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We study reinforcement learning in hybrid discrete-continuous action spaces, such as settings where the discrete component selects a regime (or index) and the continuous component optimizes within it -- a structure common in robotics,…

Machine Learning · Computer Science 2026-05-15 Matias Alvo , Daniel Russo , Yash Kanoria

Autodock is a widely used molecular modeling tool which predicts how small molecules bind to a receptor of known 3D structure. The current version of AutoDock uses meta-heuristic algorithms in combination with local search methods for doing…

Machine Learning · Statistics 2018-12-07 Hojjat Rakhshani , Lhassane Idoumghar , Julien Lepagnot , Mathieu Brevilliers , Edward Keedwell

Optimal designs are usually model-dependent and likely to be sub-optimal if the postulated model is not correctly specified. In practice, it is common that a researcher has a list of candidate models at hand and a design has to be found…

Statistics Theory · Mathematics 2023-03-29 Mingyao Ai , Holger Dette , Zhengfu Liu , Jun Yu

Hyper-parameter optimization is one of the most tedious yet crucial steps in training machine learning models. There are numerous methods for this vital model-building stage, ranging from domain-specific manual tuning guidelines suggested…

Machine Learning · Computer Science 2023-03-08 Ahmad Esmaeili , Zahra Ghorrati , Eric T. Matson

Automated machine learning (AutoML) is a collection of techniques designed to automate the machine learning development process. While traditional AutoML approaches have been successfully applied in several critical steps of model…

Machine Learning · Computer Science 2024-12-30 Zekang Yang , Wang Zeng , Sheng Jin , Chen Qian , Ping Luo , Wentao Liu

Modern machine learning models are often constructed taking into account multiple objectives, e.g., minimizing inference time while also maximizing accuracy. Multi-objective hyperparameter optimization (MHPO) algorithms return such…

Machine Learning · Computer Science 2024-02-29 Matthias Feurer , Katharina Eggensperger , Edward Bergman , Florian Pfisterer , Bernd Bischl , Frank Hutter

Bayesian Optimization (BO) is a standard tool for hyperparameter tuning thanks to its sample efficiency on expensive black-box functions. While most BO pipelines begin with uniform random initialization, default hyperparameter values…

Machine Learning · Computer Science 2026-02-10 Nicolás Villagrán Prieto , Eduardo C. Garrido-Merchán

We present AutoOptimization, a novel multi-objective optimization framework for adapting user interfaces. From a user's verbal preferences for changing a UI, our framework guides a prioritization-based Pareto frontier search over candidate…

Human-Computer Interaction · Computer Science 2026-03-30 Zhipeng Li , Christoph Gebhardt , Yi-Chi Liao , Christian Holz

Given the increasing importance of machine learning (ML) in our lives, several algorithmic fairness techniques have been proposed to mitigate biases in the outcomes of the ML models. However, most of these techniques are specialized to…

While Weighted Lasso sparse regression has appealing statistical guarantees that would entail a major real-world impact in finance, genomics, and brain imaging applications, it is typically scarcely adopted due to its complex…

Machine Learning · Computer Science 2022-06-13 Kenan Šehić , Alexandre Gramfort , Joseph Salmon , Luigi Nardi

The adoption of high-fidelity models for many-query optimization problems is majorly limited by the significant computational cost required for their evaluation at every query. Multifidelity Bayesian methods (MFBO) allow to include costly…

Machine Learning · Computer Science 2024-07-08 Francesco Di Fiore , Laura Mainini

Bayesian optimization (BO) is widely used to optimize expensive-to-evaluate black-box functions.BO first builds a surrogate model to represent the objective function and assesses its uncertainty. It then decides where to sample by…

Machine Learning · Computer Science 2024-01-25 Jiayu Zhao , Renyu Yang , Shenghao Qiu , Zheng Wang

The parameter-less hierarchical Bayesian optimization algorithm (hBOA) enables the use of hBOA without the need for tuning parameters for solving each problem instance. There are three crucial parameters in hBOA: (1) the selection pressure,…

Neural and Evolutionary Computing · Computer Science 2007-05-23 Martin Pelikan , Tz-Kai Lin

The recent rise in popularity of Hyperparameter Optimization (HPO) for deep learning has highlighted the role that good hyperparameter (HP) space design can play in training strong models. In turn, designing a good HP space is critically…

Machine Learning · Computer Science 2023-05-29 Shuhei Watanabe , Archit Bansal , Frank Hutter

Bayesian optimization (BO) is a popular framework to optimize black-box functions. In many applications, the objective function can be evaluated at multiple fidelities to enable a trade-off between the cost and accuracy. To reduce the…

Machine Learning · Computer Science 2020-12-11 Shibo Li , Wei Xing , Mike Kirby , Shandian Zhe

As the demand for computational power grows, optimizing code through compilers becomes increasingly crucial. In this context, we focus on fully automatic code optimization techniques that automate the process of selecting and applying code…

Programming Languages · Computer Science 2025-11-11 Yacine Hakimi , Riyadh Baghdadi

Mathematical reasoning is a fundamental capability for large language models (LLMs), yet achieving high performance in this domain remains a significant challenge. The auto-regressive generation process often makes LLMs susceptible to…

Artificial Intelligence · Computer Science 2024-12-02 Xiaoxuan Lou , Chaojie Wang , Bo An

Much of the recent success of deep reinforcement learning has been driven by regularized policy optimization (RPO) algorithms with strong performance across multiple domains. In this family of methods, agents are trained to maximize…

Machine Learning · Computer Science 2022-03-24 Ted Moskovitz , Michael Arbel , Jack Parker-Holder , Aldo Pacchiano

Large Language Model (LLM) systems have been the frontier of AI in many application domains, leading to new challenges and opportunities for hyperparameter optimization (HPO) for the AutoML community. However, this type of system exhibits…

Machine Learning · Computer Science 2026-05-12 Siyu Wu , Yulong Ye , Zezhen Xiang , Pengzhou Chen , Gangda Xiong , Tao Chen

Parameter control and dynamic algorithm configuration study how to dynamically choose suitable configurations of a parametrized algorithm during the optimization process. Despite being an intensively researched topic in evolutionary…

Neural and Evolutionary Computing · Computer Science 2025-07-14 Gianluca Covini , Denis Antipov , Carola Doerr
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