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Tree ensembles are very popular machine learning models, known for their effectiveness in supervised classification and regression tasks. Their performance derives from aggregating predictions of multiple decision trees, which are renowned…

Optimization and Control · Mathematics 2025-01-14 Lorenzo Bonasera , Emilio Carrizosa

The optimization of expensive-to-evaluate black-box functions over combinatorial structures is an ubiquitous task in machine learning, engineering and the natural sciences. The combinatorial explosion of the search space and costly…

Machine Learning · Statistics 2018-10-11 Ricardo Baptista , Matthias Poloczek

State-of-the-art clustering algorithms use heuristics to partition the feature space and provide little insight into the rationale for cluster membership, limiting their interpretability. In healthcare applications, the latter poses a…

Machine Learning · Statistics 2018-12-04 Dimitris Bertsimas , Agni Orfanoudaki , Holly Wiberg

Optimization of high-dimensional black-box functions is an extremely challenging problem. While Bayesian optimization has emerged as a popular approach for optimizing black-box functions, its applicability has been limited to…

Machine Learning · Statistics 2018-08-06 Zi Wang , Chengtao Li , Stefanie Jegelka , Pushmeet Kohli

The key to Black-Box Optimization is to efficiently search through input regions with potentially widely-varying numerical properties, to achieve low-regret descent and fast progress toward the optima. Monte Carlo Tree Search (MCTS) methods…

Machine Learning · Computer Science 2022-11-03 Yaoguang Zhai , Sicun Gao

Tree ensembles are widely recognized for their effectiveness in classification tasks, achieving state-of-the-art performance across diverse domains, including bioinformatics, finance, and medical diagnosis. With increasing emphasis on data…

Machine Learning · Computer Science 2025-09-01 Ziheng Chen , Jin Huang , Jiali Cheng , Yuchan Guo , Mengjie Wang , Lalitesh Morishetti , Kaushiki Nag , Hadi Amiri

Finding optimal parameter configurations for tunable GPU kernels is a non-trivial exercise for large search spaces, even when automated. This poses an optimization task on a non-convex search space, using an expensive to evaluate function…

Machine Learning · Computer Science 2021-12-01 Floris-Jan Willemsen , Rob van Nieuwpoort , Ben van Werkhoven

Tree based ensembles such as Breiman's random forest (RF) and Gradient Boosted Trees (GBT) can be interpreted as implicit kernel generators, where the ensuing proximity matrix represents the data-driven tree ensemble kernel. Kernel…

Machine Learning · Statistics 2020-12-22 Dai Feng , Richard Baumgartner

Within the domain of medical image analysis, three distinct methodologies have demonstrated commendable accuracy: Neural Networks, Decision Trees, and Ensemble-Based Learning Algorithms, particularly in the specialized context of genstro…

Computer Vision and Pattern Recognition · Computer Science 2025-10-14 Zeshan Khan

Tree ensemble models like random forests and gradient boosting machines are widely used in machine learning due to their excellent predictive performance. However, a high-performance ensemble consisting of a large number of decision trees…

Machine Learning · Statistics 2024-10-28 Zebin Yang , Agus Sudjianto , Xiaoming Li , Aijun Zhang

Structural kernels are a flexible learning paradigm that has been widely used in Natural Language Processing. However, the problem of model selection in kernel-based methods is usually overlooked. Previous approaches mostly rely on setting…

Computation and Language · Computer Science 2015-08-11 Daniel Beck , Trevor Cohn , Christian Hardmeier , Lucia Specia

Bayesian optimization is a powerful tool for expensive stochastic black-box optimization problems such as simulation-based optimization or machine learning hyperparameter tuning. Many stochastic objective functions implicitly require a…

Machine Learning · Statistics 2019-10-22 Michael Pearce , Matthias Poloczek , Juergen Branke

Traditional machine learning approaches may fail to perform satisfactorily when dealing with complex data. In this context, the importance of data mining evolves w.r.t. building an efficient knowledge discovery and mining framework.…

Computer Vision and Pattern Recognition · Computer Science 2020-08-04 Abdul Mueed Hafiz , Ghulam Mohiuddin Bhat

Optimising black-box functions is important in many disciplines, such as tuning machine learning models, robotics, finance and mining exploration. Bayesian optimisation is a state-of-the-art technique for the global optimisation of…

Machine Learning · Computer Science 2015-03-05 John-Alexander M. Assael , Ziyu Wang , Bobak Shahriari , Nando de Freitas

Bayesian optimisation has proven to be a powerful tool for expensive global black-box optimisation problems. In this paper, we propose new Bayesian optimisation variants of the popular Knowledge Gradient acquisition functions for problems…

Machine Learning · Computer Science 2025-12-22 Xietao Wang Lin , Juan Ungredda , Max Butler , James Town , Alma Rahat , Hemant Singh , Juergen Branke

Bayesian Optimization (BO) has become a core method for solving expensive black-box optimization problems. While much research focussed on the choice of the acquisition function, we focus on online length-scale adaption and the choice of…

Machine Learning · Computer Science 2016-12-12 Kim Peter Wabersich , Marc Toussaint

While balancing covariates between groups is central for observational causal inference, selecting which features to balance remains a challenging problem. Kernel balancing is a promising approach that first estimates a kernel that captures…

Methodology · Statistics 2025-12-15 Andy A. Shen , Eli Ben-Michael , Avi Feller , Luke Keele , Jared Murray

Black-box problems are common in real life like structural design, drug experiments, and machine learning. When optimizing black-box systems, decision-makers always consider multiple performances and give the final decision by comprehensive…

Machine Learning · Computer Science 2021-01-22 Wenjie Chen , Shengcai Liu , Ke Tang

Bayesian optimization (BO) is a sample-efficient global optimization algorithm for black-box functions which are expensive to evaluate. Existing literature on model based optimization in conditional parameter spaces are usually built on…

Machine Learning · Statistics 2020-10-08 Xingchen Ma , Matthew B. Blaschko

Ensembles improve prediction performance and allow uncertainty quantification by aggregating predictions from multiple models. In deep ensembling, the individual models are usually black box neural networks, or recently, partially…

Machine Learning · Statistics 2022-05-26 Lucas Kook , Andrea Götschi , Philipp FM Baumann , Torsten Hothorn , Beate Sick