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Machine Learning (ML) is increasingly used to automate impactful decisions, which leads to concerns regarding their correctness, reliability, and fairness. We envision highly-automated software platforms to assist data scientists with…

Databases · Computer Science 2024-09-04 Stefan Grafberger

Automatic machine learning (AutoML) is an area of research aimed at automating machine learning (ML) activities that currently require human experts. One of the most challenging tasks in this field is the automatic generation of end-to-end…

Machine Learning · Computer Science 2019-11-04 Yuval Heffetz , Roman Vainstein , Gilad Katz , Lior Rokach

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 automated machine learning (AutoML) process can require searching through complex configuration spaces of not only machine learning (ML) components and their hyperparameters but also ways of composing them together, i.e. forming ML…

Machine Learning · Computer Science 2022-08-10 David Jacob Kedziora , Tien-Dung Nguyen , Katarzyna Musial , Bogdan Gabrys

In this paper we present MLaut (Machine Learning AUtomation Toolbox) for the python data science ecosystem. MLaut automates large-scale evaluation and benchmarking of machine learning algorithms on a large number of datasets. MLaut provides…

Machine Learning · Computer Science 2019-01-14 Viktor Kazakov , Franz J. Király

Automating machine learning has achieved remarkable technological developments in recent years, and building an automated machine learning pipeline is now an essential task. The model ensemble is the technique of combining multiple models…

Machine Learning · Computer Science 2022-07-21 Yunpu Zhao , Rui Zhang , Xiaqing Li

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

Automatic machine learning, or AutoML, holds the promise of truly democratizing the use of machine learning (ML), by substantially automating the work of data scientists. However, the huge combinatorial search space of candidate pipelines…

Machine Learning · Computer Science 2022-04-21 Ripon K. Saha , Akira Ura , Sonal Mahajan , Chenguang Zhu , Linyi Li , Yang Hu , Hiroaki Yoshida , Sarfraz Khurshid , Mukul R. Prasad

Machine learning can provide deep insights into data, allowing machines to make high-quality predictions and having been widely used in real-world applications, such as text mining, visual classification, and recommender systems. However,…

Machine Learning · Computer Science 2020-08-11 Meng Wang , Weijie Fu , Xiangnan He , Shijie Hao , Xindong Wu

Automated Machine Learning (AutoML) is the problem of automatically finding the pipeline with the best generalization performance on some given dataset. AutoML has received enormous attention in the last decade and has been addressed with…

Machine Learning · Computer Science 2021-03-22 Felix Mohr , Marcel Wever

By conditioning on natural language instructions, large language models (LLMs) have displayed impressive capabilities as general-purpose computers. However, task performance depends significantly on the quality of the prompt used to steer…

Machine Learning · Computer Science 2023-03-13 Yongchao Zhou , Andrei Ioan Muresanu , Ziwen Han , Keiran Paster , Silviu Pitis , Harris Chan , Jimmy Ba

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

Automated machine learning (AutoML) algorithms have grown in popularity due to their high performance and flexibility to adapt to different problems and data sets. With the increasing number of AutoML algorithms, deciding which would best…

Machine Learning · Computer Science 2023-03-10 Pedro Henrique Ribeiro , Patryk Orzechowski , Joost Wagenaar , Jason H. Moore

Systematic reviews, which entail the extraction of data from large numbers of scientific documents, are an ideal avenue for the application of machine learning. They are vital to many fields of science and philanthropy, but are very…

Computation and Language · Computer Science 2020-10-12 Seraphina Goldfarb-Tarrant , Alexander Robertson , Jasmina Lazic , Theodora Tsouloufi , Louise Donnison , Karen Smyth

Machine learning in practice often involves complex pipelines for data cleansing, feature engineering, preprocessing, and prediction. These pipelines are composed of operators, which have to be correctly connected and whose hyperparameters…

Software Engineering · Computer Science 2023-10-03 Julian Dolby , Jason Tsay , Martin Hirzel

Machine learning (ML) is now commonplace, powering data-driven applications in various organizations. Unlike the traditional perception of ML in research, ML production pipelines are complex, with many interlocking analytical components…

Databases · Computer Science 2021-03-31 Doris Xin , Hui Miao , Aditya Parameswaran , Neoklis Polyzotis

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

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Machine learning is a general-purpose technology holding promises for many interdisciplinary research problems. However, significant barriers exist in crossing disciplinary boundaries when most machine learning tools are developed in…

Machine Learning · Computer Science 2021-06-21 Haiping Lu , Xianyuan Liu , Robert Turner , Peizhen Bai , Raivo E Koot , Shuo Zhou , Mustafa Chasmai , Lawrence Schobs

The growing number of pretrained models in Machine Learning (ML) presents significant challenges for practitioners. Given a new dataset, they need to determine the most suitable deep learning (DL) pipeline, consisting of the pretrained…

Machine Learning · Computer Science 2025-06-17 Fabio Ferreira