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We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during…

Machine Learning · Statistics 2017-11-22 Peter I. Frazier , Jialei Wang

It stands to reason that the amount and the quality of data is of key importance for setting up accurate AI-driven models. Among others, a fundamental aspect to consider is the bias introduced during sample selection in database generation.…

Other Condensed Matter · Physics 2025-10-01 Giovanni Trezza , Eliodoro Chiavazzo

Besides serving as prediction models, classification trees are useful for finding important predictor variables and identifying interesting subgroups in the data. These functions can be compromised by weak split selection algorithms that…

Applications · Statistics 2010-11-03 Wei-Yin Loh

Concrete is the most widely used construction material worldwide; however, reliable prediction of compressive strength remains challenging due to material heterogeneity, variable mix proportions, and sensitivity to field and environmental…

Machine Learning · Computer Science 2026-01-15 Md Asiful Islam , Md Ahmed Al Muzaddid , Afia Jahin Prema , Sreenath Reddy Vuske

While deep neural networks have become the go-to approach in computer vision, the vast majority of these models fail to properly capture the uncertainty inherent in their predictions. Estimating this predictive uncertainty can be crucial,…

Machine Learning · Computer Science 2020-04-08 Fredrik K. Gustafsson , Martin Danelljan , Thomas B. Schön

Magnetic materials have a plethora of applications ranging from informatics to energy harvesting and conversion. However, such functionalities are limited by the magnetic ordering temperature. In this work, we performed machine learning on…

Materials Science · Physics 2021-10-06 T. Long , N. M. Fortunato , Yixuan Zhang , O. Gutfleisch , H. Zhang

Dealing with uncertainty in Bayesian Network structures using maximum a posteriori (MAP) estimation or Bayesian Model Averaging (BMA) is often intractable due to the superexponential number of possible directed, acyclic graphs. When the…

Machine Learning · Computer Science 2012-06-26 Brian D. Ziebart , Anind K. Dey , J Andrew Bagnell

There is a fundamental limitation in the prediction performance that a machine learning model can achieve due to the inevitable uncertainty of the prediction target. In classification problems, this can be characterized by the Bayes error,…

Machine Learning · Computer Science 2023-03-14 Takashi Ishida , Ikko Yamane , Nontawat Charoenphakdee , Gang Niu , Masashi Sugiyama

Information theoretic active learning has been widely studied for probabilistic models. For simple regression an optimal myopic policy is easily tractable. However, for other tasks and with more complex models, such as classification with…

Machine Learning · Statistics 2011-12-30 Neil Houlsby , Ferenc Huszár , Zoubin Ghahramani , Máté Lengyel

This work presents a content-based recommender system for machine learning classifier algorithms. Given a new data set, a recommendation of what classifier is likely to perform best is made based on classifier performance over similar known…

Information Retrieval · Computer Science 2017-11-28 Marta Arias , Argimiro Arratia , Ariel Duarte-Lopez

In this paper, Bayesian based aggregation of decision trees in an ensemble (decision forest) is investigated. The focus is laid on multi-class classification with number of samples significantly skewed toward one of the classes. The…

Machine Learning · Computer Science 2021-07-27 Jan Brabec , Lukas Machlica

The experimental search for new thermoelectric materials remains largely confined to a limited set of successful chemical and structural families, such as chalcogenides, skutterudites, and Zintl phases. In principle, computational tools…

Machine learning can accelerate materials discovery. Models perform impressively on many benchmarks. However, strong benchmark performance does not imply that a model learned chemistry. I test a concrete alternative hypothesis: that…

Chemical Physics · Physics 2026-02-23 Kevin Maik Jablonka

The use of ensemble-based multi-label methods has been shown to be effective in improving multi-label classification results. One of the most widely used ensemble-based multi-label classifiers is Ensemble of Classifier Chains. Decision…

Machine Learning · Computer Science 2026-03-17 Victor F. Rocha , Alexandre L. Rodrigues , Thiago Oliveira-Santos , Flávio M. Varejão

In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to…

Machine Learning · Computer Science 2019-01-21 Chhote Lal Prasad Gupta , Anand Bihari , Sudhakar Tripathi

Recently several researchers have investigated techniques for using data to learn Bayesian networks containing compact representations for the conditional probability distributions (CPDs) stored at each node. The majority of this work has…

Machine Learning · Computer Science 2015-05-19 David Maxwell Chickering , David Heckerman , Christopher Meek

In real life, media information has time attributes either implicitly or explicitly known as temporal data. This paper investigates the usefulness of applying Bayesian classification to an interval encoded temporal database with prioritized…

Databases · Computer Science 2009-08-10 C. Balasubramanian , K. Duraiswamy

Decision tree learning is a widely used approach in machine learning, favoured in applications that require concise and interpretable models. Heuristic methods are traditionally used to quickly produce models with reasonably high accuracy.…

Predictive uncertainty quantification is crucial for reliable decision-making in various applied domains. Bayesian neural networks offer a powerful framework for this task. However, defining meaningful priors and ensuring computational…

Machine Learning · Computer Science 2024-04-30 Yijia Liu , Xiao Wang

The Bayesian Classification represents a supervised learning method as well as a statistical method for classification. Assumes an underlying probabilistic model and it allows us to capture uncertainty about the model in a principled way by…

Machine Learning · Computer Science 2014-04-04 Vikramkumar , Vijaykumar B , Trilochan
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