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Batched Bayesian optimization (BO) can accelerate molecular design by efficiently identifying top-performing compounds from a large chemical library. Existing acquisition strategies for batch design in BO aim to balance exploration and…

Speech classification has attracted increasing attention due to its wide applications, particularly in classifying physical and mental states. However, these tasks are challenging due to the high variability in speech signals. Ensemble…

Audio and Speech Processing · Electrical Eng. & Systems 2024-07-25 Bagus Tris Atmaja , Felix Burkhardt

We study a generalization of classical active learning to real-world settings with concrete prediction targets where sampling is restricted to an accessible region of the domain, while prediction targets may lie outside this region. We…

Machine Learning · Computer Science 2025-02-11 Jonas Hübotter , Bhavya Sukhija , Lenart Treven , Yarden As , Andreas Krause

Decomposing prediction uncertainty into aleatoric (irreducible) and epistemic (reducible) components is critical for the reliable deployment of machine learning systems. While the mutual information between the response variable and model…

Machine Learning · Statistics 2026-02-10 Anchit Jain , Stephen Bates

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

Uncertainty estimation is pivotal in machine learning, especially for classification tasks, as it improves the robustness and reliability of models. We introduce a novel `Epistemic Wrapping' methodology aimed at improving uncertainty…

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

Active learning methods for neural networks are usually based on greedy criteria which ultimately give a single new design point for the evaluation. Such an approach requires either some heuristics to sample a batch of design points at one…

Machine Learning · Computer Science 2020-01-28 Evgenii Tsymbalov , Sergei Makarychev , Alexander Shapeev , Maxim Panov

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

For many tasks of data analysis, we may only have the information of the explanatory variable and the evaluation of the response values are quite expensive. While it is impractical or too costly to obtain the responses of all units, a…

Computation · Statistics 2023-04-07 Wei Zheng , Ting Tian , Xueqin Wang

Trading off exploration and exploitation in an unknown environment is key to maximising expected return during learning. A Bayes-optimal policy, which does so optimally, conditions its actions not only on the environment state but on the…

Machine Learning · Computer Science 2020-03-02 Luisa Zintgraf , Kyriacos Shiarlis , Maximilian Igl , Sebastian Schulze , Yarin Gal , Katja Hofmann , Shimon Whiteson

The accuracy of deep neural networks is significantly influenced by the effectiveness of mini-batch construction during training. In single-label scenarios, such as binary and multi-class classification tasks, it has been demonstrated that…

Machine Learning · Computer Science 2024-12-24 Ao Zhou , Bin Liu , Jin Wang , Grigorios Tsoumakas

Domain adaptive active learning is leading the charge in label-efficient training of neural networks. For semantic segmentation, state-of-the-art models jointly use two criteria of uncertainty and diversity to select training labels,…

Computer Vision and Pattern Recognition · Computer Science 2023-11-27 Marc Schachtsiek , Simone Rossi , Thomas Hannagan

Active learning is a powerful approach to analyzing data effectively. We show that the feasibility of active learning depends crucially on the choice of measure with respect to which the query is being optimized. The standard information…

Machine Learning · Computer Science 2013-01-07 Harald Steck , Tommi S. Jaakkola

Trustworthy ML systems should not only return accurate predictions, but also a reliable representation of their uncertainty. Bayesian methods are commonly used to quantify both aleatoric and epistemic uncertainty, but alternative…

Artificial Intelligence · Computer Science 2024-09-11 Mira Jürgens , Nis Meinert , Viktor Bengs , Eyke Hüllermeier , Willem Waegeman

Active learning enhances the performance of machine learning methods, particularly in semi-supervised cases, by judiciously selecting a limited number of unlabeled data points for labeling, with the goal of improving the performance of an…

Machine Learning · Computer Science 2025-04-17 Gokul Bhusal , Kevin Miller , Ekaterina Merkurjev

Active learning aims to reduce the labeling effort that is required to train algorithms by learning an acquisition function selecting the most relevant data for which a label should be requested from a large unlabeled data pool. Active…

Computer Vision and Pattern Recognition · Computer Science 2021-10-12 Javad Zolfaghari Bengar , Joost van de Weijer , Laura Lopez Fuentes , Bogdan Raducanu

Data-efficient learning algorithms are essential in many practical applications where data collection is expensive, e.g., in robotics due to the wear and tear. To address this problem, meta-learning algorithms use prior experience about…

Machine Learning · Computer Science 2020-10-26 Jean Kaddour , Steindór Sæmundsson , Marc Peter Deisenroth

In the machine learning domain, active learning is an iterative data selection algorithm for maximizing information acquisition and improving model performance with limited training samples. It is very useful, especially for the industrial…

Machine Learning · Statistics 2020-04-24 Xiaowei Yue , Yuchen Wen , Jeffrey H. Hunt , Jianjun Shi

Active learning is a valuable tool for efficiently exploring complex spaces, finding a variety of uses in materials science. However, the determination of convex hulls for phase diagrams does not neatly fit into traditional active learning…

Materials Science · Physics 2024-02-27 Andrew Novick , Diana Cai , Quan Nguyen , Roman Garnett , Ryan Adams , Eric Toberer