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Active learning, an iterative process of selecting the most informative data points for exploration, is crucial for efficient characterization of materials and chemicals property space. Neural networks excel at predicting these properties…

Disordered Systems and Neural Networks · Physics 2025-06-02 Sarah I. Allec , Maxim Ziatdinov

We consider the Bayesian active learning and experimental design problem, where the goal is to learn the value of some unknown target variable through a sequence of informative, noisy tests. In contrast to prior work, we focus on the…

Machine Learning · Computer Science 2016-07-12 Yuxin Chen , S. Hamed Hassani , Andreas Krause

Learning functions with high-dimensional outputs is critical in many applications, such as physical simulation and engineering design. However, collecting training examples for these applications is often costly, e.g. by running numerical…

Machine Learning · Computer Science 2022-10-25 Shibo Li , Jeff M. Phillips , Xin Yu , Robert M. Kirby , Shandian Zhe

Exploration is a significant challenge in practical reinforcement learning (RL), and uncertainty-aware exploration that incorporates the quantification of epistemic and aleatory uncertainty has been recognized as an effective exploration…

Machine Learning · Computer Science 2024-01-08 Parvin Malekzadeh , Ming Hou , Konstantinos N. Plataniotis

Uncertainty sampling in active learning is heavily used in practice to reduce the annotation cost. However, there has been no wide consensus on the function to be used for uncertainty estimation in binary classification tasks and…

Machine Learning · Computer Science 2021-11-01 Anant Raj , Francis Bach

We consider a special case of bandit problems, namely batched bandits. Motivated by natural restrictions of recommender systems and e-commerce platforms, we assume that a learning agent observes responses batched in groups over a certain…

Machine Learning · Computer Science 2021-11-04 Danil Provodin , Pratik Gajane , Mykola Pechenizkiy , Maurits Kaptein

Active Learning (AL) has the potential to solve a major problem of digital pathology: the efficient acquisition of labeled data for machine learning algorithms. However, existing AL methods often struggle in realistic settings with…

Computer Vision and Pattern Recognition · Computer Science 2024-04-09 Arne Schmidt , Pablo Morales-Álvarez , Lee A. D. Cooper , Lee A. Newberg , Andinet Enquobahrie , Aggelos K. Katsaggelos , Rafael Molina

While tasks could come with varying the number of instances and classes in realistic settings, the existing meta-learning approaches for few-shot classification assume that the number of instances per task and class is fixed. Due to such…

Machine Learning · Computer Science 2022-02-15 Hae Beom Lee , Hayeon Lee , Donghyun Na , Saehoon Kim , Minseop Park , Eunho Yang , Sung Ju Hwang

The success of deep active learning hinges on the choice of an effective acquisition function, which ranks not yet labeled data points according to their expected informativeness. Many acquisition functions are (partly) based on the…

Machine Learning · Computer Science 2023-11-08 Mohamadsadegh Khosravani , Sandra Zilles

How do people actively learn to learn? That is, how and when do people choose actions that facilitate long-term learning and choosing future actions that are more informative? We explore these questions in the domain of active causal…

Artificial Intelligence · Computer Science 2022-06-22 Chentian Jiang , Christopher G. Lucas

We explore the notion of uncertainty in the context of modern abstractive summarization models, using the tools of Bayesian Deep Learning. Our approach approximates Bayesian inference by first extending state-of-the-art summarization models…

Computation and Language · Computer Science 2022-05-04 Alexios Gidiotis , Grigorios Tsoumakas

We introduce BatchGFN -- a novel approach for pool-based active learning that uses generative flow networks to sample sets of data points proportional to a batch reward. With an appropriate reward function to quantify the utility of…

Machine Learning · Computer Science 2023-06-28 Shreshth A. Malik , Salem Lahlou , Andrew Jesson , Moksh Jain , Nikolay Malkin , Tristan Deleu , Yoshua Bengio , Yarin Gal

Predicting bioactivity and physical properties of small molecules is a central challenge in drug discovery. Deep learning is becoming the method of choice but studies to date focus on mean accuracy as the main metric. However, to replace…

Machine Learning · Computer Science 2019-07-26 Yao Zhang , Alpha A. Lee

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

Bayesian active learning relies on the precise quantification of predictive uncertainty to explore unknown function landscapes. While Gaussian process surrogates are the standard for such tasks, an underappreciated fact is that their…

Machine Learning · Computer Science 2026-02-03 Sanna Jarl , Maria Bånkestad , Jonathan J. S. Scragg , Jens Sjölund

We study pool-based active learning with abstention feedbacks, where a labeler can abstain from labeling a queried example with some unknown abstention rate. This is an important problem with many useful applications. We take a Bayesian…

Machine Learning · Statistics 2021-01-05 Cuong V. Nguyen , Lam Si Tung Ho , Huan Xu , Vu Dinh , Binh Nguyen

Bayesian optimization with Gaussian processes has become an increasingly popular tool in the machine learning community. It is efficient and can be used when very little is known about the objective function, making it popular in expensive…

Machine Learning · Computer Science 2011-03-08 Eric Brochu , Matthew W. Hoffman , Nando de Freitas

Quantifying the uncertainty of supervised learning models plays an important role in making more reliable predictions. Epistemic uncertainty, which usually is due to insufficient knowledge about the model, can be reduced by collecting more…

Machine Learning · Computer Science 2022-01-27 Xinlei Zhou , Han Liu , Farhad Pourpanah , Tieyong Zeng , Xizhao Wang

Ensembles of neural networks (NNs) have long been used to estimate predictive uncertainty; a small number of NNs are trained from different initialisations and sometimes on differing versions of the dataset. The variance of the ensemble's…

Machine Learning · Computer Science 2018-11-30 Tim Pearce , Mohamed Zaki , Andy Neely

Active learning is an effective technique for reducing the labeling cost by improving data efficiency. In this work, we propose a novel batch acquisition strategy for active learning in the setting where the model training is performed in a…

Machine Learning · Computer Science 2020-10-20 Zalán Borsos , Marco Tagliasacchi , Andreas Krause
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