The weighted k-nearest neighbors algorithm is one of the most fundamental non-parametric methods in pattern recognition and machine learning. The question of setting the optimal number of neighbors as well as the optimal weights has received much attention throughout the years, nevertheless this problem seems to have remained unsettled. In this paper we offer a simple approach to locally weighted regression/classification, where we make the bias-variance tradeoff explicit. Our formulation enables us to phrase a notion of optimal weights, and to efficiently find these weights as well as the optimal number of neighbors efficiently and adaptively, for each data point whose value we wish to estimate. The applicability of our approach is demonstrated on several datasets, showing superior performance over standard locally weighted methods.

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.

We analyze stochastic algorithms for optimizing nonconvex, nonsmooth finite-sum problems, where the nonsmooth part is convex. Surprisingly, unlike the smooth case, our knowledge of this fundamental problem is very limited. For example, it is not known whether the proximal stochastic gradient method with constant minibatch converges to a stationary point. To tackle this issue, we develop fast stochastic algorithms that provably converge to a stationary point for constant minibatches. Furthermore, using a variant of these algorithms, we obtain provably faster convergence than batch proximal gradient descent. Our results are based on the recent variance reduction techniques for convex optimization but with a novel analysis for handling nonconvex and nonsmooth functions. We also prove global linear convergence rate for an interesting subclass of nonsmooth nonconvex functions, which subsumes several recent works.

Many practical perception systems exist within larger processes which often include interactions with users or additional components that are capable of evaluating the quality of predicted solutions. In these contexts, it is beneficial to provide these oracle mechanisms with multiple highly likely hypotheses rather than a single prediction. In this work, we pose the task of producing multiple outputs as a learning problem over an ensemble of deep networks -- introducing a novel stochastic gradient descent based approach to minimize the loss with respect to an oracle. Our method is simple to implement, agnostic to both architecture and loss function, and parameter-free. Our approach achieves lower oracle error compared to existing methods on a wide range of tasks and deep architectures. We also show qualitatively that solutions produced from our approach often provide interpretable representations of task ambiguity.

The optimization problem behind neural networks is highly non-convex. Training with stochastic gradient descent and variants requires careful parameter tuning and provides no guarantee to achieve the global optimum. In contrast we show under quite weak assumptions on the data that a particular class of feedforward neural networks can be trained globally optimal with a linear convergence rate. Up to our knowledge this is the first practically feasible method which achieves such a guarantee. While the method can in principle be applied to deep networks, we restrict ourselves for simplicity in this paper to one-and two hidden layer networks. Our experiments confirms that these models are already rich enough to achieve good performance on a series of real-world datasets.

Given $iid$ observations from an unknown continuous distribution defined on some domain $\Omega$, we propose a nonparametric method to learn a piecewise constant function to approximate the underlying probability density function. Our density estimate is a piecewise constant function defined on a binary partition of $\Omega$. The key ingredient of the algorithm is to use discrepancy, a concept originates from Quasi Monte Carlo analysis, to control the partition process. The resulting algorithm is simple, efficient, and has provable convergence rate. We demonstrate empirically its efficiency as a density estimation method. We also show how it can be utilized to find good initializations for k-means.

We propose a pool-based non-parametric active learning algorithm for general metric spaces, called MArgin Regularized Metric Active Nearest Neighbor (MARMANN), which outputs a nearest-neighbor classifier. We give prediction error guarantees that depend on the noisy-margin properties of the input sample, and are competitive with those obtained by previously proposed passive learners. We prove that the label complexity of MARMANN is significantly lower than that of any passive learner with similar error guarantees. Our algorithm is based on a generalized sample compression scheme and a new label-efficient active model-selection procedure.

Markov chain Monte Carlo (MCMC) is one of the main workhorses of probabilistic inference, but it is notoriously hard to measure the quality of approximate posterior samples. This challenge is particularly salient in black box inference methods, which can hide details and obscure inference failures. In this work, we extend the recently introduced bidirectional Monte Carlo technique to evaluate MCMC-based posterior inference algorithms. By running annealed importance sampling (AIS) chains both from prior to posterior and vice versa on simulated data, we upper bound in expectation the symmetrized KL divergence between the true posterior distribution and the distribution of approximate samples. We integrate our method into two probabilistic programming languages, WebPPL and Stan, and validate it on several models and datasets. As an example of how our method be used to guide the design of inference algorithms, we apply it to study the effectiveness of different model representations in WebPPL and Stan.

Word embeddings are a powerful approach to capturing semantic similarity among terms in a vocabulary. In this paper, we develop exponential family embeddings, which extends the idea of word embeddings to other types of high-dimensional data. As examples, we studied several types of data: neural data with real-valued observations, count data from a market basket analysis, and ratings data from a movie recommendation system. The main idea is that each observation is modeled conditioned on a set of latent embeddings and other observations, called the context, where the way the context is defined depends on the problem. In language the context is the surrounding words; in neuroscience the context is close-by neurons; in market basket data the context is other items in the shopping cart. Each instance of an embedding defines the context, the exponential family of conditional distributions, and how the embedding vectors are shared across data. We infer the embeddings with stochastic gradient descent, with an algorithm that connects closely to generalized linear models. On all three of our applications--neural activity of zebrafish, users' shopping behavior, and movie ratings--we found that exponential family embedding models are more effective than other dimension reduction methods. They better reconstruct held-out data and find interesting qualitative structure.

Stochastic Gradient Markov Chain Monte Carlo (SG-MCMC) algorithms have become increasingly popular for Bayesian inference in large-scale applications. Even though these methods have proved useful in several scenarios, their performance is often limited by their bias. In this study, we propose a novel sampling algorithm that aims to reduce the bias of SG-MCMC while keeping the variance at a reasonable level. Our approach is based on a numerical sequence acceleration method, namely the Richardson-Romberg extrapolation, which simply boils down to running almost the same SG-MCMC algorithm twice in parallel with different step sizes. We illustrate our framework on the popular Stochastic Gradient Langevin Dynamics (SGLD) algorithm and propose a novel SG-MCMC algorithm referred to as Stochastic Gradient Richardson-Romberg Langevin Dynamics (SGRRLD). We provide formal theoretical analysis and show that SGRRLD is asymptotically consistent, satisfies a central limit theorem, and its non-asymptotic bias and the mean squared-error can be bounded. Our results show that SGRRLD attains higher rates of convergence than SGLD in both finite-time and asymptotically, and it achieves the theoretical accuracy of the methods that are based on higher-order integrators. We support our findings using both synthetic and real data experiments.