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As big data becomes ubiquitous across domains, and more and more stakeholders aspire to make the most of their data, demand for machine learning tools has spurred researchers to explore the possibilities of automated machine learning…

To solve a machine learning problem, one typically needs to perform data preprocessing, modeling, and hyperparameter tuning, which is known as model selection and hyperparameter optimization.The goal of automated machine learning (AutoML)…

Machine Learning · Computer Science 2019-04-19 Weilin Zhou , Frederic Precioso

Automated Machine Learning (AutoML) gained popularity due to the increased demand for Machine Learning (ML) specialists, allowing them to apply ML techniques effortlessly and quickly. AutoML implementations use optimisation methods to…

Machine Learning · Computer Science 2025-04-15 Joana Simões , João Correia

This paper proposes a knowledge-driven AutoML architecture for pipeline and deep feature synthesis. The main goal is to render the AutoML process explainable and to leverage domain knowledge in the synthesis of pipelines and features. The…

Machine Learning · Computer Science 2023-11-30 Corneliu Cofaru , Johan Loeckx

Machine learning (ML) is revolutionising drug discovery by expediting the prediction of small molecule properties essential for developing new drugs. These properties -- including absorption, distribution, metabolism and excretion (ADME)--…

Machine Learning · Computer Science 2024-08-02 Alex G. C. de Sá , David B. Ascher

The pipeline optimization problem in machine learning requires simultaneous optimization of pipeline structures and parameter adaptation of their elements. Having an elegant way to express these structures can help lessen the complexity in…

Machine Learning · Computer Science 2021-07-15 Paulito P. Palmes , Akihiro Kishimoto , Radu Marinescu , Parikshit Ram , Elizabeth Daly

Machine learning interatomic potentials (MLIPs) have become powerful tools to extend molecular simulations beyond the limits of quantum methods, offering near-quantum accuracy at much lower computational cost. Yet, developing reliable MLIPs…

Materials Science · Physics 2025-12-30 Adam Lahouari , Jutta Rogal , Mark E. Tuckerman

Machine learning (ML) methods have been developing rapidly, but configuring and selecting proper methods to achieve a desired performance is increasingly difficult and tedious. To address this challenge, automated machine learning (AutoML)…

Artificial Intelligence · Computer Science 2024-02-28 Zhenqian Shen , Yongqi Zhang , Lanning Wei , Huan Zhao , Quanming Yao

Data Pipeline plays an indispensable role in tasks such as modeling machine learning and developing data products. With the increasing diversification and complexity of Data sources, as well as the rapid growth of data volumes, building an…

Machine Learning · Computer Science 2024-02-21 Jiang Wu , Hongbo Wang , Chunhe Ni , Chenwei Zhang , Wenran Lu

Automated machine learning (AutoML) aims to find optimal machine learning solutions automatically given a machine learning problem. It could release the burden of data scientists from the multifarious manual tuning process and enable the…

Machine Learning · Computer Science 2019-07-23 Yi-Wei Chen , Qingquan Song , Xia Hu

The effectiveness of the machine learning methods for real-world tasks depends on the proper structure of the modeling pipeline. The proposed approach is aimed to automate the design of composite machine learning pipelines, which is…

An essential task of Automated Machine Learning (AutoML) is the problem of automatically finding the pipeline with the best generalization performance on a given dataset. This problem has been addressed with sophisticated black-box…

Machine Learning · Computer Science 2021-11-30 Felix Mohr , Marcel Wever

Automatic machine learning (\AML) is a family of techniques to automate the process of training predictive models, aiming to both improve performance and make machine learning more accessible. While many recent works have focused on aspects…

Machine Learning · Computer Science 2020-03-24 Nadiia Chepurko , Ryan Marcus , Emanuel Zgraggen , Raul Castro Fernandez , Tim Kraska , David Karger

With the booming demand for machine learning applications, it has been recognized that the number of knowledgeable data scientists can not scale with the growing data volumes and application needs in our digital world. In response to this…

Machine Learning · Computer Science 2023-04-13 Hassan Eldeeb , Mohamed Maher , Radwa Elshawi , Sherif Sakr

Automated Machine Learning (AutoML) supports practitioners and researchers with the tedious task of designing machine learning pipelines and has recently achieved substantial success. In this paper, we introduce new AutoML approaches…

Machine Learning · Computer Science 2022-10-05 Matthias Feurer , Katharina Eggensperger , Stefan Falkner , Marius Lindauer , Frank Hutter

Automated Reinforcement Learning (AutoRL) is a relatively new area of research that is gaining increasing attention. The objective of AutoRL consists in easing the employment of Reinforcement Learning (RL) techniques for the broader public…

Machine Learning · Computer Science 2022-05-24 Marco Mussi , Davide Lombarda , Alberto Maria Metelli , Francesco Trovò , Marcello Restelli

We introduce an automatic machine learning (AutoML) modeling architecture called Autostacker, which combines an innovative hierarchical stacking architecture and an Evolutionary Algorithm (EA) to perform efficient parameter search. Neither…

Machine Learning · Computer Science 2018-03-05 Boyuan Chen , Harvey Wu , Warren Mo , Ishanu Chattopadhyay , Hod Lipson

Recent work has made significant progress in helping users to automate single data preparation steps, such as string-transformations and table-manipulation operators (e.g., Join, GroupBy, Pivot, etc.). We in this work propose to automate…

Databases · Computer Science 2021-08-05 Junwen Yang , Yeye He , Surajit Chaudhuri

Automated machine learning (AutoML) is the sub-field of machine learning that aims at automating, to some extend, all stages of the design of a machine learning system. In the context of supervised learning, AutoML is concerned with feature…

Machine Learning · Computer Science 2020-08-25 Hugo Jair Escalante

Recent advancements in software and hardware technologies have enabled the use of AI/ML models in everyday applications has significantly improved the quality of service rendered. However, for a given application, finding the right AI/ML…

Machine Learning · Computer Science 2023-04-19 Haoxiang Zhang , Juliana Freire , Yash Garg