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Bayesian Optimization is a popular tool for tuning algorithms in automatic machine learning (AutoML) systems. Current state-of-the-art methods leverage Random Forests or Gaussian processes to build a surrogate model that predicts algorithm…

Machine Learning · Computer Science 2021-01-08 Jeroen van Hoof , Joaquin Vanschoren

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

Heterogeneous treatment effects (HTE) based on patients' genetic or clinical factors are of significant interest to precision medicine. Simultaneously modeling HTE and corresponding main effects for randomized clinical trials with…

Machine Learning · Statistics 2023-02-06 Heng Chen , Michael L. LeBlanc , James Y. Dai

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

We consider optimal regimes for algorithm-assisted human decision-making. Such regimes are decision functions of measured pre-treatment variables and, by leveraging natural treatment values, enjoy a "superoptimality" property whereby they…

Methodology · Statistics 2024-02-23 Mats J. Stensrud , Julien Laurendeau , Aaron L. Sarvet

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

As more and more artificial intelligence (AI) technologies move from the laboratory to real-world applications, the open-set and robustness challenges brought by data from the real world have received increasing attention. Data augmentation…

Machine Learning · Computer Science 2022-12-09 Zhendong Liu , Wenyu Jiang , Min guo , Chongjun Wang

Linear mixed models are widely used for clustered data, but their reliance on parametric forms limits flexibility in complex and high-dimensional settings. In contrast, gradient boosting methods achieve high predictive accuracy through…

Machine Learning · Statistics 2025-11-04 Mitchell L. Prevett , Francis K. C. Hui , Zhi Yang Tho , A. H. Welsh , Anton H. Westveld

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

Individualized treatment rules (ITR) can improve health outcomes by recognizing that patients may respond differently to treatment and assigning therapy with the most desirable predicted outcome for each individual. Flexible and efficient…

Methodology · Statistics 2017-09-25 Brent R. Logan , Rodney Sparapani , Robert E. McCulloch , Purushottam W. Laud

We consider the task of enforcing individual fairness in gradient boosting. Gradient boosting is a popular method for machine learning from tabular data, which arise often in applications where algorithmic fairness is a concern. At a high…

Machine Learning · Computer Science 2021-04-01 Alexander Vargo , Fan Zhang , Mikhail Yurochkin , Yuekai Sun

Multistate process data are common in studies of chronic diseases such as cancer. These data are ideal for precision medicine purposes as they can be leveraged to improve more refined health outcomes, compared to standard survival outcomes,…

Methodology · Statistics 2022-11-28 Giorgos Bakoyannis

Supervised machine learning algorithms have seen spectacular advances and surpassed human level performance in a wide range of specific applications. However, using complex ensemble or deep learning algorithms typically results in black box…

Machine Learning · Computer Science 2021-01-06 Felix Wick , Ulrich Kerzel , Michael Feindt

Gradient boosted trees are competition-winning, general-purpose, non-parametric regressors, which exploit sequential model fitting and gradient descent to minimize a specific loss function. The most popular implementations are tailored to…

Machine Learning · Computer Science 2022-08-23 Lorenzo Nespoli , Vasco Medici

Boosting is a method for finding a highly accurate hypothesis by linearly combining many ``weak" hypotheses, each of which may be only moderately accurate. Thus, boosting is a method for learning an ensemble of classifiers. While boosting…

Machine Learning · Computer Science 2021-07-30 Sai Saketh Rambhatla , Michael Jones , Rama Chellappa

Because different patients may response quite differently to the same drug or treatment, there is increasing interest in discovering individualized treatment rule. In particular, people are eager to find the optimal individualized treatment…

Methodology · Statistics 2016-04-14 Wei Xiao , Hao Helen Zhang , Wenbin Lu

The calibration and training of a neural network is a complex and time-consuming procedure that requires significant computational resources to achieve satisfactory results. Key obstacles are a large number of hyperparameters to select and…

Machine Learning · Computer Science 2023-09-07 Raffaele Giuseppe Cestari , Gabriele Maroni , Loris Cannelli , Dario Piga , Simone Formentin

Neural networks have proved to be very robust at processing unstructured data like images, text, videos, and audio. However, it has been observed that their performance is not up to the mark in tabular data; hence tree-based models are…

Machine Learning · Computer Science 2022-04-25 Tushar Sarkar

Additive models, such as produced by gradient boosting, and full interaction models, such as classification and regression trees (CART), are widely used algorithms that have been investigated largely in isolation. We show that these models…

Distributionally Robust Optimization (DRO) has been shown to provide a flexible framework for decision making under uncertainty and statistical estimation. For example, recent works in DRO have shown that popular statistical estimators can…

Machine Learning · Statistics 2020-04-21 Jose Blanchet , Yang Kang , Fan Zhang , Zhangyi Hu