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The absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties are important in drug discovery as they define efficacy and safety. In this work, we applied an ensemble of features, including fingerprints and…

Biomolecules · Quantitative Biology 2022-09-20 Hao Tian , Rajas Ketkar , Peng Tao

This research aims to evaluate the performance of several Recurrent Neural Network (RNN) architectures including Simple RNN, Gated Recurrent Units (GRU), and Long Short-Term Memory (LSTM), compared to classic algorithms such as Random…

Applications · Statistics 2024-10-01 Deri Siswara , Agus M. Soleh , Aji Hamim Wigena

This research provides an in-depth evaluation of various machine learning models for energy forecasting, focusing on the unique challenges of seasonal variations in student residential settings. The study assesses the performance of…

Machine Learning · Computer Science 2025-07-01 Muhammad Umair Danish , Mathumitha Sureshkumar , Tehara Fonseka , Umeshika Uthayakumar , Vinura Galwaduge

Modern gradient boosting software frameworks, such as XGBoost and LightGBM, implement Newton descent in a functional space. At each boosting iteration, their goal is to find the base hypothesis, selected from some base hypothesis class,…

Effective IT change management is important for businesses that depend on software and services, particularly in highly regulated sectors such as finance, where operational reliability, auditability, and explainability are essential. A…

Software Engineering · Computer Science 2026-04-16 Eileen Kapel , Jan Lennartz , Luis Cruz , Diomidis Spinellis , Arie van Deursen

Selecting the right deep learning model for power grid forecasting is challenging, as performance heavily depends on the data available to the operator. This paper presents a comprehensive benchmark of five modern neural architectures: two…

Machine Learning · Computer Science 2026-03-26 Sunki Hong , Jisoo Lee

Needless to say, linear dynamics are pervasive in economic time series, particularly autoregressive ones. While gradient boosting with trees excels at capturing nonlinearities, it is inefficient in small samples when much of the predictive…

Econometrics · Economics 2026-05-12 Philippe Goulet Coulombe

Tree ensemble models such as random forests and boosted trees are among the most widely used and practically successful predictive models in applied machine learning and business analytics. Although such models have been used to make…

Optimization and Control · Mathematics 2019-10-11 Velibor V. Mišić

Accurate prediction of main engine power is essential for vessel performance optimization, fuel efficiency, and compliance with emission regulations. Conventional machine learning approaches, such as Support Vector Machines, variants of…

Machine Learning · Computer Science 2026-02-23 Orfeas Bourchas , George Papalambrou

Structured, or tabular, data is the most common format in data science. While deep learning models have proven formidable in learning from unstructured data such as images or speech, they are less accurate than simpler approaches when…

Sports data is more readily available and consequently, there has been an increase in the amount of sports analysis, predictions and rankings in the literature. Sports are unique in their respective stochastic nature, making analysis, and…

Machine Learning · Computer Science 2022-02-17 Daniel Yazbek , Jonathan Sandile Sibindi , Terence L. Van Zyl

Predicting the probability of non-performing loans for individuals has a vital and beneficial role for banks to decrease credit risk and make the right decisions before giving the loan. The trend to make these decisions are based on credit…

Machine Learning · Computer Science 2022-09-21 Rufael Fekadu , Anteneh Getachew , Yishak Tadele , Nuredin Ali , Israel Goytom

Accurately estimating the impact of road maintenance schedules on traffic conditions is important because maintenance operations can substantially worsen congestion if not carefully planned. Reliable estimates allow planners to avoid…

Machine Learning · Computer Science 2025-06-09 Robbert Bosch , Wouter van Heeswijk , Patricia Rogetzer , Martijn Mes

Battery performance datasets are typically non-normal and multicollinear. Extrapolating such datasets for model predictions needs attention to such characteristics. This study explores the impact of data normality in building machine…

Machine Learning · Computer Science 2021-11-05 Shovan Chowdhury , Yuxiao Lin , Boryann Liaw , Leslie Kerby

Accurate query runtime prediction is a critical component of effective query optimization in modern database systems. Traditional cost models, such as those used in PostgreSQL, rely on static heuristics that often fail to reflect actual…

Databases · Computer Science 2025-10-08 Utsav Pathak , Amit Mankodi

In the fast-moving consumer goods (FMCG) industry, deciding where to place physical assets, such as commercial beverage coolers, can directly impact revenue growth and execution efficiency. Although churn prediction and demand forecasting…

Machine Learning · Computer Science 2025-11-11 Renato Castro , Rodrigo Paredes , Douglas Kahn

In this paper, company investment value evaluation models are established based on comprehensive company information. After data mining and extracting a set of 436 feature parameters, an optimal subset of features is obtained by dimension…

Statistical Finance · Quantitative Finance 2020-10-06 Junfeng Hu , Xiaosa Li , Yuru Xu , Shaowu Wu , Bin Zheng

Short-term load forecasting (STLF) is vital for the effective and economic operation of power grids and energy markets. However, the non-linearity and non-stationarity of electricity demand as well as its dependency on various external…

The interpretability of models has become a crucial issue in Machine Learning because of algorithmic decisions' growing impact on real-world applications. Tree ensemble methods, such as Random Forests or XgBoost, are powerful learning tools…

Optimization and Control · Mathematics 2024-01-19 Giulia Di Teodoro , Marta Monaci , Laura Palagi

Machine learning algorithms are fundamental components of novel data-informed Artificial Intelligence architecture. In this domain, the imperative role of representative datasets is a cornerstone in shaping the trajectory of artificial…

Machine Learning · Computer Science 2024-04-16 Javier Perera-Lago , Víctor Toscano-Durán , Eduardo Paluzo-Hidalgo , Sara Narteni , Matteo Rucco