Stein variational gradient descent (SVGD) is a non-parametric inference algorithm that evolves a set of particles to fit a given distribution of interest. We analyze the non-asymptotic properties of SVGD, showing that there exists a set of functions, which we call the Stein matching set, whose expectations are exactly estimated by any set of particles that satisfies the fixed point equation of SVGD. This set is the image of Stein operator applied on the feature maps of the positive definite kernel used in SVGD. Our results provide a theoretical framework for analyzing the properties of SVGD with different kernels, shedding insight into optimal kernel choice. In particular, we show that SVGD with linear kernels yields exact estimation of means and variances on Gaussian distributions, while random Fourier features enable probabilistic bounds for distributional approximation. Our results offer a refreshing view of the classical inference problem as fitting Stein’s identity or solving the Stein equation, which may motivate more efficient algorithms.

We investigate 1) the rate at which refined properties of the empirical risk---in particular, gradients---converge to their population counterparts in standard non-convex learning tasks, and 2) the consequences of this convergence for optimization. Our analysis follows the tradition of norm-based capacity control. We propose vector-valued Rademacher complexities as a simple, composable, and user-friendly tool to derive dimension-free uniform convergence bounds for gradients in non-convex learning problems. As an application of our techniques, we give a new analysis of batch gradient descent methods for non-convex generalized linear models and non-convex robust regression, showing how to use any algorithm that finds approximate stationary points to obtain optimal sample complexity, even when dimension is high or possibly infinite and multiple passes over the dataset are allowed. Moving to non-smooth models we show----in contrast to the smooth case---that even for a single ReLU it is not possible to obtain dimension-independent convergence rates for gradients in the worst case. On the positive side, it is still possible to obtain dimension-independent rates under a new type of distributional assumption.

Gaussian processes (GPs) provide a powerful non-parametric framework for reasoning over functions. Despite appealing theory, its superlinear computational and memory complexities have presented a long-standing challenge. State-of-the-art sparse variational inference methods trade modeling accuracy against complexity. However, the complexities of these methods still scale superlinearly in the number of basis functions, implying that that sparse GP methods are able to learn from large datasets only when a small model is used. Recently, a decoupled approach was proposed that removes the unnecessary coupling between the complexities of modeling the mean and the covariance functions of a GP. It achieves a linear complexity in the number of mean parameters, so an expressive posterior mean function can be modeled. While promising, this approach suffers from optimization difficulties due to ill-conditioning and non-convexity. In this work, we propose an alternative decoupled parametrization. It adopts an orthogonal basis in the mean function to model the residues that cannot be learned by the standard coupled approach. Therefore, our method extends, rather than replaces, the coupled approach to achieve strictly better performance. This construction admits a straightforward natural gradient update rule, so the structure of the information manifold that is lost during decoupling can be leveraged to speed up learning. Empirically, our algorithm demonstrates significantly faster convergence in multiple experiments.

We present a neurosymbolic framework for the lifelong learning of algorithmic tasks that mix perception and procedural reasoning. Reusing high-level concepts across domains and learning complex procedures are key challenges in lifelong learning. We show that a program synthesis approach that combines gradient descent with combinatorial search over programs can be a more effective response to these challenges than purely neural methods. Our framework, called HOUDINI, represents neural networks as strongly typed, differentiable functional programs that use symbolic higher-order combinators to compose a library of neural functions. Our learning algorithm consists of: (1) a symbolic program synthesizer that performs a type-directed search over parameterized programs, and decides on the library functions to reuse, and the architectures to combine them, while learning a sequence of tasks; and (2) a neural module that trains these programs using stochastic gradient descent. We evaluate HOUDINI on three benchmarks that combine perception with the algorithmic tasks of counting, summing, and shortest-path computation. Our experiments show that HOUDINI transfers high-level concepts more effectively than traditional transfer learning and progressive neural networks, and that the typed representation of networks significantly accelerates the search.

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.

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.

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.

A large class of machine learning techniques requires the solution of optimization problems involving spectral functions of parametric matrices, e.g. log-determinant and nuclear norm. Unfortunately, computing the gradient of a spectral function is generally of cubic complexity, as such gradient descent methods are rather expensive for optimizing objectives involving the spectral function. Thus, one naturally turns to stochastic gradient methods in hope that they will provide a way to reduce or altogether avoid the computation of full gradients. However, here a new challenge appears: there is no straightforward way to compute unbiased stochastic gradients for spectral functions. In this paper, we develop unbiased stochastic gradients for spectral-sums, an important subclass of spectral functions. Our unbiased stochastic gradients are based on combining randomized trace estimators with stochastic truncation of the Chebyshev expansions. A careful design of the truncation distribution allows us to offer distributions that are variance-optimal, which is crucial for fast and stable convergence of stochastic gradient methods. We further leverage our proposed stochastic gradients to devise stochastic methods for objective functions involving spectral-sums, and rigorously analyze their convergence rate. The utility of our methods is demonstrated in numerical experiments.