The ability to accelerate the design of biological sequences can have a substantial impact on the progress of the medical field. The problem can be framed as a global optimization problem where the objective is an expensive black-box function such that we can query large batches restricted with a limitation of a low number of rounds. Bayesian Optimization is a principled method for tackling this problem. However, the astronomically large state space of biological sequences renders brute-force iterating over all possible sequences infeasible. In this paper, we propose MetaRLBO where we train an autoregressive generative model via Meta-Reinforcement Learning to propose promising sequences for selection via Bayesian Optimization. We pose this problem as that of finding an optimal policy over a distribution of MDPs induced by sampling subsets of the data acquired in the previous rounds. Our in-silico experiments show that meta-learning over such ensembles provides robustness against reward misspecification and achieves competitive results compared to existing strong baselines.

Distributed pose graph optimization (DPGO) is one of the fundamental techniques of swarm robotics. Currently, the sub-problems of DPGO are built on the native poses. Our validation proves that this approach may introduce an imbalance in the sizes of the sub-problems in real-world scenarios, which affects the speed of DPGO optimization, and potentially increases communication requirements. In addition, the coherence of the estimated poses is not guaranteed when the robots in the swarm fail, or partial robots are disconnected. In this paper, we propose BDPGO, a balanced distributed pose graph optimization framework using the idea of decoupling the robot poses and DPGO. BDPGO re-distributes the poses in the pose graph to the robot swarm in a balanced way by introducing a two-stage graph partitioning method to build balanced subproblems. Our validation demonstrates that BDPGO significantly improves the optimization speed without changing the specific algorithm of DPGO in realistic datasets. What's more, we also validate that BDPGO is robust to robot failure, changes in the wireless network. BDPGO has capable of keeps the coherence of the estimated poses in these situations. The framework also has the potential to be applied to other collaborative simultaneous localization and mapping (CSLAM) problems involved in distributedly solving the factor graph.

We propose a framework for the configuration and operation of expensive-to-evaluate advanced manufacturing methods, based on Bayesian optimization. The framework unifies a tailored acquisition function, a parallel acquisition procedure, and the integration of process information providing context to the optimization procedure. \cmtb{The novel acquisition function is demonstrated, analyzed and compared on state-of-the-art benchmarking problems. We apply the optimization approach to atmospheric plasma spraying and fused deposition modeling.} Our results demonstrate that the proposed framework can efficiently find input parameters that produce the desired outcome and minimize the process cost.

The comparison of local characteristics of two random processes can shed light on periods of time or space at which the processes differ the most. This paper proposes a method that learns about regions with a certain volume, where the marginal attributes of two processes are less similar. The proposed methods are devised in full generality for the setting where the data of interest are themselves stochastic processes, and thus the proposed method can be used for pointing out the regions of maximum dissimilarity with a certain volume, in the contexts of functional data, time series, and point processes. The parameter functions underlying both stochastic processes of interest are modeled via a basis representation, and Bayesian inference is conducted via an integrated nested Laplace approximation. The numerical studies validate the proposed methods, and we showcase their application with case studies on criminology, finance, and medicine.

We study the feature-based newsvendor problem, in which a decision-maker has access to historical data consisting of demand observations and exogenous features. In this setting, we investigate feature selection, aiming to derive sparse, explainable models with improved out-of-sample performance. Up to now, state-of-the-art methods utilize regularization, which penalizes the number of selected features or the norm of the solution vector. As an alternative, we introduce a novel bilevel programming formulation. The upper-level problem selects a subset of features that minimizes an estimate of the out-of-sample cost of ordering decisions based on a held-out validation set. The lower-level problem learns the optimal coefficients of the decision function on a training set, using only the features selected by the upper-level. We present a mixed integer linear program reformulation for the bilevel program, which can be solved to optimality with standard optimization solvers. Our computational experiments show that the method accurately recovers ground-truth features already for instances with a sample size of a few hundred observations. In contrast, regularization-based techniques often fail at feature recovery or require thousands of observations to obtain similar accuracy. Regarding out-of-sample generalization, we achieve improved or comparable cost performance.

