in a linear space. We exploit this fact to design learning algorithms using a surrogate loss approach and regularization techniques. We prove universal consistency and finite sample bounds characterizing the generalization properties of the proposed method. Experimental results are provided to demonstrate the practical usefulness of the proposed approach.

Adaptive stochastic gradient methods such as ADAGRAD have gained popularity in particular for training deep neural networks. The most commonly used and studied variant maintains a diagonal matrix approximation to second order information by accumulating past gradients which are used to tune the step size adaptively. In certain situations the full-matrix variant of ADAGRAD is expected to attain better performance, however in high dimensions it is computationally impractical. We present ADA-LR and RADAGRAD two computationally efficient approximations to full-matrix ADAGRAD based on randomized dimensionality reduction. They are able to capture dependencies between features and achieve similar performance to full-matrix ADAGRAD but at a much smaller computational cost. We show that the regret of ADA-LR is close to the regret of full-matrix ADAGRAD which can have an up-to exponentially smaller dependence on the dimension than the diagonal variant. Empirically, we show that ADA-LR and RADAGRAD perform similarly to full-matrix ADAGRAD. On the task of training convolutional neural networks as well as recurrent neural networks, RADAGRAD achieves faster convergence than diagonal ADAGRAD.