As datasets grow richer, an important challenge is to leverage the full features in the data to maximize the number of useful discoveries while controlling for false positives. We address this problem in the context of multiple hypotheses testing, where for each hypothesis, we observe a p-value along with a set of features specific to that hypothesis. For example, in genetic association studies, each hypothesis tests the correlation between a variant and the trait. We have a rich set of features for each variant (e.g. its location, conservation, epigenetics etc.) which could inform how likely the variant is to have a true association. However popular testing approaches, such as Benjamini-Hochberg's procedure (BH) and independent hypothesis weighting (IHW), either ignore these features or assume that the features are categorical. We propose a new algorithm, NeuralFDR, which automatically learns a discovery threshold as a function of all the hypothesis features. We parametrize the discovery threshold as a neural network, which enables flexible handling of multi-dimensional discrete and continuous features as well as efficient end-to-end optimization. We prove that NeuralFDR has strong false discovery rate (FDR) guarantees, and show that it makes substantially more discoveries in synthetic and real datasets. Moreover, we demonstrate that the learned discovery threshold is directly interpretable.

Alternating direction method of multipliers (ADMM) has received tremendous interest for solving numerous problems in machine learning, statistics and signal processing. However, it is known that the performance of ADMM and many of its variants is very sensitive to the penalty parameter of a quadratic penalty applied to the equality constraints. Although several approaches have been proposed for dynamically changing this parameter during the course of optimization, they do not yield theoretical improvement in the convergence rate and are not directly applicable to stochastic ADMM. In this paper, we develop a new ADMM and its linearized variant with a new adaptive scheme to update the penalty parameter. Our methods can be applied under both deterministic and stochastic optimization settings for structured non-smooth objective function. The novelty of the proposed scheme lies at that it is adaptive to a local sharpness property of the objective function, which marks the key difference from previous adaptive scheme that adjusts the penalty parameter per-iteration based on certain conditions on iterates. On theoretical side, given the local sharpness characterized by an exponent $\theta\in(0, 1]$, we show that the proposed ADMM enjoys an improved iteration complexity of $\widetilde O(1/\epsilon^{1-\theta})$\footnote{$\widetilde O()$ suppresses a logarithmic factor.} in the deterministic setting and an iteration complexity of $\widetilde O(1/\epsilon^{2(1-\theta)})$ in the stochastic setting without smoothness and strong convexity assumptions. The complexity in either setting improves that of the standard ADMM which only uses a fixed penalty parameter. On the practical side, we demonstrate that the proposed algorithms converge comparably to, if not much faster than, ADMM with a fine-tuned fixed penalty parameter.

Many machine learning tools for regression are based on recursive partitioning of the covariate space into smaller regions, where the regression function can be estimated locally. Among these, regression trees and their ensembles have demonstrated impressive empirical performance. In this work, we shed light on the machinery behind Bayesian variants of these methods. In particular, we study Bayesian regression histograms, such as Bayesian dyadic trees, in the simple regression case with just one predictor. We focus on the reconstruction of regression surfaces that are piecewise constant, where the number of jumps is unknown.

Stochastic optimization of continuous objectives is at the heart of modern machine learning. However, many important problems are of discrete nature and often involve submodular objectives. We seek to unleash the power of stochastic continuous optimization, namely stochastic gradient descent and its variants, to such discrete problems. We first introduce the problem of stochastic submodular optimization, where one needs to optimize a submodular objective which is given as an expectation. Our model captures situations where the discrete objective arises as an empirical risk (e.g., in the case of exemplar-based clustering), or is given as an explicit stochastic model (e.g., in the case of influence maximization in social networks). By exploiting that common extensions act linearly on the class of submodular functions, we employ projected stochastic gradient ascent and its variants in the continuous domain, and perform rounding to obtain discrete solutions. We focus on the rich and widely used family of weighted coverage functions. We show that our approach yields solutions that are guaranteed to match the optimal approximation guarantees, while reducing the computational cost by several orders of magnitude, as we demonstrate empirically.

Boltzmann exploration is a classic strategy for sequential decision-making under uncertainty, and is one of the most standard tools in Reinforcement Learning (RL). Despite its widespread use, there is virtually no theoretical understanding about the limitations or the actual benefits of this exploration scheme. Does it drive exploration in a meaningful way? Is it prone to misidentifying the optimal actions or spending too much time exploring the suboptimal ones? What is the right tuning for the learning rate?

We revisit the problem of Online Linear Optimization in case the set of feasible actions is accessible through an approximated linear optimization oracle with a factor $\alpha$ multiplicative approximation guarantee. This setting is in particular interesting since it captures natural online extensions of well-studied offline linear optimization problems which are NP-hard, yet admit efficient approximation algorithms. The goal here is to minimize the $\alpha$-regret which is the natural extension of the standard regret in online learning to this setting. We present new algorithms with significantly improved oracle complexity for both the full information and bandit variants of the problem. Mainly, for both variants, we present $\alpha$-regret bounds of $O(T^{-1/3})$, were $T$ is the number of prediction rounds, using only $O(\log(T))$ calls to the approximation oracle per iteration, on average. These are the first results to obtain both average oracle complexity of $O(\log(T))$ (or even poly-logarithmic in $T$) and $\alpha$-regret bound $O(T^{-c})$ for a positive constant $c$, for both variants.

We propose a rank-k variant of the classical Frank-Wolfe algorithm to solve convex optimization over a trace-norm ball. Our algorithm replaces the top singular-vector computation (1-SVD) in Frank-Wolfe with a top-k singular-vector computation (k-SVD), which can be done by repeatedly applying 1-SVD k times. Alternatively, our algorithm can be viewed as a rank-k restricted version of projected gradient descent. We show that our algorithm has a linear convergence rate when the objective function is smooth and strongly convex, and the optimal solution has rank at most k. This improves the convergence rate and the total time complexity of the Frank-Wolfe method and its variants.

Many image-to-image translation problems are ambiguous, as a single input image may correspond to multiple possible outputs. In this work, we aim to model a distribution of possible outputs in a conditional generative modeling setting. The ambiguity of the mapping is distilled in a low-dimensional latent vector, which can be randomly sampled at test time. A generator learns to map the given input, combined with this latent code, to the output. We explicitly encourage the connection between output and the latent code to be invertible. This helps prevent a many-to-one mapping from the latent code to the output during training, also known as the problem of mode collapse, and produces more diverse results. We explore several variants of this approach by employing different training objectives, network architectures, and methods of injecting the latent code. Our proposed method encourages bijective consistency between the latent encoding and output modes. We present a systematic comparison of our method and other variants on both perceptual realism and diversity.

One of the major issues in stochastic gradient descent (SGD) methods is how to choose an appropriate step size while running the algorithm. Since the traditional line search technique does not apply for stochastic optimization methods, the common practice in SGD is either to use a diminishing step size, or to tune a step size by hand, which can be time consuming in practice. In this paper, we propose to use the Barzilai-Borwein (BB) method to automatically compute step sizes for SGD and its variant: stochastic variance reduced gradient (SVRG) method, which leads to two algorithms: SGD-BB and SVRG-BB. We prove that SVRG-BB converges linearly for strongly convex objective functions. As a by-product, we prove the linear convergence result of SVRG with Option I proposed in [10], whose convergence result has been missing in the literature. Numerical experiments on standard data sets show that the performance of SGD-BB and SVRG-BB is comparable to and sometimes even better than SGD and SVRG with best-tuned step sizes, and is superior to some advanced SGD variants.

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.