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Reinforcement learning (RL) solves sequential decision-making problems via a trial-and-error process interacting with the environment. While RL achieves outstanding success in playing complex video games that allow huge trial-and-error,…

Machine Learning · Computer Science 2022-06-22 Fan-Ming Luo , Tian Xu , Hang Lai , Xiong-Hui Chen , Weinan Zhang , Yang Yu

Optimal resource allocation in modern communication networks calls for the optimization of objective functions that are only accessible via costly separate evaluations for each candidate solution. The conventional approach carries out the…

Signal Processing · Electrical Eng. & Systems 2023-05-22 Yunchuan Zhang , Osvaldo Simeone , Sharu Theresa Jose , Lorenzo Maggi , Alvaro Valcarce

A Bayesian optimization algorithm for the nurse scheduling problem is presented, which involves choosing a suitable scheduling rule from a set for each nurses assignment. Unlike our previous work that used Gas to implement implicit…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Jingpeng Li , Uwe Aickelin

The fundamental goal of generative drug design is to propose optimized molecules that meet predefined activity, selectivity, and pharmacokinetic criteria. Despite recent progress, we argue that existing generative methods are limited in…

Chemical Physics · Physics 2020-12-17 Julien Horwood , Emmanuel Noutahi

Black-box optimization formulations for biological sequence design have drawn recent attention due to their promising potential impact on the pharmaceutical industry. In this work, we propose to unify two seemingly distinct worlds:…

Machine Learning · Computer Science 2022-02-10 Dinghuai Zhang , Jie Fu , Yoshua Bengio , Aaron Courville

Deep Reinforcement Learning has demonstrated the potential of neural networks tuned with gradient descent for solving complex tasks in well-delimited environments. However, these neural systems are slow learners producing specialized agents…

Machine Learning · Computer Science 2022-10-13 Mathieu Chalvidal , Thomas Serre , Rufin VanRullen

Bayesian optimization has become a successful tool for hyperparameter optimization of machine learning algorithms, such as support vector machines or deep neural networks. Despite its success, for large datasets, training and validating a…

Machine Learning · Computer Science 2017-03-08 Aaron Klein , Stefan Falkner , Simon Bartels , Philipp Hennig , Frank Hutter

As with any task, the process of building machine learning models can benefit from prior experience. Meta-learning for classifier selection leverages knowledge about the characteristics of different datasets and/or the past performance of…

Machine Learning · Computer Science 2025-08-26 Sebastian Maldonado , Carla Vairetti , Ignacio Figueroa

This article develops a Bayesian optimization (BO) method which acts directly over raw strings, proposing the first uses of string kernels and genetic algorithms within BO loops. Recent applications of BO over strings have been hindered by…

Machine Learning · Computer Science 2020-10-05 Henry B. Moss , Daniel Beck , Javier Gonzalez , David S. Leslie , Paul Rayson

With the rise in engineered biomolecular devices, there is an increased need for tailor-made biological sequences. Often, many similar biological sequences need to be made for a specific application meaning numerous, sometimes prohibitively…

Quantitative Methods · Quantitative Biology 2024-10-23 Ruby Sedgwick , John P. Goertz , Molly M. Stevens , Ruth Misener , Mark van der Wilk

A major obstacle in reinforcement learning-based sentence generation is the large action space whose size is equal to the vocabulary size of the target-side language. To improve the efficiency of reinforcement learning, we present a novel…

Computation and Language · Computer Science 2019-04-08 Kazuma Hashimoto , Yoshimasa Tsuruoka

Model-based reinforcement learning approaches leverage a forward dynamics model to support planning and decision making, which, however, may fail catastrophically if the model is inaccurate. Although there are several existing methods…

Machine Learning · Computer Science 2020-09-30 Hang Lai , Jian Shen , Weinan Zhang , Yong Yu

The broader application of reinforcement learning (RL) is limited by challenges including data efficiency, generalization capability, and ability to learn in sparse-reward environments. Meta-learning has emerged as a promising approach to…

Machine Learning · Computer Science 2026-03-05 Octavio Pappalardo , Rodrigo Ramele , Juan Miguel Santos

The emergence and development of cancer is a consequence of the accumulation over time of genomic mutations involving a specific set of genes, which provides the cancer clones with a functional selective advantage. In this work, we model…

Machine Learning · Computer Science 2017-03-10 Daniele Ramazzotti , Marco S. Nobile , Paolo Cazzaniga , Giancarlo Mauri , Marco Antoniotti

Optimizing functions without access to gradients is the remit of black-box methods such as evolution strategies. While highly general, their learning dynamics are often times heuristic and inflexible - exactly the limitations that…

Neural and Evolutionary Computing · Computer Science 2023-03-03 Robert Tjarko Lange , Tom Schaul , Yutian Chen , Tom Zahavy , Valentin Dallibard , Chris Lu , Satinder Singh , Sebastian Flennerhag

Recurrent neural networks (RNNs) are a powerful approach for time series prediction. However, their performance is strongly affected by their architecture and hyperparameter settings. The architecture optimization of RNNs is a…

Machine Learning · Computer Science 2021-04-26 Andrés Camero , Hao Wang , Enrique Alba , Thomas Bäck

Cellular reprogramming can be used for both the prevention and cure of different diseases. However, the efficiency of discovering reprogramming strategies with classical wet-lab experiments is hindered by lengthy time commitments and high…

Machine Learning · Computer Science 2025-03-04 Andrzej Mizera , Jakub Zarzycki

Model selection is an integral problem of model based optimization techniques such as Bayesian optimization (BO). Current approaches often treat model selection as an estimation problem, to be periodically updated with observations coming…

Machine Learning · Computer Science 2023-08-02 Manisha Senadeera , Santu Rana , Sunil Gupta , Svetha Venkatesh

Bayesian Optimization (BO) is a method for globally optimizing black-box functions. While BO has been successfully applied to many scenarios, developing effective BO algorithms that scale to functions with high-dimensional domains is still…

Machine Learning · Computer Science 2024-02-13 Yihang Shen , Carl Kingsford

Classical Bayesian persuasion studies how a sender influences receivers through carefully designed signaling policies within a single strategic interaction. In many real-world environments, such interactions are repeated across multiple…

Computer Science and Game Theory · Computer Science 2026-03-24 Ata Poyraz Turna , Asrin Efe Yorulmaz , Tamer Başar