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The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a…

Machine Learning · Statistics 2023-08-02 David Holzmüller , Viktor Zaverkin , Johannes Kästner , Ingo Steinwart

Active learning aims to select samples to be annotated that yield the largest performance improvement for the learning algorithm. Many methods approach this problem by measuring the informativeness of samples and do this based on the…

Machine Learning · Computer Science 2021-08-02 Javad Zolfaghari Bengar , Bogdan Raducanu , Joost van de Weijer

Neural-network-based machine learning interatomic potentials have emerged as powerful tools for predicting atomic energies and forces, enabling accurate and efficient simulations in atomistic modeling. A key limitation of traditional deep…

Chemical Physics · Physics 2025-09-24 Riccardo Farris , Emanuele Telari , Nongnuch Artrith , Konstantin Neyman , Albert Bruix

Active learning optimizes the exploration of large parameter spaces by strategically selecting which experiments or simulations to conduct, thus reducing resource consumption and potentially accelerating scientific discovery. A key…

Machine Learning · Computer Science 2024-05-20 Maxim Ziatdinov

Recent advances in machine learning have led to increased deployment of black-box classifiers across a wide variety of applications. In many such situations there is a critical need to both reliably assess the performance of these…

Machine Learning · Statistics 2021-03-16 Disi Ji , Robert L. Logan , Padhraic Smyth , Mark Steyvers

The use of ensembles of neural networks (NNs) for the quantification of predictive uncertainty is widespread. However, the current justification is intuitive rather than analytical. This work proposes one minor modification to the normal…

Machine Learning · Statistics 2018-07-03 Tim Pearce , Nicolas Anastassacos , Mohamed Zaki , Andy Neely

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

Continual learning aims to learn new tasks without forgetting previously learned ones. This is especially challenging when one cannot access data from previous tasks and when the model has a fixed capacity. Current regularization-based…

Machine Learning · Computer Science 2020-02-21 Sayna Ebrahimi , Mohamed Elhoseiny , Trevor Darrell , Marcus Rohrbach

The inability of artificial neural networks to assess the uncertainty of their predictions is an impediment to their widespread use. We distinguish two types of learnable uncertainty: model uncertainty due to a lack of training data and…

Machine Learning · Computer Science 2022-06-14 Hans Weytjens , Jochen De Weerdt

This note explores probabilistic sampling weighted by uncertainty in active learning. This method has been previously used and authors have tangentially remarked on its efficacy. The scheme has several benefits: (1) it is computationally…

Machine Learning · Computer Science 2019-09-12 Vinay Jethava

Efficiently tackling multiple tasks within complex environment, such as those found in robot manipulation, remains an ongoing challenge in robotics and an opportunity for data-driven solutions, such as reinforcement learning (RL).…

Robotics · Computer Science 2024-04-03 Carlos Plou , Ana C. Murillo , Ruben Martinez-Cantin

The key distinguishing property of a Bayesian approach is marginalization instead of optimization, not the prior, or Bayes rule. Bayesian inference is especially compelling for deep neural networks. (1) Neural networks are typically…

Machine Learning · Computer Science 2020-01-30 Andrew Gordon Wilson

We investigate different strategies for active learning with Bayesian deep neural networks. We focus our analysis on scenarios where new, unlabeled data is obtained episodically, such as commonly encountered in mobile robotics applications.…

Computer Vision and Pattern Recognition · Computer Science 2017-03-23 Feras Dayoub , Niko Sünderhauf , Peter Corke

While active learning offers potential cost savings, the actual data efficiency---the reduction in amount of labeled data needed to obtain the same error rate---observed in practice is mixed. This paper poses a basic question: when is…

Machine Learning · Computer Science 2018-06-19 Stephen Mussmann , Percy Liang

Real-world data contains aleatoric uncertainty - irreducible noise arising from imperfect measurements or from incomplete knowledge about the data generation process. Mean-variance estimation networks can learn this type of uncertainty but…

Machine Learning · Computer Science 2026-05-29 Jiaxiang Yi , Miguel A. Bessa

Distance metric learning is an important component for many tasks, such as statistical classification and content-based image retrieval. Existing approaches for learning distance metrics from pairwise constraints typically suffer from two…

Machine Learning · Computer Science 2012-06-26 Liu Yang , Rong Jin , Rahul Sukthankar

During recent years, active learning has evolved into a popular paradigm for utilizing user's feedback to improve accuracy of learning algorithms. Active learning works by selecting the most informative sample among unlabeled data and…

Machine Learning · Computer Science 2016-11-17 Alireza Ghasemi , Hamid R. Rabiee , Mohsen Fadaee , Mohammad T. Manzuri , Mohammad H. Rohban

The key distinguishing property of a Bayesian approach is marginalization, rather than using a single setting of weights. Bayesian marginalization can particularly improve the accuracy and calibration of modern deep neural networks, which…

Machine Learning · Computer Science 2022-03-31 Andrew Gordon Wilson , Pavel Izmailov

It is common practice to combine deep neural networks into ensembles. These deep ensembles can benefit from the cancellation of errors effect: Errors by ensemble members may average out, leading to better generalization performance than…

Machine Learning · Computer Science 2025-01-07 Nick Hauptvogel , Christian Igel

Graph contrastive learning has shown great promise when labeled data is scarce, but large unlabeled datasets are available. However, it often does not take uncertainty estimation into account. We show that a variational Bayesian neural…

Machine Learning · Computer Science 2023-12-04 Alexander Möllers , Alexander Immer , Elvin Isufi , Vincent Fortuin