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Our open-source Python package BoFire combines Bayesian Optimization (BO) with other design of experiments (DoE) strategies focusing on developing and optimizing new chemistry. Previous BO implementations, for example as they exist in the…

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

Biological regulatory networks can be represented by computational models, which allow the study and analysis of biological behaviours, therefore providing a better understanding of a given biological process. However, as new information is…

Computational Engineering, Finance, and Science · Computer Science 2026-05-20 Pedro T. Monteiro , Filipe Gouveia

Data preprocessing is often paid little attention in machine learning, despite its potentially significant impact on model performance. While automated machine learning pipelines are starting to recognize and integrate data preprocessing…

Machine Learning · Computer Science 2026-05-27 Yousef Koka , David Selby , Gerrit Großmann , Kathan Pandya , Sebastian Vollmer

Survival trees are popular alternatives to Cox or Aalen regression models that offer both modelling flexibility and graphical interpretability. This paper introduces a new algorithm for survival trees that relaxes the assumption of…

Methodology · Statistics 2025-07-29 Pauline Baur , Markus Pauly , Takeshi Emura

Survival analysis is central to clinical research, informing patient prognoses, guiding treatment decisions, and optimising resource allocation. Accurate time-to-event predictions not only improve quality of life but also reveal risk…

A Bayesian non-parametric framework for studying time-to-event data is proposed, where the prior distribution is allowed to depend on an additional random source, and may update with the sample size. Such scenarios are natural, for…

Methodology · Statistics 2025-05-06 Martin Bladt , Jorge González Cázares

We propose an empirically stable and asymptotically efficient covariate-balancing approach to the problem of estimating survival causal effects in data with conditionally-independent censoring. This addresses a challenge often encountered…

Due to their flexibility and superior performance, machine learning models frequently complement and outperform traditional statistical survival models. However, their widespread adoption is hindered by a lack of user-friendly tools to…

Survival regression is used to estimate the relation between time-to-event and feature variables, and is important in application domains such as medicine, marketing, risk management and sales management. Nonlinear tree based machine…

Machine Learning · Computer Science 2021-08-24 Avinash Barnwal , Hyunsu Cho , Toby Dylan Hocking

This is the manual for the version 2 of HackAnalysis, a powerful, lightweight, versatile and, most importantly, hackable, recasting tool. New features in this version include: compressed event format storage for ultra-fast development;…

High Energy Physics - Phenomenology · Physics 2024-06-17 Mark D. Goodsell

Machine learning has enabled differential cross section measurements that are not discretized. Going beyond the traditional histogram-based paradigm, these unbinned unfolding methods are rapidly being integrated into experimental workflows.…

High Energy Physics - Phenomenology · Physics 2025-05-28 Ryan Milton , Vinicius Mikuni , Trevin Lee , Miguel Arratia , Tanvi Wamorkar , Benjamin Nachman

Tree boosting is a highly effective and widely used machine learning method. In this paper, we describe a scalable end-to-end tree boosting system called XGBoost, which is used widely by data scientists to achieve state-of-the-art results…

Machine Learning · Computer Science 2016-06-14 Tianqi Chen , Carlos Guestrin

Gradient boosting algorithms construct a regression predictor using a linear combination of ``base learners''. Boosting also offers an approach to obtaining robust non-parametric regression estimators that are scalable to applications with…

Methodology · Statistics 2020-08-11 Xiaomeng Ju , Matías Salibián-Barrera

Survival regression aims to predict the time when an event of interest will take place, typically a death or a failure. A fully parametric method [18] is proposed to estimate the survival function as a mixture of individual parametric…

Machine Learning · Computer Science 2024-04-25 Qinxin Wang , Jiayuan Huang , Junhui Li , Jiaming Liu

Machine learning tools are commonly used in modern high energy physics (HEP) experiments. Different models, such as boosted decision trees (BDT) and artificial neural networks (ANN), are widely used in analyses and even in the software…

Data Analysis, Statistics and Probability · Physics 2016-12-21 A. Rogozhnikov

PyOD is an open-source Python toolbox for performing scalable outlier detection on multivariate data. Uniquely, it provides access to a wide range of outlier detection algorithms, including established outlier ensembles and more recent…

Machine Learning · Computer Science 2019-06-12 Yue Zhao , Zain Nasrullah , Zheng Li

Automated data-driven modeling, the process of directly discovering the governing equations of a system from data, is increasingly being used across the scientific community. PySINDy is a Python package that provides tools for applying the…

Survival analysis is an important research topic with applications in healthcare, business, and manufacturing. One essential tool in this area is the Cox proportional hazards (CPH) model, which is widely used for its interpretability,…

Machine Learning · Computer Science 2024-10-28 Jiachang Liu , Rui Zhang , Cynthia Rudin

SocialED is a comprehensive, open-source Python library designed to support social event detection (SED) tasks, integrating 19 detection algorithms and 14 diverse datasets. It provides a unified API with detailed documentation, offering…

Machine Learning · Computer Science 2024-12-19 Kun Zhang , Xiaoyan Yu , Pu Li , Hao Peng , Philip S. Yu