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.

The facility location problem is widely used for summarizing large datasets and has additional applications in sensor placement, image retrieval, and clustering. One difficulty of this problem is that submodular optimization algorithms require the calculation of pairwise benefits for all items in the dataset. This is infeasible for large problems, so recent work proposed to only calculate nearest neighbor benefits. One limitation is that several strong assumptions were invoked to obtain provable approximation guarantees. In this paper we establish that these extra assumptions are not necessary--solving the sparsified problem will be almost optimal under the standard assumptions of the problem. We then analyze a different method of sparsification that is a better model for methods such as Locality Sensitive Hashing to accelerate the nearest neighbor computations and extend the use of the problem to a broader family of similarities. We validate our approach by demonstrating that it rapidly generates interpretable summaries.

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.

An iterative regularization path with structural sparsity is proposed in this paper based on variable splitting and the Linearized Bregman Iteration, hence called \emph{Split LBI}. Despite its simplicity, Split LBI outperforms the popular generalized Lasso in both theory and experiments. A theory of path consistency is presented that equipped with a proper early stopping, Split LBI may achieve model selection consistency under a family of Irrepresentable Conditions which can be weaker than the necessary and sufficient condition for generalized Lasso. Furthermore, some $\ell_2$ error bounds are also given at the minimax optimal rates. The utility and benefit of the algorithm are illustrated by applications on both traditional image denoising and a novel example on partial order ranking.

Factorization machines (FMs) are a supervised learning approach that can use second-order feature combinations even when the data is very high-dimensional. Unfortunately, despite increasing interest in FMs, there exists to date no efficient training algorithm for higher-order FMs (HOFMs). In this paper, we present the first generic yet efficient algorithms for training arbitrary-order HOFMs. We also present new variants of HOFMs with shared parameters, which greatly reduce model size and prediction times while maintaining similar accuracy. We demonstrate the proposed approaches on four different link prediction tasks.

A central challenge in neuroscience is understanding how neural system implements computation through its dynamics. We propose a nonlinear time series model aimed at characterizing interpretable dynamics from neural trajectories. Our model assumes low-dimensional continuous dynamics in a finite volume. It incorporates a prior assumption about globally contractional dynamics to avoid overly enthusiastic extrapolation outside of the support of observed trajectories. We show that our model can recover qualitative features of the phase portrait such as attractors, slow points, and bifurcations, while also producing reliable long-term future predictions in a variety of dynamical models and in real neural data.

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.

We propose a framework for Semi-Supervised Active Clustering framework (SSAC), where the learner is allowed to interact with a domain expert, asking whether two given instances belong to the same cluster or not. We study the query and computational complexity of clustering in this framework. We consider a setting where the expert conforms to a center-based clustering with a notion of margin. We show that there is a trade off between computational complexity and query complexity; We prove that for the case of $k$-means clustering (i.e., when the expert conforms to a solution of $k$-means), having access to relatively few such queries allows efficient solutions to otherwise NP hard problems. In particular, we provide a probabilistic polynomial-time (BPP) algorithm for clustering in this setting that asks $O\big(k^2\log k + k\log n)$ same-cluster queries and runs with time complexity $O\big(kn\log n)$ (where $k$ is the number of clusters and $n$ is the number of instances). The success of the algorithm is guaranteed for data satisfying the margin condition under which, without queries, we show that the problem is NP hard. We also prove a lower bound on the number of queries needed to have a computationally efficient clustering algorithm in this setting.

We study a stochastic and distributed algorithm for nonconvex problems whose objective consists a sum $N$ nonconvex $L_i/N$-smooth functions, plus a nonsmooth regularizer. The proposed NonconvEx primal-dual SpliTTing (NESTT) algorithm splits the problem into $N$ subproblems, and utilizes an augmented Lagrangian based primal-dual scheme to solve it in a distributed and stochastic manner. With a special non-uniform sampling, a version of NESTT achieves $\epsilon$-stationary solution using $\mathcal{O}((\sum_{i=1}^N\sqrt{L_i/N})^2/\epsilon)$ gradient evaluations, which can be up to $\mathcal{O}(N)$ times better than the (proximal) gradient descent methods. It also achieves Q-linear convergence rate for nonconvex $\ell_1$ penalized quadratic problems with polyhedral constraints. Further, we reveal a fundamental connection between {\it primal-dual} based methods and a few {\it primal only} methods such as IAG/SAG/SAGA.

Practical applications of machine learning often involve successive training iterations with changes to features and training examples. Ideally, changes in the output of any new model should only be improvements (wins) over the previous iteration, but in practice the predictions may change neutrally for many examples, resulting in extra net-zero wins and losses, referred to as unnecessary churn. These changes in the predictions are problematic for usability for some applications, and make it harder and more expensive to measure if a change is statistically significant positive. In this paper, we formulate the problem and present a stabilization operator to regularize a classifier towards a previous classifier. We use a Markov chain Monte Carlo stabilization operator to produce a model with more consistent predictions without adversely affecting accuracy. We investigate the properties of the proposal with theoretical analysis. Experiments on benchmark datasets for different classification algorithms demonstrate the method and the resulting reduction in churn.