Bayesian optimization (BO) is a model-based approach for gradient-free black-box function optimization, such as hyperparameter optimization. Typically, BO relies on conventional Gaussian process (GP) regression, whose algorithmic complexity is cubic in the number of evaluations. As a result, GP-based BO cannot leverage large numbers of past function evaluations, for example, to warm-start related BO runs. We propose a multi-task adaptive Bayesian linear regression model for transfer learning in BO, whose complexity is linear in the function evaluations: one Bayesian linear regression model is associated to each black-box function optimization problem (or task), while transfer learning is achieved by coupling the models through a shared deep neural net. Experiments show that the neural net learns a representation suitable for warm-starting the black-box optimization problems and that BO runs can be accelerated when the target black-box function (e.g., validation loss) is learned together with other related signals (e.g., training loss). The proposed method was found to be at least one order of magnitude faster than competing methods recently published in the literature.

We present a novel method for convex unconstrained optimization that, without any modifications ensures: (1) accelerated convergence rate for smooth objectives, (2) standard convergence rate in the general (non-smooth) setting, and (3) standard convergence rate in the stochastic optimization setting. To the best of our knowledge, this is the first method that simultaneously applies to all of the above settings. At the heart of our method is an adaptive learning rate rule that employs importance weights, in the spirit of adaptive online learning algorithms [duchi2011adaptive,levy2017online], combined with an update that linearly couples two sequences, in the spirit of [AllenOrecchia2017]. An empirical examination of our method demonstrates its applicability to the above mentioned scenarios and corroborates our theoretical findings.

In this paper, we consider the problem of Gaussian process (GP) optimization with an added robustness requirement: The returned point may be perturbed by an adversary, and we require the function value to remain as high as possible even after this perturbation. This problem is motivated by settings in which the underlying functions during optimization and implementation stages are different, or when one is interested in finding an entire region of good inputs rather than only a single point. We show that standard GP optimization algorithms do not exhibit the desired robustness properties, and provide a novel confidence-bound based algorithm StableOpt for this purpose. We rigorously establish the required number of samples for StableOpt to find a near-optimal point, and we complement this guarantee with an algorithm-independent lower bound. We experimentally demonstrate several potential applications of interest using real-world data sets, and we show that StableOpt consistently succeeds in finding a stable maximizer where several baseline methods fail.

Robust matrix factorization (RMF), which uses the $\ell_1$-loss, often outperforms standard matrix factorization using the $\ell_2$-loss, particularly when outliers are present. The state-of-the-art RMF solver is the RMF-MM algorithm, which, however, cannot utilize data sparsity. Moreover, sometimes even the (convex) $\ell_1$-loss is not robust enough. In this paper, we propose the use of nonconvex loss to enhance robustness. To address the resultant difficult optimization problem, we use majorization-minimization (MM) optimization and propose a new MM surrogate. To improve scalability, we exploit data sparsity and optimize the surrogate via its dual with the accelerated proximal gradient algorithm. The resultant algorithm has low time and space complexities and is guaranteed to converge to a critical point. Extensive experiments demonstrate its superiority over the state-of-the-art in terms of both accuracy and scalability.

We propose stochastic optimization algorithms that can find local minima faster than existing algorithms for nonconvex optimization problems, by exploiting the third-order smoothness to escape non-degenerate saddle points more efficiently. More specifically, the proposed algorithm only needs $\tilde{O}(\epsilon^{-10/3})$ stochastic gradient evaluations to converge to an approximate local minimum $\mathbf{x}$, which satisfies $\|\nabla f(\mathbf{x})\|_2\leq\epsilon$ and $\lambda_{\min}(\nabla^2 f(\mathbf{x}))\geq -\sqrt{\epsilon}$ in unconstrained stochastic optimization, where $\tilde{O}(\cdot)$ hides logarithm polynomial terms and constants. This improves upon the $\tilde{O}(\epsilon^{-7/2})$ gradient complexity achieved by the state-of-the-art stochastic local minima finding algorithms by a factor of $\tilde{O}(\epsilon^{-1/6})$. Experiments on two nonconvex optimization problems demonstrate the effectiveness of our algorithm and corroborate our theory.

