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This paper applies the Bayesian Model Averaging (BMA) statistical ensemble technique to estimate small molecule solvation free energies. There is a wide range of methods available for predicting solvation free energies, ranging from…

Biomolecules · Quantitative Biology 2016-12-16 Luke J. Gosink , Christopher C. Overall , Sarah M. Reehl , Paul D. Whitney , David L. Mobley , Nathan A. Baker

Support vector machine (SVM) is a well-known statistical technique for classification problems in machine learning and other fields. An important question for SVM is the selection of covariates (or features) for the model. Many studies have…

Methodology · Statistics 2022-02-22 Jiahui Zou , Chaoxia Yuan , Xinyu Zhang , Guohua Zou , Alan T. K. Wan

A new maximum approximate likelihood (ML) estimation algorithm for the mixture of Kent distribution is proposed. The new algorithm is constructed via the BSLM (block successive lower-bound maximization) framework and incorporates manifold…

Computation · Statistics 2017-09-15 Hien D. Nguyen

We assess the accuracy of Bayesian polynomial extrapolations from small parameter values, x, to large values of x. We consider a set of polynomials of fixed order, intended as a proxy for a fixed-order effective field theory (EFT)…

Methodology · Statistics 2022-06-17 M. A. Connell , I. Billig , D. R. Phillips

Mixture model-based clustering has become an increasingly popular data analysis technique since its introduction over fifty years ago, and is now commonly utilized within a family setting. Families of mixture models arise when the component…

Methodology · Statistics 2019-11-11 Sanjeena Subedi , Paul D. McNicholas

Regression models are used for inference and prediction in a wide range of applications providing a powerful scientific tool for researchers and analysts from different fields. In many research fields the amount of available data as well as…

Methodology · Statistics 2018-06-08 Aliaksandr Hubin , Geir Storvik , Florian Frommlet

Bayesian Causal Forests (BCF) is a causal inference machine learning model based on a highly flexible non-parametric regression and classification tool called Bayesian Additive Regression Trees (BART). Motivated by data from the Trends in…

Machine Learning · Statistics 2023-03-10 Nathan McJames , Andrew Parnell , Yong Chen Goh , Ann O'Shea

Motivated by the remarkable success of Bayesian additive regression trees (BART) in regression modelling, we propose a novel nonparametric Bayesian method, termed Functional BART (FBART), tailored specifically for function-on-scalar…

Methodology · Statistics 2025-06-03 Jiahao Cao , Shiyuan He , Bohai Zhang

Statistical modeling is a key component in the extraction of physical results from lattice field theory calculations. Although the general models used are often strongly motivated by physics, many model variations can frequently be…

Methodology · Statistics 2021-06-10 William I. Jay , Ethan T. Neil

Explainable boosting machines (EBMs) are popular "glass-box" models that learn a set of univariate functions using boosting trees. These achieve explainability through visualizations of each feature's effect. However, unlike linear model…

Machine Learning · Statistics 2026-03-31 Haimo Fang , Kevin Tan , Jonathan Pipping-Gamon , Giles Hooker

Clustered data, which arise when observations are nested within groups, are incredibly common in clinical, education, and social science research. Traditionally, a linear mixed model, which includes random effects to account for…

Methodology · Statistics 2026-02-04 Kevin McCoy , Zachary Wooten , Katarzyna Tomczak , Christine B. Peterson

Learning and understanding car-following (CF) behaviors are crucial for microscopic traffic simulation. Traditional CF models, though simple, often lack generalization capabilities, while many data-driven methods, despite their robustness,…

Applications · Statistics 2024-04-25 Chengyuan Zhang , Kehua Chen , Meixin Zhu , Hai Yang , Lijun Sun

Although it is an extremely effective, easy-to-use, and increasingly popular tool for nonparametric regression, the Bayesian Additive Regression Trees (BART) model is limited by the fact that it can only produce discontinuous output.…

Methodology · Statistics 2025-08-08 Ryan Yee , Soham Ghosh , Sameer K. Deshpande

Models for dependent data are distinguished by their targets of inference. Marginal models are useful when interest lies in quantifying associations averaged across a population of clusters. When the functional form of a covariate-outcome…

Methodology · Statistics 2022-04-18 Glen McGee , Alex Stringer

Ecological Momentary Assessment (EMA) data is organized in multiple levels (per-subject, per-day, etc.) and this particular structure should be taken into account in machine learning algorithms used in EMA like decision trees and its…

Machine Learning · Computer Science 2016-07-07 Gerasimos Spanakis , Gerhard Weiss , Anne Roefs

Few methods in Bayesian non-parametric statistics/ machine learning have received as much attention as Bayesian Additive Regression Trees (BART). While BART is now routinely performed for prediction tasks, its theoretical properties began…

Statistics Theory · Mathematics 2019-05-10 Veronika Rockova

A method for the local and global interpretation of a black-box model on the basis of the well-known generalized additive models is proposed. It can be viewed as an extension or a modification of the algorithm using the neural additive…

Machine Learning · Computer Science 2020-10-16 Andrei V. Konstantinov , Lev V. Utkin

Sample efficient learning of manipulation skills poses a major challenge in robotics. While recent approaches demonstrate impressive advances in the type of task that can be addressed and the sensing modalities that can be incorporated,…

Robotics · Computer Science 2024-10-08 Adrian Röfer , Iman Nematollahi , Tim Welschehold , Wolfram Burgard , Abhinav Valada

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…

We develop a Bayesian non-parametric quantile panel regression model. Within each quantile, the response function is a convex combination of a linear model and a non-linear function, which we approximate using Bayesian Additive Regression…

Econometrics · Economics 2021-10-08 Todd E. Clark , Florian Huber , Gary Koop , Massimiliano Marcellino , Michael Pfarrhofer