The $k$-means clustering algorithm is a ubiquitous tool in data mining and machine learning that shows promising performance. However, its high computational cost has hindered its applications in broad domains. Researchers have successfully addressed these obstacles with dimensionality reduction methods. Recently, [1] develop a state-of-the-art random projection (RP) method for faster $k$-means clustering. Their method delivers many improvements over other dimensionality reduction methods.

Our algorithm is a simple alternating minimization procedure that switches between $\ell_1$ minimization and gradient descent in alternate steps. Dictionary learning and specifically alternating minimization algorithms for dictionary learning are well studied both theoretically and empirically. However, in contrast to previous theoretical analyses for this problem, we replace a condition on the operator norm (that is, the largest magnitude singular value) of the true underlying dictionary $A^*$ with a condition on the matrix infinity norm (that is, the largest magnitude term). This not only allows us to get convergence rates for the error of the estimated dictionary measured in the matrix infinity norm, but also ensures that a random initialization will provably converge to the global optimum. Our guarantees are under a reasonable generative model that allows for dictionaries with growing operator norms, and can handle an arbitrary level of overcompleteness, while having sparsity that is information theoretically optimal. We also establish upper bounds on the sample complexity of our algorithm.

Self-paced learning and hard example mining re-weight training instances to improve learning accuracy. This paper presents two improved alternatives based on lightweight estimates of sample uncertainty in stochastic gradient descent (SGD): the variance in predicted probability of the correct class across iterations of mini-batch SGD, and the proximity of the correct class probability to the decision threshold. Extensive experimental results on six datasets show that our methods reliably improve accuracy in various network architectures, including additional gains on top of other popular training techniques, such as residual learning, momentum, ADAM, batch normalization, dropout, and distillation.

Graph clustering is a fundamental task in many data-mining and machine-learning pipelines. In particular, identifying a good hierarchical structure is at the same time a fundamental and challenging problem for several applications. The amount of data to analyze is increasing at an astonishing rate each day. Hence there is a need for new solutions to efficiently compute effective hierarchical clusterings on such huge data. The main focus of this paper is on minimum spanning tree (MST) based clusterings. In particular, we propose affinity, a novel hierarchical clustering based on Boruvka's MST algorithm. We prove certain theoretical guarantees for affinity (as well as some other classic algorithms) and show that in practice it is superior to several other state-of-the-art clustering algorithms.

The additive model is one of the most popularly used models for high dimensional nonparametric regression analysis. However, its main drawback is that it neglects possible interactions between predictor variables. In this paper, we reexamine the group additive model proposed in the literature, and rigorously define the intrinsic group additive structure for the relationship between the response variable $Y$ and the predictor vector $\vect{X}$, and further develop an effective structure-penalized kernel method for simultaneous identification of the intrinsic group additive structure and nonparametric function estimation. The method utilizes a novel complexity measure we derive for group additive structures. We show that the proposed method is consistent in identifying the intrinsic group additive structure. Simulation study and real data applications demonstrate the effectiveness of the proposed method as a general tool for high dimensional nonparametric regression.

Existing Markov Chain Monte Carlo (MCMC) methods are either based on general-purpose and domain-agnostic schemes, which can lead to slow convergence, or require hand-crafting of problem-specific proposals by an expert. We propose A-NICE-MC, a novel method to train flexible parametric Markov chain kernels to produce samples with desired properties. First, we propose an efficient likelihood-free adversarial training method to train a Markov chain and mimic a given data distribution. Then, we leverage flexible volume preserving flows to obtain parametric kernels for MCMC. Using a bootstrap approach, we show how to train efficient Markov Chains to sample from a prescribed posterior distribution by iteratively improving the quality of both the model and the samples. A-NICE-MC provides the first framework to automatically design efficient domain-specific MCMC proposals. Empirical results demonstrate that A-NICE-MC combines the strong guarantees of MCMC with the expressiveness of deep neural networks, and is able to significantly outperform competing methods such as Hamiltonian Monte Carlo.

Overfitting is one of the most critical challenges in deep neural networks, and there are various types of regularization methods to improve generalization performance. Injecting noises to hidden units during training, e.g., dropout, is known as a successful regularizer, but it is still not clear enough why such training techniques work well in practice and how we can maximize their benefit in the presence of two conflicting objectives---optimizing to true data distribution and preventing overfitting by regularization. This paper addresses the above issues by 1) interpreting that the conventional training methods with regularization by noise injection optimize the lower bound of the true objective and 2) proposing a technique to achieve a tighter lower bound using multiple noise samples per training example in a stochastic gradient descent iteration. We demonstrate the effectiveness of our idea in several computer vision applications.

In a regression task, a predictor is given a set of instances, along with a real value for each point. Subsequently, she has to identify the value of a new instance as accurately as possible. In this work, we initiate the study of strategic predictions in machine learning. We consider a regression task tackled by two players, where the payoff of each player is the proportion of the points she predicts more accurately than the other player. We first revise the probably approximately correct learning framework to deal with the case of a duel between two predictors. We then devise an algorithm which finds a linear regression predictor that is a best response to any (not necessarily linear) regression algorithm. We show that it has linearithmic sample complexity, and polynomial time complexity when the dimension of the instances domain is fixed. We also test our approach in a high-dimensional setting, and show it significantly defeats classical regression algorithms in the prediction duel. Together, our work introduces a novel machine learning task that lends itself well to current competitive online settings, provides its theoretical foundations, and illustrates its applicability.

Stein variational gradient descent (SVGD) is a deterministic sampling algorithm that iteratively transports a set of particles to approximate given distributions, based on a gradient-based update constructed to optimally decrease the KL divergence within a function space. This paper develops the first theoretical analysis on SVGD. We establish that the empirical measures of the SVGD samples weakly converge to the target distribution, and show that the asymptotic behavior of SVGD is characterized by a nonlinear Fokker-Planck equation known as Vlasov equation in physics. We develop a geometric perspective that views SVGD as a gradient flow of the KL divergence functional under a new metric structure on the space of distributions induced by Stein operator.

In this paper, we propose to adopt the diffusion approximation tools to study the dynamics of Oja's iteration which is an online stochastic gradient method for the principal component analysis. Oja's iteration maintains a running estimate of the true principal component from streaming data and enjoys less temporal and spatial complexities. We show that the Oja's iteration for the top eigenvector generates a continuous-state discrete-time Markov chain over the unit sphere. We characterize the Oja's iteration in three phases using diffusion approximation and weak convergence tools. Our three-phase analysis further provides a finite-sample error bound for the running estimate, which matches the minimax information lower bound for PCA under the additional assumption of bounded samples.