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Ensemble learning has had many successes in supervised learning, but it has been rare in unsupervised learning and dimensionality reduction. This study explores dimensionality reduction ensembles, using principal component analysis and…

Machine Learning · Statistics 2017-10-13 Colleen M. Farrelly

Learning the structure of Bayesian networks (BNs) from data is challenging, especially for datasets involving a large number of variables. The recently proposed divide-and-conquer (D\&D) strategies present a promising approach for learning…

Machine Learning · Computer Science 2025-07-01 Shengcai Liu , Hui Ou-yang , Zhiyuan Wang , Cheng Chen , Qijun Cai , Yew-Soon Ong , Ke Tang

Machine learning models, and deep neural networks in particular, are increasingly deployed in risk-sensitive domains such as healthcare, environmental forecasting, and finance, where reliable quantification of predictive uncertainty is…

Machine Learning · Computer Science 2026-04-07 Asena Karolin Özdemir , Lars H. Heyen , Arvid Weyrauch , Achim Streit , Markus Götz , Charlotte Debus

Recent observations have advanced our understanding of the neural network optimization landscape, revealing the existence of (1) paths of high accuracy containing diverse solutions and (2) wider minima offering improved performance.…

Machine Learning · Computer Science 2021-09-14 Mitchell Wortsman , Maxwell Horton , Carlos Guestrin , Ali Farhadi , Mohammad Rastegari

Ensembling is a powerful technique for improving the accuracy of machine learning models, with methods like stacking achieving strong results in tabular tasks. In time series forecasting, however, ensemble methods remain underutilized, with…

Machine Learning · Computer Science 2025-11-20 Nathanael Bosch , Oleksandr Shchur , Nick Erickson , Michael Bohlke-Schneider , Caner Türkmen

Ensembles of CNN models trained with different seeds (also known as Deep Ensembles) are known to achieve superior performance over a single copy of the CNN. Neural Ensemble Search (NES) can further boost performance by adding architectural…

Machine Learning · Computer Science 2021-07-12 Ashwin Raaghav Narayanan , Arber Zela , Tonmoy Saikia , Thomas Brox , Frank Hutter

Probabilistic predictions from neural networks which account for predictive uncertainty during classification is crucial in many real-world and high-impact decision making settings. However, in practice most datasets are trained on…

Machine Learning · Computer Science 2022-09-30 Satya Borgohain , Klaus Ackermann , Ruben Loaiza-Maya

In neural architecture search (NAS), the space of neural network architectures is automatically explored to maximize predictive accuracy for a given task. Despite the success of recent approaches, most existing methods cannot be directly…

Machine Learning · Statistics 2019-02-15 Francesco Paolo Casale , Jonathan Gordon , Nicolo Fusi

We have previously reported a Bayesian algorithm for determining the coordinates of points in three-dimensional space from uncertain constraints. This method is useful in the determination of biological molecular structure. It is limited,…

Artificial Intelligence · Computer Science 2013-02-28 Russ B. Altman , Cheng C. Chen , William B. Poland , Jaswinder Pal Singh

Neural architecture search (NAS) aims to automate architecture design processes and improve the performance of deep neural networks. Platform-aware NAS methods consider both performance and complexity and can find well-performing…

Neural and Evolutionary Computing · Computer Science 2022-07-22 Yuhei Noda , Shota Saito , Shinichi Shirakawa

Neural Architecture Search (NAS) has shown great potentials in finding better neural network designs. Sample-based NAS is the most reliable approach which aims at exploring the search space and evaluating the most promising architectures.…

Machine Learning · Computer Science 2020-11-26 Han Shi , Renjie Pi , Hang Xu , Zhenguo Li , James T. Kwok , Tong Zhang

Structure learning algorithms that learn the graph of a Bayesian network from observational data often do so by assuming the data correctly reflect the true distribution of the variables. However, this assumption does not hold in the…

Artificial Intelligence · Computer Science 2020-11-20 Yang Liu , Anthony C. Constantinou , ZhiGao Guo

Training multiple deep neural networks (DNNs) and averaging their outputs is a simple way to improve the predictive performance. Nevertheless, the multiplied training cost prevents this ensemble method to be practical and efficient. Several…

Machine Learning · Computer Science 2021-10-27 Feng Wang , Guoyizhe Wei , Qiao Liu , Jinxiang Ou , Xian Wei , Hairong Lv

Ensembles of decision trees are a useful tool for obtaining for obtaining flexible estimates of regression functions. Examples of these methods include gradient boosted decision trees, random forests, and Bayesian CART. Two potential…

Methodology · Statistics 2018-09-18 Antonio Ricardo Linero , Yun Yang

Bayesian methods have been successfully applied to sparsify weights of neural networks and to remove structure units from the networks, e. g. neurons. We apply and further develop this approach for gated recurrent architectures.…

Machine Learning · Computer Science 2018-12-17 Ekaterina Lobacheva , Nadezhda Chirkova , Dmitry Vetrov

Graph neural networks for molecular property prediction are frequently underspecified by data and fail to generalise to new scaffolds at test time. A potential solution is Bayesian learning, which can capture our uncertainty in the model…

Biomolecules · Quantitative Biology 2020-12-04 George Lamb , Brooks Paige

Neural networks are powerful tools for cognitive modeling due to their flexibility and emergent properties. However, interpreting their learned representations remains challenging due to their sub-symbolic semantics. In this work, we…

Machine Learning · Computer Science 2026-04-07 Andrew Nam , Declan Campbell , Thomas Griffiths , Jonathan Cohen , Sarah-Jane Leslie

This paper explores the problem of clustering ensemble, which aims to combine multiple base clusterings to produce better performance than that of the individual one. The existing clustering ensemble methods generally construct a…

Machine Learning · Computer Science 2020-12-17 Yuheng Jia , Hui Liu , Junhui Hou , Qingfu Zhang

Bayesian deep learning (BDL) is a promising approach to achieve well-calibrated predictions on distribution-shifted data. Nevertheless, there exists no large-scale survey that evaluates recent SOTA methods on diverse, realistic, and…

Machine Learning · Computer Science 2023-10-26 Florian Seligmann , Philipp Becker , Michael Volpp , Gerhard Neumann

Neural additive models (NAMs) enhance the transparency of deep neural networks by handling input features in separate additive sub-networks. However, they lack inherent mechanisms that provide calibrated uncertainties and enable selection…

Machine Learning · Statistics 2024-10-29 Kouroche Bouchiat , Alexander Immer , Hugo Yèche , Gunnar Rätsch , Vincent Fortuin