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Reinforcement learning (RL) has been shown to be effective at learning control from experience. However, RL typically requires a large amount of online interaction with the environment. This limits its applicability to real-world settings,…

Lead optimization in drug discovery requires efficiently navigating vast chemical space through iterative cycles to enhance molecular properties while preserving structural similarity to the original lead compound. Despite recent advances,…

Bayesian optimization (BO) is a well-established method to optimize black-box functions whose direct evaluations are costly. In this paper, we tackle the problem of incorporating expert knowledge into BO, with the goal of further…

The process of meta-learning algorithms from data, instead of relying on manual design, is growing in popularity as a paradigm for improving the performance of machine learning systems. Meta-learning shows particular promise for…

Reinforcement Learning (RL) has become a critical tool for optimization challenges within automation, leading to significant advancements in several areas. This review article examines the current landscape of RL within automation, with a…

The integration of Reinforcement Learning (RL) with heuristic methods is an emerging trend for solving optimization problems, which leverages RL's ability to learn from the data generated during the search process. One promising approach is…

This study investigates the application of Bayesian Optimization (BO) for the hyperparameter tuning of neural networks, specifically targeting the enhancement of Convolutional Neural Networks (CNN) for image classification tasks. Bayesian…

Batch Bayesian optimisation (BO) has been successfully applied to hyperparameter tuning using parallel computing, but it is wasteful of resources: workers that complete jobs ahead of others are left idle. We address this problem by…

The problem of reinforcement learning is considered where the environment or the model undergoes a change. An algorithm is proposed that an agent can apply in such a problem to achieve the optimal long-time discounted reward. The algorithm…

Offline reinforcement learning (RL) looks at learning how to optimally solve tasks using a fixed dataset of interactions from the environment. Many off-policy algorithms developed for online learning struggle in the offline setting as they…

Reinforcement learning (RL) has shown great promise with algorithms learning in environments with large state and action spaces purely from scalar reward signals. A crucial challenge for current deep RL algorithms is that they require a…

Cyber-physical systems, such as mobile robots, must respond adaptively to dynamic operating conditions. Effective operation of these systems requires that sensing and actuation tasks are performed in a timely manner. Additionally, execution…

Most machine learning algorithms are configured by one or several hyperparameters that must be carefully chosen and often considerably impact performance. To avoid a time consuming and unreproducible manual trial-and-error process to find…

A wide spectrum of design and decision problems, including parameter tuning, A/B testing and drug design, intrinsically are instances of black-box optimization. Bayesian optimization (BO) is a powerful tool that models and optimizes such…

Legged robots are physically capable of traversing a wide range of challenging environments, but designing controllers that are sufficiently robust to handle this diversity has been a long-standing challenge in robotics. Reinforcement…

Automation is one of the cornerstones of contemporary material discovery. Bayesian optimization (BO) is an essential part of such workflows, enabling scientists to leverage prior domain knowledge into efficient exploration of a large…

Autonomous vehicles with a self-evolving ability are expected to cope with unknown scenarios in the real-world environment. Take advantage of trial and error mechanism, reinforcement learning is able to self evolve by learning the optimal…

This study presents a novel computer system performance optimization and adaptive workload management scheduling algorithm based on Q-learning. In modern computing environments, characterized by increasing data volumes, task complexity, and…

Learning to optimize (L2O) has recently emerged as a promising approach to solving optimization problems by exploiting the strong prediction power of neural networks and offering lower runtime complexity than conventional solvers. While L2O…

Many traditional algorithms for solving combinatorial optimization problems involve using hand-crafted heuristics that sequentially construct a solution. Such heuristics are designed by domain experts and may often be suboptimal due to the…