Shashank Singh

Shashank Singh

Continuum-armed bandits (a.k.a., black-box or $0^{th}$-order optimization) involves optimizing an unknown objective function given an oracle that evaluates the function at a query point, with the goal of using as few query points as possible. In the most well-studied case, the objective function is assumed to be Lipschitz continuous and minimax rates of simple and cumulative regrets are known in both noiseless and noisy settings. This paper studies continuum-armed bandits under more general smoothness conditions, namely Besov smoothness conditions, on the objective function. In both noiseless and noisy conditions, we derive minimax rates under simple and cumulative regrets. Our results show that minimax rates over objective functions in a Besov space are identical to minimax rates over objective functions in the smallest Hölder space into which the Besov space embeds.

Sercan O. Arik, Chun-Liang Li, Jinsung Yoon et al.

We propose a novel approach that integrates machine learning into compartmental disease modeling to predict the progression of COVID-19. Our model is explainable by design as it explicitly shows how different compartments evolve and it uses interpretable encoders to incorporate covariates and improve performance. Explainability is valuable to ensure that the model's forecasts are credible to epidemiologists and to instill confidence in end-users such as policy makers and healthcare institutions. Our model can be applied at different geographic resolutions, and here we demonstrate it for states and counties in the United States. We show that our model provides more accurate forecasts, in metrics averaged across the entire US, than state-of-the-art alternatives, and that it provides qualitatively meaningful explanatory insights. Lastly, we analyze the performance of our model for different subgroups based on the subgroup distributions within the counties.

Ananya Uppal, Shashank Singh, Barnabas Poczos

We study minimax convergence rates of nonparametric density estimation in the Huber contamination model, in which a proportion of the data comes from an unknown outlier distribution. We provide the first results for this problem under a large family of losses, called Besov integral probability metrics (IPMs), that includes $\mathcal{L}^p$, Wasserstein, Kolmogorov-Smirnov, and other common distances between probability distributions. Specifically, under a range of smoothness assumptions on the population and outlier distributions, we show that a re-scaled thresholding wavelet series estimator achieves minimax optimal convergence rates under a wide variety of losses. Finally, based on connections that have recently been shown between nonparametric density estimation under IPM losses and generative adversarial networks (GANs), we show that certain GAN architectures also achieve these minimax rates.

Justin Khim, Ziyu Xu, Shashank Singh

We study statistical properties of the k-nearest neighbors algorithm for multiclass classification, with a focus on settings where the number of classes may be large and/or classes may be highly imbalanced. In particular, we consider a variant of the k-nearest neighbor classifier with non-uniform class-weightings, for which we derive upper and minimax lower bounds on accuracy, class-weighted risk, and uniform error. Additionally, we show that uniform error bounds lead to bounds on the difference between empirical confusion matrix quantities and their population counterparts across a set of weights. As a result, we may adjust the class weights to optimize classification metrics such as F1 score or Matthew's Correlation Coefficient that are commonly used in practice, particularly in settings with imbalanced classes. We additionally provide a simple example to instantiate our bounds and numerical experiments.

Shashank Singh, Ashish Khetan, Zohar Karnin

In many learning situations, resources at inference time are significantly more constrained than resources at training time. This paper studies a general paradigm, called Differentiable ARchitecture Compression (DARC), that combines model compression and architecture search to learn models that are resource-efficient at inference time. Given a resource-intensive base architecture, DARC utilizes the training data to learn which sub-components can be replaced by cheaper alternatives. The high-level technique can be applied to any neural architecture, and we report experiments on state-of-the-art convolutional neural networks for image classification. For a WideResNet with $97.2\%$ accuracy on CIFAR-10, we improve single-sample inference speed by $2.28\times$ and memory footprint by $5.64\times$, with no accuracy loss. For a ResNet with $79.15\%$ Top1 accuracy on ImageNet, we improve batch inference speed by $1.29\times$ and memory footprint by $3.57\times$ with $1\%$ accuracy loss. We also give theoretical Rademacher complexity bounds in simplified cases, showing how DARC avoids overfitting despite over-parameterization.

Ananya Uppal, Shashank Singh, Barnabás Póczos

We study the problem of estimating a nonparametric probability density under a large family of losses called Besov IPMs, which include, for example, $\mathcal{L}^p$ distances, total variation distance, and generalizations of both Wasserstein and Kolmogorov-Smirnov distances. For a wide variety of settings, we provide both lower and upper bounds, identifying precisely how the choice of loss function and assumptions on the data interact to determine the minimax optimal convergence rate. We also show that linear distribution estimates, such as the empirical distribution or kernel density estimator, often fail to converge at the optimal rate. Our bounds generalize, unify, or improve several recent and classical results. Moreover, IPMs can be used to formalize a statistical model of generative adversarial networks (GANs). Thus, we show how our results imply bounds on the statistical error of a GAN, showing, for example, that GANs can strictly outperform the best linear estimator.

