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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,…

机器学习 · 计算机科学 2025-09-29 Ziqing Wang , Yibo Wen , William Pattie , Xiao Luo , Weimin Wu , Jerry Yao-Chieh Hu , Abhishek Pandey , Han Liu , Kaize Ding

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…

机器学习 · 计算机科学 2022-08-19 Daolang Huang , Louis Filstroff , Petrus Mikkola , Runkai Zheng , Samuel Kaski

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…

机器学习 · 计算机科学 2025-09-11 Alexander David Goldie , Zilin Wang , Jaron Cohen , Jakob Nicolaus Foerster , Shimon Whiteson

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…

机器学习 · 计算机科学 2025-03-05 Ahmad Farooq , Kamran Iqbal

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…

机器学习 · 计算机科学 2024-09-19 Arthur Müller , Lukas Vollenkemper

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…

机器学习 · 计算机科学 2024-10-30 Gabriele Onorato

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…

机器学习 · 统计学 2019-05-29 Ahsan S. Alvi , Binxin Ru , Jan Calliess , Stephen J. Roberts , Michael A. Osborne

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…

系统与控制 · 电气工程与系统科学 2023-04-25 Wuxia Chen , Taposh Banerjee , Jemin George , Carl Busart

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…

机器学习 · 计算机科学 2025-03-18 Natinael Solomon Neggatu , Jeremie Houssineau , Giovanni Montana

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…

机器学习 · 计算机科学 2023-11-23 Shivakanth Sujit , Pedro H. M. Braga , Jorg Bornschein , Samira Ebrahimi Kahou

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…

机器学习 · 计算机科学 2012-03-19 Robert Glaubius , Terry Tidwell , Christopher Gill , William D. Smart

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…

机器学习 · 计算机科学 2023-02-14 Tianyi Bai , Yang Li , Yu Shen , Xinyi Zhang , Wentao Zhang , Bin Cui

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…

机器人学 · 计算机科学 2021-10-12 Laura Smith , J. Chase Kew , Xue Bin Peng , Sehoon Ha , Jie Tan , Sergey Levine

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…

机器人学 · 计算机科学 2024-08-23 Shuo Yang , Liwen Wang , Yanjun Huang , Hong Chen

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…

机器学习 · 计算机科学 2024-11-11 Pochun Li , Yuyang Xiao , Jinghua Yan , Xuan Li , Xiaoye Wang

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…

机器学习 · 计算机科学 2021-12-21 Zhihui Shao , Jianyi Yang , Cong Shen , Shaolei Ren

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…

机器学习 · 计算机科学 2020-12-25 Nina Mazyavkina , Sergey Sviridov , Sergei Ivanov , Evgeny Burnaev