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Hyperparameter optimization is very frequently employed in machine learning. However, an optimization of a large space of parameters could result in overfitting of models. In recent studies on solubility prediction the authors collected…

Machine Learning · Computer Science 2024-11-26 Igor V. Tetko , Ruud van Deursen , Guillaume Godin

Model hubs with many pre-trained models (PTMs) have become a cornerstone of deep learning. Although built at a high cost, they remain \emph{under-exploited} -- practitioners usually pick one PTM from the provided model hub by popularity and…

Machine Learning · Computer Science 2022-07-15 Kaichao You , Yong Liu , Ziyang Zhang , Jianmin Wang , Michael I. Jordan , Mingsheng Long

Deep learning models are widely used across computer vision and other domains. When working on the model induction, selecting the right architecture for a given dataset often relies on repetitive trial-and-error procedures. This procedure…

Machine Learning · Computer Science 2026-01-06 Yen-Chia Chen , Hsing-Kuo Pao , Hanjuan Huang

Uncertainty in optimization is often represented as stochastic parameters in the optimization model. In Predict-Then-Optimize approaches, predictions of a machine learning model are used as values for such parameters, effectively…

Machine Learning · Computer Science 2025-12-03 Pieter Smet

The performance of modern reinforcement learning algorithms critically relies on tuning ever-increasing numbers of hyperparameters. Often, small changes in a hyperparameter can lead to drastic changes in performance, and different…

Machine Learning · Computer Science 2025-02-05 Jacob Adkins , Michael Bowling , Adam White

Practical model building processes are often time-consuming because many different models must be trained and validated. In this paper, we introduce a novel algorithm that can be used for computing the lower and the upper bounds of model…

Machine Learning · Statistics 2014-02-11 Yoshiki Suzuki , Kohei Ogawa , Yuki Shinmura , Ichiro Takeuchi

After a machine learning (ML)-based system is deployed, monitoring its performance is important to ensure the safety and effectiveness of the algorithm over time. When an ML algorithm interacts with its environment, the algorithm can affect…

Machine learning models are routinely integrated into process mining pipelines to carry out tasks like data transformation, noise reduction, anomaly detection, classification, and prediction. Often, the design of such models is based on…

Machine Learning · Computer Science 2024-02-21 Paolo Ceravolo , Sylvio Barbon Junior , Ernesto Damiani , Wil van der Aalst

As a result of the ever increasing complexity of configuring and fine-tuning machine learning models, the field of automated machine learning (AutoML) has emerged over the past decade. However, software implementations like Auto-WEKA and…

Machine Learning · Computer Science 2022-11-09 Dimitrios Iliadis , Marcel Wever , Bernard De Baets , Willem Waegeman

Machine learning algorithms often contain many hyperparameters (HPs) whose values affect the predictive performance of the induced models in intricate ways. Due to the high number of possibilities for these HP configurations and their…

Hyperparameter optimization (HPO) is an important step in machine learning (ML) model development, but common practices are archaic -- primarily relying on manual or grid searches. This is partly because adopting advanced HPO algorithms…

Machine Learning · Computer Science 2024-02-08 Sungduk Yu , Mike Pritchard , Po-Lun Ma , Balwinder Singh , Sam Silva

Growth in system complexity increases the need for automated log analysis techniques, such as Log-based Anomaly Detection (LAD). While deep learning (DL) methods have been widely used for LAD, traditional machine learning (ML) techniques…

Software Engineering · Computer Science 2025-06-24 Shan Ali , Chaima Boufaied , Domenico Bianculli , Paula Branco , Lionel Briand

Data pre-processing is a significant step in machine learning to improve the performance of the model and decreases the running time. This might include dealing with missing values, outliers detection and removing, data augmentation,…

Machine Learning · Computer Science 2024-09-04 Ahmed M Salih

The introduction of large language models (LLMs) has enhanced automation in software engineering tasks, including in Model Driven Engineering (MDE). However, using general-purpose LLMs for domain modeling has its limitations. One approach…

Software Engineering · Computer Science 2025-07-22 Vladyslav Bulhakov , Giordano d'Aloisio , Claudio Di Sipio , Antinisca Di Marco , Davide Di Ruscio

Algorithm selection, aiming to identify the best algorithm for a given problem, plays a pivotal role in continuous black-box optimization. A common approach involves representing optimization functions using a set of features, which are…

Machine Learning · Computer Science 2025-05-13 Gašper Petelin , Gjorgjina Cenikj

The accuracy of machine learning systems is a widely studied research topic. Established techniques such as cross-validation predict the accuracy on unseen data of the classifier produced by applying a given learning method to a given…

Machine Learning · Computer Science 2012-12-06 J. E. Smith , P. Caleb-Solly , M. A. Tahir , D. Sannen , H. van-Brussel

Decision making algorithms are used in a multitude of different applications. Conventional approaches for designing decision algorithms employ principled and simplified modelling, based on which one can determine decisions via tractable…

Signal Processing · Electrical Eng. & Systems 2022-06-23 Nir Shlezinger , Yonina C. Eldar , Stephen P. Boyd

Automatic performance tuning (auto-tuning) is widely used to optimize performance-critical applications across many scientific domains by finding the best program variant among many choices. Efficient optimization algorithms are crucial for…

Machine Learning · Computer Science 2025-10-10 Floris-Jan Willemsen , Rob V. van Nieuwpoort , Ben van Werkhoven

Recent years have seen a substantial development of quantitative methods, mostly led by the computer science community with the goal of developing better machine learning applications, mainly focused on predictive modeling. However,…

Machine Learning · Computer Science 2021-03-02 Daniel Hain , Roman Jurowetzki

This paper explores the use of foundational large language models (LLMs) in hyperparameter optimization (HPO). Hyperparameters are critical in determining the effectiveness of machine learning models, yet their optimization often relies on…

Machine Learning · Computer Science 2024-11-12 Michael R. Zhang , Nishkrit Desai , Juhan Bae , Jonathan Lorraine , Jimmy Ba