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Related papers: Accurate ADMET Prediction with XGBoost

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Tree ensembles such as XGBoost are often preferred for discriminative tasks in mixed-type tabular data, due to their inductive biases, minimal hyperparameter tuning, and training efficiency. We argue that these qualities, when leveraged…

Machine Learning · Computer Science 2026-03-10 Jim Achterberg , Marcel Haas , Bram van Dijk , Marco Spruit

Gradient boosting for decision tree algorithms are increasingly used in actuarial applications as they show superior predictive performance over traditional generalised linear models. Many enhancements to the first gradient boosting machine…

Machine Learning · Statistics 2025-08-05 Dominik Chevalier , Marie-Pier Côté

Accurate prediction of crop yield before harvest is of great importance for crop logistics, market planning, and food distribution around the world. Yield prediction requires monitoring of phenological and climatic characteristics over…

Machine Learning · Computer Science 2023-02-08 Florian Huber , Artem Yushchenko , Benedikt Stratmann , Volker Steinhage

School dropout is a serious problem in distance learning, where early detection is crucial for effective intervention and student perseverance. Predicting student dropout using available educational data is a widely researched topic in…

Artificial Intelligence · Computer Science 2025-07-15 Meriem Zerkouk , Miloud Mihoubi , Belkacem Chikhaoui

Combining the merits of both denoising diffusion probabilistic models and gradient boosting, the diffusion boosting paradigm is introduced for tackling supervised learning problems. We develop Diffusion Boosted Trees (DBT), which can be…

Machine Learning · Statistics 2024-06-05 Xizewen Han , Mingyuan Zhou

Background: People's health depends on the use of proper diet as an important factor. Today, with the increasing mechanization of people's lives, proper eating habits and behaviors are neglected. On the other hand, food recommendations in…

Information Retrieval · Computer Science 2023-06-30 Abolfazl Ajami , Babak Teimourpour

Breast cancer has rapidly increased in prevalence in recent years, making it one of the leading causes of mortality worldwide. Among all cancers, it is by far the most common. Diagnosing this illness manually requires significant time and…

We aimed to evaluate computer-aided diagnosis (CADx) system for lung nodule classification focusing on (i) usefulness of gradient tree boosting (XGBoost) and (ii) effectiveness of parameter optimization using Bayesian optimization (Tree…

Computer Vision and Pattern Recognition · Computer Science 2020-06-02 Mizuho Nishio , Mitsuo Nishizawa , Osamu Sugiyama , Ryosuke Kojima , Masahiro Yakami , Tomohiro Kuroda , Kaori Togashi

In the pharmaceutical industry, where it is common to generate many QSAR models with large numbers of molecules and descriptors, the best QSAR methods are those that can generate the most accurate predictions but that are also insensitive…

Biomolecules · Quantitative Biology 2021-05-19 Robert P. Sheridan , Andy Liaw , Matthew Tudor

While Post-Earnings-Announcement Drift (PEAD) is one of the most studied stock market anomalies, the current literature is often limited in explaining this phenomenon by a small number of factors using simpler regression methods. In this…

Statistical Finance · Quantitative Finance 2020-09-08 Zhengxin Joseph Ye , Bjorn W. Schuller

Sepsis, a critical condition from the body's response to infection, poses a major global health crisis affecting all age groups. Timely detection and intervention are crucial for reducing healthcare expenses and improving patient outcomes.…

Machine Learning · Computer Science 2024-07-12 MohammadAmin Ansari Khoushabar , Parviz Ghafariasl

Despite the rise to dominance of deep learning in unstructured data domains, tree-based methods such as Random Forests (RF) and Gradient Boosted Decision Trees (GBDT) are still the workhorses for handling discriminative tasks on tabular…

Machine Learning · Computer Science 2025-04-21 João Bravo

In drug discovery, predicting the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of small-molecule drugs is critical for ensuring safety and efficacy. However, the process of accurately predicting these…

Machine Learning · Computer Science 2026-03-27 Bohao Xu , Yingzhou Lu , Chenhao Li , Ling Yue , Xiao Wang , Tianfan Fu , Minjie Shen , Lulu Chen

With the insight of variance-bias decomposition, we design a new hybrid bagging-boosting algorithm named SBPMT for classification problems. For the boosting part of SBPMT, we propose a new tree model called Probit Model Tree (PMT) as base…

Machine Learning · Statistics 2023-11-07 Tian Qin , Wei-Min Huang

Machine Learning and Artificial Intelligence can be widely used to diagnose chronic diseases so that necessary precautionary treatment can be done in critical time. Diabetes Mellitus which is one of the major diseases can be easily…

Machine Learning · Computer Science 2021-11-22 V. Vakil , S. Pachchigar , C. Chavda , S. Soni

Traditional gradient boosting algorithms employ static tree structures with fixed splitting criteria that remain unchanged throughout training, limiting their ability to adapt to evolving gradient distributions and problem-specific…

Machine Learning · Computer Science 2025-11-18 Boris Kriuk

Boosted decision trees are a very powerful machine learning technique. After introducing specific concepts of machine learning in the high-energy physics context and describing ways to quantify the performance and training quality of…

Data Analysis, Statistics and Probability · Physics 2022-06-22 Yann Coadou

Boosted decision trees enjoy popularity in a variety of applications; however, for large-scale datasets, the cost of training a decision tree in each round can be prohibitively expensive. Inspired by ideas from the multi-arm bandit…

Machine Learning · Computer Science 2018-05-22 Maryam Aziz , Jesse Anderton , Javed Aslam

Additive Manufacturing (AM) processes present challenges in monitoring and controlling material properties and process parameters, affecting production quality and defect detection. Machine Learning (ML) techniques offer a promising…

Mesoscale and Nanoscale Physics · Physics 2026-05-15 Mohsen Asghari Ilani , Yaser Mike Banad

Corporate insiders have control of material non-public preferential information (MNPI). Occasionally, the insiders strategically bypass legal and regulatory safeguards to exploit MNPI in their execution of securities trading. Due to a large…

Computational Finance · Quantitative Finance 2025-11-12 Krishna Neupane , Igor Griva