Neural networks have many successful applications, while much less theoretical understanding has been gained. Towards bridging this gap, we study the problem of learning a two-layer overparameterized ReLU neural network for multi-class classification via stochastic gradient descent (SGD) from random initialization. In the overparameterized setting, when the data comes from mixtures of well-separated distributions, we prove that SGD learns a network with a small generalization error, albeit the network has enough capacity to fit arbitrary labels. Furthermore, the analysis provides interesting insights into several aspects of learning neural networks and can be verified based on empirical studies on synthetic data and on the MNIST dataset.

We consider stochastic gradient descent (SGD) for least-squares regression with potentially several passes over the data. While several passes have been widely reported to perform practically better in terms of predictive performance on unseen data, the existing theoretical analysis of SGD suggests that a single pass is statistically optimal. While this is true for low-dimensional easy problems, we show that for hard problems, multiple passes lead to statistically optimal predictions while single pass does not; we also show that in these hard models, the optimal number of passes over the data increases with sample size. In order to define the notion of hardness and show that our predictive performances are optimal, we consider potentially infinite-dimensional models and notions typically associated to kernel methods, namely, the decay of eigenvalues of the covariance matrix of the features and the complexity of the optimal predictor as measured through the covariance matrix. We illustrate our results on synthetic experiments with non-linear kernel methods and on a classical benchmark with a linear model.

Expectation-Maximization (EM) is a popular tool for learning latent variable models, but the vanilla batch EM does not scale to large data sets because the whole data set is needed at every E-step. Stochastic Expectation Maximization (sEM) reduces the cost of E-step by stochastic approximation. However, sEM has a slower asymptotic convergence rate than batch EM, and requires a decreasing sequence of step sizes, which is difficult to tune. In this paper, we propose a variance reduced stochastic EM (sEM-vr) algorithm inspired by variance reduced stochastic gradient descent algorithms. We show that sEM-vr has the same exponential asymptotic convergence rate as batch EM. Moreover, sEM-vr only requires a constant step size to achieve this rate, which alleviates the burden of parameter tuning. We compare sEM-vr with batch EM, sEM and other algorithms on Gaussian mixture models and probabilistic latent semantic analysis, and sEM-vr converges significantly faster than these baselines.

A key task in Bayesian machine learning is sampling from distributions that are only specified up to a partition function (i.e., constant of proportionality). One prevalent example of this is sampling posteriors in parametric distributions, such as latent-variable generative models. However sampling (even very approximately) can be #P-hard. Classical results (going back to Bakry and Emery) on sampling focus on log-concave distributions, and show a natural Markov chain called Langevin diffusion mix in polynomial time. However, all log-concave distributions are uni-modal, while in practice it is very common for the distribution of interest to have multiple modes. In this case, Langevin diffusion suffers from torpid mixing. We address this problem by combining Langevin diffusion with simulated tempering. The result is a Markov chain that mixes more rapidly by transitioning between different temperatures of the distribution. We analyze this Markov chain for a mixture of (strongly) log-concave distributions of the same shape. In particular, our technique applies to the canonical multi-modal distribution: a mixture of gaussians (of equal variance). Our algorithm efficiently samples from these distributions given only access to the gradient of the log-pdf. To the best of our knowledge, this is the first result that proves fast mixing for multimodal distributions.

Most recent work on interpretability of complex machine learning models has focused on estimating a-posteriori explanations for previously trained models around specific predictions. Self-explaining models where interpretability plays a key role already during learning have received much less attention. We propose three desiderata for explanations in general -- explicitness, faithfulness, and stability -- and show that existing methods do not satisfy them. In response, we design self-explaining models in stages, progressively generalizing linear classifiers to complex yet architecturally explicit models. Faithfulness and stability are enforced via regularization specifically tailored to such models. Experimental results across various benchmark datasets show that our framework offers a promising direction for reconciling model complexity and interpretability.

Optimizing distributed learning systems is an art of balancing between computation and communication. There have been two lines of research that try to deal with slower networks: {\em communication compression} for low bandwidth networks, and {\em decentralization} for high latency networks. In this paper, We explore a natural question: {\em can the combination of both techniques lead to a system that is robust to both bandwidth and latency?} Although the system implication of such combination is trivial, the underlying theoretical principle and algorithm design is challenging: unlike centralized algorithms, simply compressing {\rc exchanged information, even in an unbiased stochastic way, within the decentralized network would accumulate the error and cause divergence.} In this paper, we develop a framework of quantized, decentralized training and propose two different strategies, which we call {\em extrapolation compression} and {\em difference compression}. We analyze both algorithms and prove both converge at the rate of $O(1/\sqrt{nT})$ where $n$ is the number of workers and $T$ is the number of iterations, matching the convergence rate for full precision, centralized training. We validate our algorithms and find that our proposed algorithm outperforms the best of merely decentralized and merely quantized algorithm significantly for networks with {\em both} high latency and low bandwidth.

Textual network embedding leverages rich text information associated with the network to learn low-dimensional vectorial representations of vertices. Rather than using typical natural language processing (NLP) approaches, recent research exploits the relationship of texts on the same edge to graphically embed text. However, these models neglect to measure the complete level of connectivity between any two texts in the graph. We present diffusion maps for textual network embedding (DMTE), integrating global structural information of the graph to capture the semantic relatedness between texts, with a diffusion-convolution operation applied on the text inputs. In addition, a new objective function is designed to efficiently preserve the high-order proximity using the graph diffusion. Experimental results show that the proposed approach outperforms state-of-the-art methods on the vertex-classification and link-prediction tasks.

Despite advances in scalable models, the inference tools used for Gaussian processes (GPs) have yet to fully capitalize on developments in computing hardware. We present an efficient and general approach to GP inference based on Blackbox Matrix-Matrix multiplication (BBMM). BBMM inference uses a modified batched version of the conjugate gradients algorithm to derive all terms for training and inference in a single call. BBMM reduces the asymptotic complexity of exact GP inference from O(n^3) to O(n^2). Adapting this algorithm to scalable approximations and complex GP models simply requires a routine for efficient matrix-matrix multiplication with the kernel and its derivative. In addition, BBMM uses a specialized preconditioner to substantially speed up convergence. In experiments we show that BBMM effectively uses GPU hardware to dramatically accelerate both exact GP inference and scalable approximations. Additionally, we provide GPyTorch, a software platform for scalable GP inference via BBMM, built on PyTorch.

Deep Gaussian Processes (DGPs) are hierarchical generalizations of Gaussian Processes that combine well calibrated uncertainty estimates with the high flexibility of multilayer models. One of the biggest challenges with these models is that exact inference is intractable. The current state-of-the-art inference method, Variational Inference (VI), employs a Gaussian approximation to the posterior distribution. This can be a potentially poor unimodal approximation of the generally multimodal posterior. In this work, we provide evidence for the non-Gaussian nature of the posterior and we apply the Stochastic Gradient Hamiltonian Monte Carlo method to generate samples. To efficiently optimize the hyperparameters, we introduce the Moving Window MCEM algorithm. This results in significantly better predictions at a lower computational cost than its VI counterpart. Thus our method establishes a new state-of-the-art for inference in DGPs.

We introduce the Sublevel Set (SS) method, a generic method to obtain sufficient guarantees of near-optimality and uniqueness (up to small perturbations) for a clustering. This method can be instantiated for a variety of clustering loss functions for which convex relaxations exist. Obtaining the guarantees in practice amounts to solving a convex optimization. We demonstrate the applicability of this method by obtaining distribution free guarantees for K-means clustering on realistic data sets.