Metaheuristics are widely recognized gradient-free solvers to hard problems that do not meet the rigorous mathematical assumptions of conventional solvers. The automated design of metaheuristic algorithms provides an attractive path to relieve manual design effort and gain enhanced performance beyond human-made algorithms. However, the specific algorithm prototype and linear algorithm representation in the current automated design pipeline restrict the design within a fixed algorithm structure, which hinders discovering novelties and diversity across the metaheuristic family. To address this challenge, this paper proposes a general framework, AutoOpt, for automatically designing metaheuristic algorithms with diverse structures. AutoOpt contains three innovations: (i) A general algorithm prototype dedicated to covering the metaheuristic family as widely as possible. It promotes high-quality automated design on different problems by fully discovering potentials and novelties across the family. (ii) A directed acyclic graph algorithm representation to fit the proposed prototype. Its flexibility and evolvability enable discovering various algorithm structures in a single run of design, thus boosting the possibility of finding high-performance algorithms. (iii) A graph representation embedding method offering an alternative compact form of the graph to be manipulated, which ensures AutoOpt's generality. Experiments on numeral functions and real applications validate AutoOpt's efficiency and practicability.

Assortment optimization has received active explorations in the past few decades due to its practical importance. Despite the extensive literature dealing with optimization algorithms and latent score estimation, uncertainty quantification for the optimal assortment still needs to be explored and is of great practical significance. Instead of estimating and recovering the complete optimal offer set, decision-makers may only be interested in testing whether a given property holds true for the optimal assortment, such as whether they should include several products of interest in the optimal set, or how many categories of products the optimal set should include. This paper proposes a novel inferential framework for testing such properties. We consider the widely adopted multinomial logit (MNL) model, where we assume that each customer will purchase an item within the offered products with a probability proportional to the underlying preference score associated with the product. We reduce inferring a general optimal assortment property to quantifying the uncertainty associated with the sign change point detection of the marginal revenue gaps. We show the asymptotic normality of the marginal revenue gap estimator, and construct a maximum statistic via the gap estimators to detect the sign change point. By approximating the distribution of the maximum statistic with multiplier bootstrap techniques, we propose a valid testing procedure. We also conduct numerical experiments to assess the performance of our method.

Accurately estimating the probability of failure for safety-critical systems is important for certification. Estimation is often challenging due to high-dimensional input spaces, dangerous test scenarios, and computationally expensive simulators; thus, efficient estimation techniques are important to study. This work reframes the problem of black-box safety validation as a Bayesian optimization problem and introduces an algorithm, Bayesian safety validation, that iteratively fits a probabilistic surrogate model to efficiently predict failures. The algorithm is designed to search for failures, compute the most-likely failure, and estimate the failure probability over an operating domain using importance sampling. We introduce a set of three acquisition functions that focus on reducing uncertainty by covering the design space, optimizing the analytically derived failure boundaries, and sampling the predicted failure regions. Mainly concerned with systems that only output a binary indication of failure, we show that our method also works well in cases where more output information is available. Results show that Bayesian safety validation achieves a better estimate of the probability of failure using orders of magnitude fewer samples and performs well across various safety validation metrics. We demonstrate the algorithm on three test problems with access to ground truth and on a real-world safety-critical subsystem common in autonomous flight: a neural network-based runway detection system. This work is open sourced and currently being used to supplement the FAA certification process of the machine learning components for an autonomous cargo aircraft.

For solving combinatorial optimisation problems with metaheuristics, different search operators are applied for sampling new solutions in the neighbourhood of a given solution. It is important to understand the relationship between operators for various purposes, e.g., adaptively deciding when to use which operator to find optimal solutions efficiently. However, it is difficult to theoretically analyse this relationship, especially in the complex solution space of combinatorial optimisation problems. In this paper, we propose to empirically analyse the relationship between operators in terms of the correlation between their local optima and develop a measure for quantifying their relationship. The comprehensive analyses on a wide range of capacitated vehicle routing problem benchmark instances show that there is a consistent pattern in the correlation between commonly used operators. Based on this newly proposed local optima correlation metric, we propose a novel approach for adaptively selecting among the operators during the search process. The core intention is to improve search efficiency by preventing wasting computational resources on exploring neighbourhoods where the local optima have already been reached. Experiments on randomly generated instances and commonly used benchmark datasets are conducted. Results show that the proposed approach outperforms commonly used adaptive operator selection methods.

