We introduce a framework to transfer knowledge acquired from a repository of (heterogeneous) supervised datasets to new unsupervised datasets. Our perspective avoids the subjectivity inherent in unsupervised learning by reducing it to supervised learning, and provides a principled way to evaluate unsupervised algorithms. We demonstrate the versatility of our framework via rigorous agnostic bounds on a variety of unsupervised problems. In the context of clustering, our approach helps choose the number of clusters and the clustering algorithm, remove the outliers, and provably circumvent Kleinberg's impossibility result. Experiments across hundreds of problems demonstrate improvements in performance on unsupervised data with simple algorithms despite the fact our problems come from heterogeneous domains. Additionally, our framework lets us leverage deep networks to learn common features across many small datasets, and perform zero shot learning.

Information theoretic quantities play an important role in various settings in machine learning, including causality testing, structure inference in graphical models, time-series problems, feature selection as well as in providing privacy guarantees. A key quantity of interest is the mutual information and generalizations thereof, including conditional mutual information, multivariate mutual information, total correlation and directed information. While the aforementioned information quantities are well defined in arbitrary probability spaces, existing estimators add or subtract entropies (we term them ΣH methods). These methods work only in purely discrete space or purely continuous case since entropy (or differential entropy) is well defined only in that regime. In this paper, we define a general graph divergence measure (GDM),as a measure of incompatibility between the observed distribution and a given graphical model structure. This generalizes the aforementioned information measures and we construct a novel estimator via a coupling trick that directly estimates these multivariate information measures using the Radon-Nikodym derivative. These estimators are proven to be consistent in a general setting which includes several cases where the existing estimators fail, thus providing the only known estimators for the following settings: (1) the data has some discrete and some continuous valued components (2) some (or all) of the components themselves are discrete-continuous mixtures (3) the data is real-valued but does not have a joint density on the entire space, rather is supported on a low-dimensional manifold. We show that our proposed estimators significantly outperform known estimators on synthetic and real datasets.

For distributed computing environment, we consider the empirical risk minimization problem and propose a distributed and communication-efficient Newton-type optimization method. At every iteration, each worker locally finds an Approximate NewTon (ANT) direction, which is sent to the main driver. The main driver, then, averages all the ANT directions received from workers to form a Globally Improved ANT (GIANT) direction. GIANT is highly communication efficient and naturally exploits the trade-offs between local computations and global communications in that more local computations result in fewer overall rounds of communications. Theoretically, we show that GIANT enjoys an improved convergence rate as compared with first-order methods and existing distributed Newton-type methods. Further, and in sharp contrast with many existing distributed Newton-type methods, as well as popular first-order methods, a highly advantageous practical feature of GIANT is that it only involves one tuning parameter. We conduct large-scale experiments on a computer cluster and, empirically, demonstrate the superior performance of GIANT.

Stochastic Gradient Langevin Dynamics (SGLD) has emerged as a key MCMC algorithm for Bayesian learning from large scale datasets. While SGLD with decreasing step sizes converges weakly to the posterior distribution, the algorithm is often used with a constant step size in practice and has demonstrated spectacular successes in machine learning tasks. The current practice is to set the step size inversely proportional to N where N is the number of training samples. As N becomes large, we show that the SGLD algorithm has an invariant probability measure which significantly departs from the target posterior and behaves like as Stochastic Gradient Descent (SGD). This difference is inherently due to the high variance of the stochastic gradients. Several strategies have been suggested to reduce this effect; among them, SGLD Fixed Point (SGLDFP) uses carefully designed control variates to reduce the variance of the stochastic gradients. We show that SGLDFP gives approximate samples from the posterior distribution, with an accuracy comparable to the Langevin Monte Carlo (LMC) algorithm for a computational cost sublinear in the number of data points. We provide a detailed analysis of the Wasserstein distances between LMC, SGLD, SGLDFP and SGD and explicit expressions of the means and covariance matrices of their invariant distributions. Our findings are supported by limited numerical experiments.

Submodular maximization problems appear in several areas of machine learning and data science, as many useful modelling concepts such as diversity and coverage satisfy this natural diminishing returns property. Because the data defining these functions, as well as the decisions made with the computed solutions, are subject to statistical noise and randomness, it is arguably necessary to go beyond computing a single approximate optimum and quantify its inherent uncertainty. To this end, we define a rich class of probabilistic models associated with constrained submodular maximization problems. These capture log-submodular dependencies of arbitrary order between the variables, but also satisfy hard combinatorial constraints. Namely, the variables are assumed to take on one of — possibly exponentially many — set of states, which form the bases of a matroid. To perform inference in these models we design novel variational inference algorithms, which carefully leverage the combinatorial and probabilistic properties of these objects. In addition to providing completely tractable and well-understood variational approximations, our approach results in the minimization of a convex upper bound on the log-partition function. The bound can be efficiently evaluated using greedy algorithms and optimized using any first-order method. Moreover, for the case of facility location and weighted coverage functions, we prove the first constant factor guarantee in this setting — an efficiently certifiable e/(e-1) approximation of the log-partition function. Finally, we empirically demonstrate the effectiveness of our approach on several instances.