In this paper, we propose a novel maximum causal Tsallis entropy (MCTE) framework for imitation learning which can efficiently learn a sparse multi-modal policy distribution from demonstrations. We provide the full mathematical analysis of the proposed framework. First, the optimal solution of an MCTE problem is shown to be a sparsemax distribution, whose supporting set can be adjusted. The proposed method has advantages over a softmax distribution in that it can exclude unnecessary actions by assigning zero probability. Second, we prove that an MCTE problem is equivalent to robust Bayes estimation in the sense of the Brier score. Third, we propose a maximum causal Tsallis entropy imitation learning (MCTEIL) algorithm with a sparse mixture density network (sparse MDN) by modeling mixture weights using a sparsemax distribution. In particular, we show that the causal Tsallis entropy of an MDN encourages exploration and efficient mixture utilization while Boltzmann Gibbs entropy is less effective. We validate the proposed method in two simulation studies and MCTEIL outperforms existing imitation learning methods in terms of average returns and learning multi-modal policies.

We use differential equations based approaches to provide some {\it \textbf{physics}} insights into analyzing the dynamics of popular optimization algorithms in machine learning. In particular, we study gradient descent, proximal gradient descent, coordinate gradient descent, proximal coordinate gradient, and Newton's methods as well as their Nesterov's accelerated variants in a unified framework motivated by a natural connection of optimization algorithms to physical systems. Our analysis is applicable to more general algorithms and optimization problems {\it \textbf{beyond}} convexity and strong convexity, e.g. Polyak-\L ojasiewicz and error bound conditions (possibly nonconvex).

Metric learning, aiming to learn a discriminative Mahalanobis distance matrix M that can effectively reflect the similarity between data samples, has been widely studied in various image recognition problems. Most of the existing metric learning methods input the features extracted directly from the original data in the preprocess phase. What's worse, these features usually take no consideration of the local geometrical structure of the data and the noise that exists in the data, thus they may not be optimal for the subsequent metric learning task. In this paper, we integrate both feature extraction and metric learning into one joint optimization framework and propose a new bilevel distance metric learning model. Specifically, the lower level characterizes the intrinsic data structure using graph regularized sparse coefficients, while the upper level forces the data samples from the same class to be close to each other and pushes those from different classes far away. In addition, leveraging the KKT conditions and the alternating direction method (ADM), we derive an efficient algorithm to solve the proposed new model. Extensive experiments on various occluded datasets demonstrate the effectiveness and robustness of our method.

We consider the problem of minimizing a smooth convex function by reducing the optimization to computing the Nash equilibrium of a particular zero-sum convex-concave game. Zero-sum games can be solved using online learning dynamics, where a classical technique involves simulating two no-regret algorithms that play against each other and, after $T$ rounds, the average iterate is guaranteed to solve the original optimization problem with error decaying as $O(\log T/T)$. In this paper we show that the technique can be enhanced to a rate of $O(1/T^2)$ by extending recent work \cite{RS13,SALS15} that leverages \textit{optimistic learning} to speed up equilibrium computation. The resulting optimization algorithm derived from this analysis coincides \textit{exactly} with the well-known \NA \cite{N83a} method, and indeed the same story allows us to recover several variants of the Nesterov's algorithm via small tweaks. We are also able to establish the accelerated linear rate for a function which is both strongly-convex and smooth. This methodology unifies a number of different iterative optimization methods: we show that the \HB algorithm is precisely the non-optimistic variant of \NA, and recent prior work already established a similar perspective on \FW \cite{AW17,ALLW18}.

Optimization is an integral part of most machine learning systems and most numerical optimization schemes rely on the computation of derivatives. Therefore, frameworks for computing derivatives are an active area of machine learning research. Surprisingly, as of yet, no existing framework is capable of computing higher order matrix and tensor derivatives directly. Here, we close this fundamental gap and present an algorithmic framework for computing matrix and tensor derivatives that extends seamlessly to higher order derivatives. The framework can be used for symbolic as well as for forward and reverse mode automatic differentiation. Experiments show a speedup of up to two orders of magnitude over state-of-the-art frameworks when evaluating higher order derivatives on CPUs and a speedup of about three orders of magnitude on GPUs.