Control design for robotic systems is complex and often requires solving an optimization to follow a trajectory accurately. Online optimization approaches like Model Predictive Control (MPC) have been shown to achieve great tracking performance, but require high computing power. Conversely, learning-based offline optimization approaches, such as Reinforcement Learning (RL), allow fast and efficient execution on the robot but hardly match the accuracy of MPC in trajectory tracking tasks. In systems with limited compute, such as aerial vehicles, an accurate controller that is efficient at execution time is imperative. We propose an Analytic Policy Gradient (APG) method to tackle this problem. APG exploits the availability of differentiable simulators by training a controller offline with gradient descent on the tracking error. We address training instabilities that frequently occur with APG through curriculum learning and experiment on a widely used controls benchmark, the CartPole, and two common aerial robots, a quadrotor and a fixed-wing drone. Our proposed method outperforms both model-based and model-free RL methods in terms of tracking error. Concurrently, it achieves similar performance to MPC while requiring more than an order of magnitude less computation time. Our work provides insights into the potential of APG as a promising control method for robotics. To facilitate the exploration of APG, we open-source our code and make it available at https://github.com/lis-epfl/apg_trajectory_tracking.

Big-data applications often involve a vast number of observations and features, creating new challenges for variable selection and parameter estimation. This paper presents a novel technique called "slow kill," which utilizes nonconvex constrained optimization, adaptive l The fact that the problem size can decrease during the slow kill iterations makes it particularly effective for large-scale variable screening. The interaction between statistics and optimization provides valuable insights into controlling quantiles, stepsize, and shrinkage parameters in order to relax the regularity conditions required to achieve the desired level of statistical accuracy. Experimental results on real and synthetic data show that slow kill outperforms state-of-the-art algorithms in various situations while being computationally efficient for large-scale data. This paper studies how to build a parsimonious and predictive model in big data applications, where both the number of predictors and the number of observations can be extremely large. Over the past decade, there have been significant advancements in statistical theory for the minimizers of the penalized problem (1). However, modern scientists often encounter challenges with big data, making it impractical to obtain globally optimal estimators even when convexity is present. This paper aims to incorporate computational considerations into statistical modeling, resulting in a new big-data learning framework with theoretical guarantees.

Online inference is becoming a key service product for many businesses, deployed in cloud platforms to meet customer demands. Despite their revenue-generation capability, these services need to operate under tight Quality-of-Service (QoS) and cost budget constraints. This paper introduces KAIROS, a novel runtime framework that maximizes the query throughput while meeting QoS target and a cost budget. KAIROS designs and implements novel techniques to build a pool of heterogeneous compute hardware without online exploration overhead, and distribute inference queries optimally at runtime. Our evaluation using industry-grade deep learning (DL) models shows that KAIROS yields up to 2X the throughput of an optimal homogeneous solution, and outperforms state-of-the-art schemes by up to 70%, despite advantageous implementations of the competing schemes to ignore their exploration overhead.

In this work, we consider a Federated Edge Learning (FEEL) system where training data are randomly generated over time at a set of distributed edge devices with long-term energy constraints. Due to limited communication resources and latency requirements, only a subset of devices is scheduled for participating in the local training process in every iteration. We formulate a stochastic network optimization problem for designing a dynamic scheduling policy that maximizes the time-average data importance from scheduled user sets subject to energy consumption and latency constraints. Our proposed algorithm based on the Lyapunov optimization framework outperforms alternative methods without considering time-varying data importance, especially when the generation of training data shows strong temporal correlation.

Federated learning (FL) has received high interest from researchers and practitioners to train machine learning (ML) models for healthcare. Ensuring the trustworthiness of these models is essential. Especially bias, defined as a disparity in the model's predictive performance across different subgroups, may cause unfairness against specific subgroups, which is an undesired phenomenon for trustworthy ML models. In this research, we address the question to which extent bias occurs in medical FL and how to prevent excessive bias through reward systems. We first evaluate how to measure the contributions of institutions toward predictive performance and bias in cross-silo medical FL with a Shapley value approximation method. In a second step, we design different reward systems incentivizing contributions toward high predictive performance or low bias. We then propose a combined reward system that incentivizes contributions toward both. We evaluate our work using multiple medical chest X-ray datasets focusing on patient subgroups defined by patient sex and age. Our results show that we can successfully measure contributions toward bias, and an integrated reward system successfully incentivizes contributions toward a well-performing model with low bias. While the partitioning of scans only slightly influences the overall bias, institutions with data predominantly from one subgroup introduce a favorable bias for this subgroup. Our results indicate that reward systems, which focus on predictive performance only, can transfer model bias against patients to an institutional level. Our work helps researchers and practitioners design reward systems for FL with well-aligned incentives for trustworthy ML.

Bayesian optimization (BO) is a popular approach for sample-efficient optimization of black-box objective functions. While BO has been successfully applied to a wide range of scientific applications, traditional approaches to single-objective BO only seek to find a single best solution. This can be a significant limitation in situations where solutions may later turn out to be intractable. For example, a designed molecule may turn out to violate constraints that can only be reasonably evaluated after the optimization process has concluded. To address this issue, we propose Rank-Ordered Bayesian Optimization with Trust-regions (ROBOT) which aims to find a portfolio of high-performing solutions that are diverse according to a user-specified diversity metric. We evaluate ROBOT on several real-world applications and show that it can discover large sets of high-performing diverse solutions while requiring few additional function evaluations compared to finding a single best solution.