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 present a novel deep recurrent neural network architecture that learns to build implicit plans in an end-to-end manner purely by interacting with an environment in reinforcement learning setting. The network builds an internal plan, which is continuously updated upon observation of the next input from the environment. It can also partition this internal representation into contiguous sub-sequences by learning for how long the plan can be committed to -- i.e. followed without replaning. Combining these properties, the proposed model, dubbed STRategic Attentive Writer (STRAW) can learn high-level, temporally abstracted macro-actions of varying lengths that are solely learnt from data without any prior information. These macro-actions enable both structured exploration and economic computation. We experimentally demonstrate that STRAW delivers strong improvements on several ATARI games by employing temporally extended planning strategies (e.g. Ms. Pacman and Frostbite). It is at the same time a general algorithm that can be applied on any sequence data. To that end, we also show that when trained on text prediction task, STRAW naturally predicts frequent n-grams (instead of macro-actions), demonstrating the generality of the approach.

Optimal transport (OT) defines a powerful framework to compare probability distributions in a geometrically faithful way. However, the practical impact of OT is still limited because of its computational burden. We propose a new class of stochastic optimization algorithms to cope with large-scale problems routinely encountered in machine learning applications. These methods are able to manipulate arbitrary distributions (either discrete or continuous) by simply requiring to be able to draw samples from them, which is the typical setup in high-dimensional learning problems. This alleviates the need to discretize these densities, while giving access to provably convergent methods that output the correct distance without discretization error. These algorithms rely on two main ideas: (a) the dual OT problem can be re-cast as the maximization of an expectation; (b) entropic regularization of the primal OT problem results in a smooth dual optimization optimization which can be addressed with algorithms that have a provably faster convergence. We instantiate these ideas in three different computational setups: (i) when comparing a discrete distribution to another, we show that incremental stochastic optimization schemes can beat the current state of the art finite dimensional OT solver (Sinkhorn's algorithm) ; (ii) when comparing a discrete distribution to a continuous density, a re-formulation (semi-discrete) of the dual program is amenable to averaged stochastic gradient descent, leading to better performance than approximately solving the problem by discretization ; (iii) when dealing with two continuous densities, we propose a stochastic gradient descent over a reproducing kernel Hilbert space (RKHS). This is currently the only known method to solve this problem, and is more efficient than discretizing beforehand the two densities. We backup these claims on a set of discrete, semi-discrete and continuous benchmark problems.

We present discriminative Gaifman models, a novel family of relational machine learning models. Gaifman models learn feature representations bottom up from representations of locally connected and bounded-size regions of knowledge bases (KBs). Considering local and bounded-size neighborhoods of knowledge bases renders logical inference and learning tractable, mitigates the problem of overfitting, and facilitates weight sharing. Gaifman models sample neighborhoods of knowledge bases so as to make the learned relational models more robust to missing objects and relations which is a common situation in open-world KBs. We present the core ideas of Gaifman models and apply them to large-scale relational learning problems. We also discuss the ways in which Gaifman models relate to some existing relational machine learning approaches.

Deep neural networks (DNNs) have demonstrated state-of-the-art results on many pattern recognition tasks, especially vision classification problems. Understanding the inner workings of such computational brains is both fascinating basic science that is interesting in its own right--similar to why we study the human brain--and will enable researchers to further improve DNNs. One path to understanding how a neural network functions internally is to study what each of its neurons has learned to detect. One such method is called activation maximization (AM), which synthesizes an input (e.g. an image) that highly activates a neuron. Here we dramatically improve the qualitative state of the art of activation maximization by harnessing a powerful, learned prior: a deep generator network (DGN). The algorithm (1) generates qualitatively state-of-the-art synthetic images that look almost real, (2) reveals the features learned by each neuron in an interpretable way, (3) generalizes well to new datasets and somewhat well to different network architectures without requiring the prior to be relearned, and (4) can be considered as a high-quality generative method (in this case, by generating novel, creative, interesting, recognizable images).