Many scenarios where agents with restrictions compete for resources can be cast as maximum matching problems on bipartite graphs. Our focus is on resource allocation problems where agents may have restrictions that make them incompatible with some resources. We assume that a Principle chooses a maximum matching randomly so that each agent is matched to a resource with some probability. Agents would like to improve their chances of being matched by modifying their restrictions within certain limits. The Principle's goal is to advise an unsatisfied agent to relax its restrictions so that the total cost of relaxation is within a budget (chosen by the agent) and the increase in the probability of being assigned a resource is maximized. We establish hardness results for some variants of this budget-constrained maximization problem and present algorithmic results for other variants. We experimentally evaluate our methods on synthetic datasets as well as on two novel real-world datasets: a vacation activities dataset and a classrooms dataset.

Model explainability has become an important problem in machine learning (ML) due to the increased effect that algorithmic predictions have on humans. Explanations can help users understand not only why ML models make certain predictions, but also how these predictions can be changed. In this thesis, we examine the explainability of ML models from three vantage points: algorithms, users, and pedagogy, and contribute several novel solutions to the explainability problem.

The goal of a sequential decision making problem is to design an interactive policy that adaptively selects a group of items, each selection is based on the feedback from the past, in order to maximize the expected utility of selected items. It has been shown that the utility functions of many real-world applications are adaptive submodular. However, most of existing studies on adaptive submodular optimization focus on the average-case. Unfortunately, a policy that has a good average-case performance may have very poor performance under the worst-case realization. In this study, we propose to study two variants of adaptive submodular optimization problems, namely, worst-case adaptive submodular maximization and robust submodular maximization. The first problem aims to find a policy that maximizes the worst-case utility and the latter one aims to find a policy, if any, that achieves both near optimal average-case utility and worst-case utility simultaneously. We introduce a new class of stochastic functions, called \emph{worst-case submodular function}. For the worst-case adaptive submodular maximization problem subject to a $p$-system constraint, we develop an adaptive worst-case greedy policy that achieves a $\frac{1}{p+1}$ approximation ratio against the optimal worst-case utility if the utility function is worst-case submodular. For the robust adaptive submodular maximization problem subject to cardinality constraints (resp. partition matroid constraints), if the utility function is both worst-case submodular and adaptive submodular, we develop a hybrid adaptive policy that achieves an approximation close to $1-e^{-\frac{1}{2}}$ (resp. $1/3$) under both worst- and average-case settings simultaneously. We also describe several applications of our theoretical results, including pool-base active learning, stochastic submodular set cover and adaptive viral marketing.

The problem of establishing out-of-sample bounds for the values of an unkonwn ground-truth function is considered. Kernels and their associated Hilbert spaces are the main formalism employed herein along with an observational model where outputs are corrupted by bounded measurement noise. The noise can originate from any compactly supported distribution and no independence assumptions are made on the available data. In this setting, we show how computing tight, finite-sample uncertainty bounds amounts to solving parametric quadratically constrained linear programs. Next, properties of our approach are established and its relationship with another methods is studied. Numerical experiments are presented to exemplify how the theory can be applied in a number of scenarios, and to contrast it with other closed-form alternatives.

Choosing an appropriate parameter set for the designed controller is critical for the final performance but usually requires a tedious and careful tuning process, which implies a strong need for automatic tuning methods. However, among existing methods, derivative-free ones suffer from poor scalability or low efficiency, while gradient-based ones are often unavailable due to possibly non-differentiable controller structure. To resolve the issues, we tackle the controller tuning problem using a novel derivative-free reinforcement learning (RL) framework, which performs timestep-wise perturbation in parameter space during experience collection and integrates derivative-free policy updates into the advanced actor-critic RL architecture to achieve high versatility and efficiency. To demonstrate the framework's efficacy, we conduct numerical experiments on two concrete examples from autonomous driving, namely, adaptive cruise control with PID controller and trajectory tracking with MPC controller. Experimental results show that the proposed method outperforms popular baselines and highlight its strong potential for controller tuning.