Coordinate descent methods minimize a cost function by updating a single decision variable (corresponding to one coordinate) at a time. Ideally, we would update the decision variable that yields the largest marginal decrease in the cost function. However, finding this coordinate would require checking all of them, which is not computationally practical. Therefore, we propose a new adaptive method for coordinate descent. First, we define a lower bound on the decrease of the cost function when a coordinate is updated and, instead of calculating this lower bound for all coordinates, we use a multi-armed bandit algorithm to learn which coordinates result in the largest marginal decrease and simultaneously perform coordinate descent. We show that our approach improves the convergence of the coordinate methods both theoretically and experimentally.

This paper presents the key algorithmic techniques behind CatBoost, a new gradient boosting toolkit. Their combination leads to CatBoost outperforming other publicly available boosting implementations in terms of quality on a variety of datasets. Two critical algorithmic advances introduced in CatBoost are the implementation of ordered boosting, a permutation-driven alternative to the classic algorithm, and an innovative algorithm for processing categorical features. Both techniques were created to fight a prediction shift caused by a special kind of target leakage present in all currently existing implementations of gradient boosting algorithms. In this paper, we provide a detailed analysis of this problem and demonstrate that proposed algorithms solve it effectively, leading to excellent empirical results.

Can evolving networks be inferred and modeled without directly observing their nodes and edges? In many applications, the edges of a dynamic network might not be observed, but one can observe the dynamics of stochastic cascading processes (e.g., information diffusion, virus propagation) occurring over the unobserved network. While there have been efforts to infer networks based on such data, providing a generative probabilistic model that is able to identify the underlying time-varying network remains an open question. Here we consider the problem of inferring generative dynamic network models based on network cascade diffusion data. We propose a novel framework for providing a non-parametric dynamic network model---based on a mixture of coupled hierarchical Dirichlet processes---based on data capturing cascade node infection times. Our approach allows us to infer the evolving community structure in networks and to obtain an explicit predictive distribution over the edges of the underlying network---including those that were not involved in transmission of any cascade, or are likely to appear in the future. We show the effectiveness of our approach using extensive experiments on synthetic as well as real-world networks.

When the linear measurements of an instance of low-rank matrix recovery satisfy a restricted isometry property (RIP) --- i.e. they are approximately norm-preserving --- the problem is known to contain no spurious local minima, so exact recovery is guaranteed. In this paper, we show that moderate RIP is not enough to eliminate spurious local minima, so existing results can only hold for near-perfect RIP. In fact, counterexamples are ubiquitous: every $x$ is the spurious local minimum of a rank-1 instance of matrix recovery that satisfies RIP. One specific counterexample has RIP constant $\delta=1/2$, but causes randomly initialized stochastic gradient descent (SGD) to fail 12\% of the time. SGD is frequently able to avoid and escape spurious local minima, but this empirical result shows that it can occasionally be defeated by their existence. Hence, while exact recovery guarantees will likely require a proof of no spurious local minima, arguments based solely on norm preservation will only be applicable to a narrow set of nearly-isotropic instances.

Societies often rely on human experts to take a wide variety of decisions affecting their members, from jail-or-release decisions taken by judges and stop-and-frisk decisions taken by police officers to accept-or-reject decisions taken by academics. In this context, each decision is taken by an expert who is typically chosen uniformly at random from a pool of experts. However, these decisions may be imperfect due to limited experience, implicit biases, or faulty probabilistic reasoning. Can we improve the accuracy and fairness of the overall decision making process by optimizing the assignment between experts and decisions? In this paper, we address the above problem from the perspective of sequential decision making and show that, for different fairness notions from the literature, it reduces to a sequence of (constrained) weighted bipartite matchings, which can be solved efficiently using algorithms with approximation guarantees. Moreover, these algorithms also benefit from posterior sampling to actively trade off exploitation---selecting expert assignments which lead to accurate and fair decisions---and exploration---selecting expert assignments to learn about the experts' preferences and biases. We demonstrate the effectiveness of our algorithms on both synthetic and real-world data and show that they can significantly improve both the accuracy and fairness of the decisions taken by pools of experts.