When recovering an unknown signal from noisy measurements, the computational difficulty of performing optimal Bayesian MMSE (minimum mean squared error) inference often necessitates the use of maximum a posteriori (MAP) inference, a special case of regularized M-estimation, as a surrogate. However, MAP is suboptimal in high dimensions, when the number of unknown signal components is similar to the number of measurements. In this work we demonstrate, when the signal distribution and the likelihood function associated with the noise are both log-concave, that optimal MMSE performance is asymptotically achievable via another M-estimation procedure. This procedure involves minimizing convex loss and regularizer functions that are nonlinearly smoothed versions of the widely applied MAP optimization problem. Our findings provide a new heuristic derivation and interpretation for recent optimal M-estimators found in the setting of linear measurements and additive noise, and further extend these results to nonlinear measurements with non-additive noise. We numerically demonstrate superior performance of our optimal M-estimators relative to MAP. Overall, at the heart of our work is the revelation of a remarkable equivalence between two seemingly very different computational problems: namely that of high dimensional Bayesian integration underlying MMSE inference, and high dimensional convex optimization underlying M-estimation. In essence we show that the former difficult integral may be computed by solving the latter, simpler optimization problem.

We study the problem of efficiently estimating the coefficients of generalized linear models (GLMs) in the large-scale setting where the number of observations n is much larger than the number of predictors p, i.e. n p 1. We show that in GLMs with random (not necessarily Gaussian) design, the GLM coefficients are approximately proportional to the corresponding ordinary least squares (OLS) coefficients. Usingthis relation, we design an algorithm that achieves the same accuracy as the maximum likelihood estimator (MLE) through iterations that attain up to a cubic convergence rate, and that are cheaper than any batch optimization algorithm by at least a factor of O(p). We provide theoretical guarantees for our algorithm, and analyze the convergence behavior in terms of data dimensions. Finally, we demonstrate the performance of our algorithm through extensive numerical studies on large-scale real and synthetic datasets, and show that it achieves the highest performance compared to several other widely used optimization algorithms.

Calcium imaging is an important technique for monitoring the activity of thousands of neurons simultaneously. As calcium imaging datasets grow in size, automated detection of individual neurons is becoming important. Here we apply a supervised learning approach to this problem and show that convolutional networks can achieve near-human accuracy and superhuman speed. Accuracy is superior to the popular PCA/ICA method based on precision and recall relative to ground truth annotation by a human expert. These results suggest that convolutional networks are an efficient and flexible tool for the analysis of large-scale calcium imaging data.

Collaborative filtering is a popular technique to infer users' preferences on new content based on the collective information of all users preferences. Recommender systems then use this information to make personalized suggestions to users. When users accept these recommendations it creates a feedback loop in the recommender system, and these loops iteratively influence the collaborative filtering algorithm's predictions over time. We investigate whether it is possible to identify items affected by these feedback loops. We state sufficient assumptions to deconvolve the feedback loops while keeping the inverse solution tractable. We furthermore develop a metric to unravel the recommender system's influence on the entire user-item rating matrix. We use this metric on synthetic and real-world datasets to (1) identify the extent to which the recommender system affects the final rating matrix, (2) rank frequently recommended items, and (3) distinguish whether a user's rated item was recommended or an intrinsic preference. Our results indicate that it is possible to recover the ratings matrix of intrinsic user preferences using a single snapshot of the ratings matrix without any temporal information.

We consider log-supermodular models on binary variables, which are probabilistic models with negative log-densities which are submodular. These models provide probabilistic interpretations of common combinatorial optimization tasks such as image segmentation. In this paper, we focus primarily on parameter estimation in the models from known upper-bounds on the intractable log-partition function. We show that the bound based on separable optimization on the base polytope of the submodular function is always inferior to a bound based on ``perturb-and-MAP'' ideas. Then, to learn parameters, given that our approximation of the log-partition function is an expectation (over our own randomization), we use a stochastic subgradient technique to maximize a lower-bound on the log-likelihood. This can also be extended to conditional maximum likelihood. We illustrate our new results in a set of experiments in binary image denoising, where we highlight the flexibility of a probabilistic model to learn with missing data.