Robust Maximization of Non-Submodular Objectives

We study the problem of maximizing a monotone set function subject to a cardinality constraint k in the setting where some number of elements is deleted from the returned set. The focus of this work is on the worst-case adversarial setting. While there exist constant-factor guarantees when the function is submodular [1, 2], there are no guarantees for non-submodular objectives. In this work, we present a new algorithm Oblivious-Greedy and prove the first constant-factor approximation guarantees for a wider class of non-submodular objectives. The obtained theoretical bounds are the first constant-factor bounds that also hold in the linear regime, i.e. when the number of deletions is linear in k. Our bounds depend on established parameters such as the submodularity ratio and some novel ones such as the inverse curvature. We bound these parameters for two important objectives including support selection and variance reduction. Finally, we numerically demonstrate the robust performance of Oblivious-Greedy for these two objectives on various datasets

Robust Adaptive Decision Making: Bayesian Optimization and Beyond

The central task in many interactive machine learning systems can be formalized as the sequential optimization of a black-box function. Bayesian optimization (BO) is a powerful model-based framework for \emph{adaptive} experimentation, where the primary goal is the optimization of the black-box function via sequentially chosen decisions. In many real-world tasks, it is essential for the decisions to be \emph{robust} against, e.g., adversarial failures and perturbations, dynamic and time-varying phenomena, a mismatch between simulations and reality, etc. Under such requirements, the standard methods and BO algorithms become inadequate. In this dissertation, we consider four research directions with the goal of enhancing robust and adaptive decision making in BO and associated problems. First, we study the related problem of level-set estimation (LSE) with Gaussian Processes (GPs). While in BO the goal is to find a maximizer of the unknown function, in LSE one seeks to find all "sufficiently good" solutions. We propose an efficient confidence-bound based algorithm that treats BO and LSE in a unified fashion. It is effective in settings that are non-trivial to incorporate into existing algorithms, including cases with pointwise costs, heteroscedastic noise, and multi-fidelity setting. Our main result is a general regret guarantee that covers these aspects. Next, we consider GP optimization with robustness requirement: An adversary may perturb the returned design, and so we seek to find a robust maximizer in the case this occurs. This requirement is motivated by, e.g., settings where the functions during optimization and implementation stages are different. We propose a novel robust confidence-bound based algorithm. The rigorous regret guarantees for this algorithm are established and complemented with an algorithm-independent lower bound. We experimentally demonstrate that our robust approach consistently succeeds in finding a robust maximizer while standard BO methods fail. We then investigate the problem of GP optimization in which the reward function varies with time. The setting is motivated by many practical applications in which the function to be optimized is not static. We model the unknown reward function via a GP whose evolution obeys a simple Markov model. Two confidence-bound based algorithms with the ability to "forget" about old data are proposed. We obtain regret bounds for these algorithms that jointly depend on the time horizon and the rate at which the function varies. Finally, we consider the maximization of a set function subject to a cardinality constraint $k$ in the case a number of items $\tau$ from the returned set may be removed. One notable application is in batch BO where we need to select experiments to run, but some of them can fail. Our focus is on the worst-case adversarial setting, and we consider both \emph{submodular} (i.e., satisfies a natural notion of diminishing returns) and \emph{non-submodular} objectives. We propose robust algorithms that achieve constant-factor approximation guarantees. In the submodular case, the result on the maximum number of allowed removals is improved to $\tau = o(k)$ in comparison to the previously known $\tau=o(\sqrt{k})$. In the non-submodular case, we obtain new guarantees in the support selection and batch BO tasks. We empirically demonstrate the robust performance of our algorithms in these, as well as, in data summarization and influence maximization tasks

Adversarially Robust Optimization with Gaussian Processes

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.Comment: Corrected typo

Maximum n-times Coverage for Vaccine Design

We introduce the maximum $n$-times coverage problem that selects $k$ overlays to maximize the summed coverage of weighted elements, where each element must be covered at least $n$ times. We also define the min-cost $n$-times coverage problem where the objective is to select the minimum set of overlays such that the sum of the weights of elements that are covered at least $n$ times is at least $\tau$. Maximum $n$-times coverage is a generalization of the multi-set multi-cover problem, is NP-complete, and is not submodular. We introduce two new practical solutions for $n$-times coverage based on integer linear programming and sequential greedy optimization. We show that maximum $n$-times coverage is a natural way to frame peptide vaccine design, and find that it produces a pan-strain COVID-19 vaccine design that is superior to 29 other published designs in predicted population coverage and the expected number of peptides displayed by each individual's HLA molecules.Comment: 10 pages, 5 figure

Adversarially Robust Optimization with Gaussian Processes

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