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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

We present a unified probabilistic gradient boosting framework for regression tasks that models and predicts the entire conditional distribution of a univariate response variable as a function of covariates. Our likelihood-based approach…

Machine Learning · Statistics 2022-04-05 Alexander März , Thomas Kneib

Transformer-based neural networks, empowered by Self-Supervised Learning (SSL), have demonstrated unprecedented performance across various domains. However, related literature suggests that tabular Transformers may struggle to outperform…

A novel gradient boosting framework is proposed where shallow neural networks are employed as ``weak learners''. General loss functions are considered under this unified framework with specific examples presented for classification,…

Machine Learning · Computer Science 2020-06-16 Sarkhan Badirli , Xuanqing Liu , Zhengming Xing , Avradeep Bhowmik , Khoa Doan , Sathiya S. Keerthi

While Model Predictive Control (MPC) delivers strong performance across robotics applications, solving the underlying (batches of) nonlinear trajectory optimization (TO) problems online remains computationally demanding. Existing…

Robotics · Computer Science 2026-05-11 Alexander Du , Emre Adabag , Gabriel Bravo-Palacios , Brian Plancher

We aim to study the modeling limitations of the commonly employed boosted decision trees classifier. Inspired by the success of large, data-hungry visual recognition models (e.g. deep convolutional neural networks), this paper focuses on…

Computer Vision and Pattern Recognition · Computer Science 2017-01-09 Eshed Ohn-Bar , Mohan M. Trivedi

We propose a soft gradient boosting framework for sequential regression that embeds a learnable linear feature transform within the boosting procedure. At each boosting iteration, we train a soft decision tree and learn a linear input…

Machine Learning · Computer Science 2025-09-17 Huseyin Karaca , Suleyman Serdar Kozat

Gradient Boosting Machines (GBM) are among the go-to algorithms on tabular data, which produce state of the art results in many prediction tasks. Despite its popularity, the GBM framework suffers from a fundamental flaw in its base…

Machine Learning · Computer Science 2021-09-14 Afek Ilay Adler , Amichai Painsky

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

Tabular datasets play a crucial role in various applications. Thus, developing efficient, effective, and widely compatible prediction algorithms for tabular data is important. Currently, two prominent model types, Gradient Boosted Decision…

Machine Learning · Computer Science 2024-07-16 Jiahuan Yan , Jintai Chen , Qianxing Wang , Danny Z. Chen , Jian Wu

Boosting Trees are one of the most successful statistical learning approaches that involve sequentially growing an ensemble of simple regression trees (i.e., "weak learners"). However, gradient boosted trees are not yet available for…

We present a novel application of the machine learning / artificial intelligence method called boosted decision trees to estimate physical quantities on field programmable gate arrays (FPGA). The software package fwXmachina features a new…

High Energy Physics - Experiment · Physics 2023-04-12 Benjamin Carlson , Quincy Bayer , Tae Min Hong , Stephen Roche

The property and casualty (P&C) insurance industry faces challenges in developing claim predictive models due to the highly right-skewed distribution of positive claims with excess zeros. To address this, actuarial science researchers have…

Machine Learning · Computer Science 2024-06-19 Banghee So

Tabular data stands out as one of the most frequently encountered types in high energy physics. Unlike commonly homogeneous data such as pixelated images, simulating high-dimensional tabular data and accurately capturing their correlations…

Instrumentation and Detectors · Physics 2024-04-30 Cheng Jiang , Sitian Qian , Huilin Qu

Automatic machine learning performs predictive modeling with high performing machine learning tools without human interference. This is achieved by making machine learning applications parameter-free, i.e. only a dataset is provided while…

Machine Learning · Statistics 2018-07-16 Janek Thomas , Stefan Coors , Bernd Bischl

In supervised learning, decision trees are valued for their interpretability and performance. While greedy decision tree algorithms like CART remain widely used due to their computational efficiency, they often produce sub-optimal solutions…

Machine Learning · Computer Science 2025-06-03 Hector Kohler , Riad Akrour , Philippe Preux

This paper presents a computationally efficient variant of gradient boosting for multi-class classification and multi-output regression tasks. Standard gradient boosting uses a 1-vs-all strategy for classifications tasks with more than two…

Machine Learning · Computer Science 2024-07-25 Seyedsaman Emami , Gonzalo Martínez-Muñoz

Credit scoring plays a vital role in the field of consumer finance. Survival analysis provides an advanced solution to the credit-scoring problem by quantifying the probability of survival time. In order to deal with highly heterogeneous…

Machine Learning · Computer Science 2021-08-06 Miaojun Bai , Yan Zheng , Yun Shen

Boosting algorithms are frequently used in applied data science and in research. To date, the distinction between boosting with either gradient descent or second-order Newton updates is often not made in both applied and methodological…

Machine Learning · Statistics 2020-10-21 Fabio Sigrist

Gradient-boosted decision trees (GBDT) are widely used and highly effective machine learning approach for tabular data modeling. However, their complex structure may lead to low robustness against small covariate perturbation in unseen…

Machine Learning · Statistics 2023-05-12 Shijie Cui , Agus Sudjianto , Aijun Zhang , Runze Li