Shashank Singh, Ananya Uppal, Boyue Li et al.

We study minimax convergence rates of nonparametric density estimation under a large class of loss functions called "adversarial losses", which, besides classical $\mathcal{L}^p$ losses, includes maximum mean discrepancy (MMD), Wasserstein distance, and total variation distance. These losses are closely related to the losses encoded by discriminator networks in generative adversarial networks (GANs). In a general framework, we study how the choice of loss and the assumed smoothness of the underlying density together determine the minimax rate. We also discuss implications for training GANs based on deep ReLU networks, and more general connections to learning implicit generative models in a minimax statistical sense.

Shashank Singh, Bharath K. Sriperumbudur, Barnabás Póczos

We study estimation of (semi-)inner products between two nonparametric probability distributions, given IID samples from each distribution. These products include relatively well-studied classical $\mathcal{L}^2$ and Sobolev inner products, as well as those induced by translation-invariant reproducing kernels, for which we believe our results are the first. We first propose estimators for these quantities, and the induced (semi)norms and (pseudo)metrics. We then prove non-asymptotic upper bounds on their mean squared error, in terms of weights both of the inner product and of the two distributions, in the Fourier basis. Finally, we prove minimax lower bounds that imply rate-optimality of the proposed estimators over Fourier ellipsoids.

Shashank Singh, Barnabás Póczos

The Wasserstein metric is an important measure of distance between probability distributions, with applications in machine learning, statistics, probability theory, and data analysis. This paper provides upper and lower bounds on statistical minimax rates for the problem of estimating a probability distribution under Wasserstein loss, using only metric properties, such as covering and packing numbers, of the sample space, and weak moment assumptions on the probability distributions.

Shashank Singh, Barnabás Pøczos

We study the problem of using i.i.d. samples from an unknown multivariate probability distribution $p$ to estimate the mutual information of $p$. This problem has recently received attention in two settings: (1) where $p$ is assumed to be Gaussian and (2) where $p$ is assumed only to lie in a large nonparametric smoothness class. Estimators proposed for the Gaussian case converge in high dimensions when the Gaussian assumption holds, but are brittle, failing dramatically when $p$ is not Gaussian. Estimators proposed for the nonparametric case fail to converge with realistic sample sizes except in very low dimensions. As a result, there is a lack of robust mutual information estimators for many realistic data. To address this, we propose estimators for mutual information when $p$ is assumed to be a nonparanormal (a.k.a., Gaussian copula) model, a semiparametric compromise between Gaussian and nonparametric extremes. Using theoretical bounds and experiments, we show these estimators strike a practical balance between robustness and scaling with dimensionality.

Shashank Singh, Simon S. Du, Barnabás Póczos

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 bias and variance of our estimators over finite samples, 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. Finally, we empirically validate our estimators on synthetic data.

Shashank Singh, Barnabás P óczos

We analyze a plug-in estimator for a large class of integral functionals of one or more continuous probability densities. This class includes important families of entropy, divergence, mutual information, and their conditional versions. For densities on the $d$-dimensional unit cube $[0,1]^d$ that lie in a $β$-Hölder smoothness class, we prove our estimator converges at the rate $O \left( n^{-\fracβ{β+ d}} \right)$. Furthermore, we prove the estimator is exponentially concentrated about its mean, whereas most previous related results have proven only expected error bounds on estimators.

Shashank Singh, Barnabás Póczos

Estimating entropy and mutual information consistently is important for many machine learning applications. The Kozachenko-Leonenko (KL) estimator (Kozachenko & Leonenko, 1987) is a widely used nonparametric estimator for the entropy of multivariate continuous random variables, as well as the basis of the mutual information estimator of Kraskov et al. (2004), perhaps the most widely used estimator of mutual information in this setting. Despite the practical importance of these estimators, major theoretical questions regarding their finite-sample behavior remain open. This paper proves finite-sample bounds on the bias and variance of the KL estimator, showing that it achieves the minimax convergence rate for certain classes of smooth functions. In proving these bounds, we analyze finite-sample behavior of k-nearest neighbors (k-NN) distance statistics (on which the KL estimator is based). We derive concentration inequalities for k-NN distances and a general expectation bound for statistics of k-NN distances, which may be useful for other analyses of k-NN methods.