Large-Scale Gaussian Processes via Alternating Projection

Gaussian process (GP) hyperparameter optimization requires repeatedly solving linear systems with $n \times n$ kernel matrices. To address the prohibitive $\mathcal{O}(n^3)$ time complexity, recent work has employed fast iterative numerical methods, like conjugate gradients (CG). However, as datasets increase in magnitude, the corresponding kernel matrices become increasingly ill-conditioned and still require $\mathcal{O}(n^2)$ space without partitioning. Thus, while CG increases the size of datasets GPs can be trained on, modern datasets reach scales beyond its applicability. In this work, we propose an iterative method which only accesses subblocks of the kernel matrix, effectively enabling \emph{mini-batching}. Our algorithm, based on alternating projection, has $\mathcal{O}(n)$ per-iteration time and space complexity, solving many of the practical challenges of scaling GPs to very large datasets. Theoretically, we prove our method enjoys linear convergence and empirically we demonstrate its robustness to ill-conditioning. On large-scale benchmark datasets up to four million datapoints our approach accelerates training by a factor of 2$\times$ to 27$\times$ compared to CG.

The Behavior and Convergence of Local Bayesian Optimization

A recent development in Bayesian optimization is the use of local optimization strategies, which can deliver strong empirical performance on high-dimensional problems compared to traditional global strategies. The "folk wisdom" in the literature is that the focus on local optimization sidesteps the curse of dimensionality; however, little is known concretely about the expected behavior or convergence of Bayesian local optimization routines. We first study the behavior of the local approach, and find that the statistics of individual local solutions of Gaussian process sample paths are surprisingly good compared to what we would expect to recover from global methods. We then present the first rigorous analysis of such a Bayesian local optimization algorithm recently proposed by M\"uller et al. (2021), and derive convergence rates in both the noisy and noiseless settings.

Black-Box Variational Inference Converges

We provide the first convergence guarantee for full black-box variational inference (BBVI), also known as Monte Carlo variational inference. While preliminary investigations worked on simplified versions of BBVI (e.g., bounded domain, bounded support, only optimizing for the scale, and such), our setup does not need any such algorithmic modifications. Our results hold for log-smooth posterior densities with and without strong log-concavity and the location-scale variational family. Also, our analysis reveals that certain algorithm design choices commonly employed in practice, particularly, nonlinear parameterizations of the scale of the variational approximation, can result in suboptimal convergence rates. Fortunately, running BBVI with proximal stochastic gradient descent fixes these limitations, and thus achieves the strongest known convergence rate guarantees. We evaluate this theoretical insight by comparing proximal SGD against other standard implementations of BBVI on large-scale Bayesian inference problems.

Practical and Matching Gradient Variance Bounds for Black-Box Variational Bayesian Inference

Understanding the gradient variance of black-box variational inference (BBVI) is a crucial step for establishing its convergence and developing algorithmic improvements. However, existing studies have yet to show that the gradient variance of BBVI satisfies the conditions used to study the convergence of stochastic gradient descent (SGD), the workhorse of BBVI. In this work, we show that BBVI satisfies a matching bound corresponding to the $ABC$ condition used in the SGD literature when applied to smooth and quadratically-growing log-likelihoods. Our results generalize to nonlinear covariance parameterizations widely used in the practice of BBVI. Furthermore, we show that the variance of the mean-field parameterization has provably superior dimensional dependence.

Stronger and Faster Wasserstein Adversarial Attacks

Deep models, while being extremely flexible and accurate, are surprisingly vulnerable to "small, imperceptible" perturbations known as adversarial attacks. While the majority of existing attacks focus on measuring perturbations under the $\ell_p$ metric, Wasserstein distance, which takes geometry in pixel space into account, has long been known to be a suitable metric for measuring image quality and has recently risen as a compelling alternative to the $\ell_p$ metric in adversarial attacks. However, constructing an effective attack under the Wasserstein metric is computationally much more challenging and calls for better optimization algorithms. We address this gap in two ways: (a) we develop an exact yet efficient projection operator to enable a stronger projected gradient attack; (b) we show that the Frank-Wolfe method equipped with a suitable linear minimization oracle works extremely fast under Wasserstein constraints. Our algorithms not only converge faster but also generate much stronger attacks. For instance, we decrease the accuracy of a residual network on CIFAR-10 to $3.4\%$ within a Wasserstein perturbation ball of radius $0.005$, in contrast to $65.6\%$ using the previous Wasserstein attack based on an \emph{approximate} projection operator. Furthermore, employing our stronger attacks in adversarial training significantly improves the robustness of adversarially trained models.

Newton-type Methods for Minimax Optimization

Differential games, in particular two-player sequential games (a.k.a. minimax optimization), have been an important modelling tool in applied science and received renewed interest in machine learning due to many recent applications. To account for the sequential and nonconvex nature, new solution concepts and algorithms have been developed. In this work, we provide a detailed analysis of existing algorithms and relate them to two novel Newton-type algorithms. We argue that our Newton-type algorithms nicely complement existing ones in that (a) they converge faster to (strict) local minimax points; (b) they are much more effective when the problem is ill-conditioned; (c) their computational complexity remains similar. We verify our theoretical results by conducting experiments on training GANs.

Understanding Adversarial Robustness: The Trade-off between Minimum and Average Margin

Deep models, while being extremely versatile and accurate, are vulnerable to adversarial attacks: slight perturbations that are imperceptible to humans can completely flip the prediction of deep models. Many attack and defense mechanisms have been proposed, although a satisfying solution still largely remains elusive. In this work, we give strong evidence that during training, deep models maximize the minimum margin in order to achieve high accuracy, but at the same time decrease the \emph{average} margin hence hurting robustness. Our empirical results highlight an intrinsic trade-off between accuracy and robustness for current deep model training. To further address this issue, we propose a new regularizer to explicitly promote average margin, and we verify through extensive experiments that it does lead to better robustness. Our regularized objective remains Fisher-consistent, hence asymptotically can still recover the Bayes optimal classifier.

Distributional Reinforcement Learning for Efficient Exploration

In distributional reinforcement learning (RL), the estimated distribution of value function models both the parametric and intrinsic uncertainties. We propose a novel and efficient exploration method for deep RL that has two components. The first is a decaying schedule to suppress the intrinsic uncertainty. The second is an exploration bonus calculated from the upper quantiles of the learned distribution. In Atari 2600 games, our method outperforms QR-DQN in 12 out of 14 hard games (achieving 483 \% average gain across 49 games in cumulative rewards over QR-DQN with a big win in Venture). We also compared our algorithm with QR-DQN in a challenging 3D driving simulator (CARLA). Results show that our algorithm achieves near-optimal safety rewards twice faster than QRDQN.