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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) is a promising direction for democratizing AI by automatically deploying Machine Learning systems with minimal human expertise. The core technical challenge behind AutoML is optimizing the pipelines of…

Machine Learning · Computer Science 2023-05-26 Sebastian Pineda Arango , Josif Grabocka

Machine learning (ML) offers powerful methods for detecting and modeling associations often in data with large feature spaces and complex associations. Many useful tools/packages (e.g. scikit-learn) have been developed to make the various…

Machine Learning · Computer Science 2022-06-27 Ryan J. Urbanowicz , Robert Zhang , Yuhan Cui , Pranshu Suri

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

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 pipeline (ML) composition and optimisation aim at automating the process of finding the most promising ML pipelines within allocated resources (i.e., time, CPU and memory). Existing methods, such as Bayesian-based…

Machine Learning · Computer Science 2020-11-25 Tien-Dung Nguyen , Bogdan Gabrys , Katarzyna Musial

Automated Machine Learning (AutoML) has been used successfully in settings where the learning task is assumed to be static. In many real-world scenarios, however, the data distribution will evolve over time, and it is yet to be shown…

Machine Learning · Computer Science 2022-12-08 Bilge Celik , Prabhant Singh , Joaquin Vanschoren

We study the AutoML problem of automatically configuring machine learning pipelines by jointly selecting algorithms and their appropriate hyper-parameters for all steps in supervised learning pipelines. This black-box (gradient-free)…

Automated machine learning (AutoML) aims for constructing machine learning (ML) pipelines automatically. Many studies have investigated efficient methods for algorithm selection and hyperparameter optimization. However, methods for ML…

Machine Learning · Computer Science 2021-01-27 Marc-André Zöller , Tien-Dung Nguyen , Marco F. Huber

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

The evaluation of machine learning (ML) pipelines is essential during automatic ML pipeline composition and optimisation. The previous methods such as Bayesian-based and genetic-based optimisation, which are implemented in Auto-Weka,…

Machine Learning · Computer Science 2020-02-04 Tien-Dung Nguyen , Tomasz Maszczyk , Katarzyna Musial , Marc-Andre Zöller , Bogdan Gabrys

Machines learning techniques plays a preponderant role in dealing with massive amount of data and are employed in almost every possible domain. Building a high quality machine learning model to be deployed in production is a challenging…

Machine Learning · Computer Science 2019-07-02 Alexandre Quemy

Building a machine learning (ML) pipeline in an automated way is a crucial and complex task as it is constrained with the available time budget and resources. This encouraged the research community to introduce several solutions to utilize…

Machine Learning · Computer Science 2020-01-01 Hassan Eldeeb , Abdelrhman Eldallal

LLM post-training pipelines that combine supervised fine-tuning and reinforcement learning are difficult to configure under realistic compute budgets: the configuration space is high-dimensional and heterogeneous, stages are strongly…

Machine Learning · Computer Science 2026-03-20 Channe Chwa , Xinle Wu , Yao Lu

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

With the demand for machine learning increasing, so does the demand for tools which make it easier to use. Automated machine learning (AutoML) tools have been developed to address this need, such as the Tree-Based Pipeline Optimization Tool…

Neural and Evolutionary Computing · Computer Science 2018-03-13 Pieter Gijsbers , Joaquin Vanschoren , Randal S. Olson

Optimizing a machine learning pipeline for a task at hand requires careful configuration of various hyperparameters, typically supported by an AutoML system that optimizes the hyperparameters for the given training dataset. Yet, depending…

Machine Learning · Computer Science 2023-10-17 Felix Neutatz , Marius Lindauer , Ziawasch Abedjan

Data pipelines are essential in stream processing as they enable the efficient collection, processing, and delivery of real-time data, supporting rapid data analysis. In this paper, we present AutoStreamPipe, a novel framework that employs…

Artificial Intelligence · Computer Science 2025-10-28 Abolfazl Younesi , Zahra Najafabadi Samani , Thomas Fahringer

As data science continues to grow in popularity, there will be an increasing need to make data science tools more scalable, flexible, and accessible. In particular, automated machine learning (AutoML) systems seek to automate the process of…

Neural and Evolutionary Computing · Computer Science 2016-08-01 Randal S. Olson , Jason H. Moore

In recent years, a wide variety of automated machine learning (AutoML) methods have been proposed to search and generate end-to-end learning pipelines. While these techniques facilitate the creation of models for real-world applications,…

Human-Computer Interaction · Computer Science 2020-09-07 Jorge Piazentin Ono , Sonia Castelo , Roque Lopez , Enrico Bertini , Juliana Freire , Claudio Silva
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