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Traditional methods for solvability region analysis can only have inner approximations with inconclusive conservatism. Machine learning methods have been proposed to approach the real region. In this letter, we propose a deep active…

Machine Learning · Computer Science 2020-12-23 Yichen Zhang , Jianzhe Liu , Feng Qiu , Tianqi Hong , Rui Yao

Rapid emergence of the multimodal imaging in scanning probe, electron, and optical microscopies have brought forth the challenge of understanding the information contained in these complex data sets, targeting both the intrinsic…

Materials Science · Physics 2021-10-14 Yongtao Liu , Maxim Ziatdinov , Sergei V. Kalinin

Given the growing amount of industrial data spaces worldwide, deep learning solutions have become popular for predictive maintenance, which monitor assets to optimise maintenance tasks. Choosing the most suitable architecture for each…

Machine Learning · Computer Science 2020-10-08 Oscar Serradilla , Ekhi Zugasti , Urko Zurutuza

Active learning strategies respond to the costly labelling task in a supervised classification by selecting the most useful unlabelled examples in training a predictive model. Many conventional active learning algorithms focus on refining…

Machine Learning · Computer Science 2014-08-12 Djallel Bouneffouf

Classical learning assumes the learner is given a labeled data sample, from which it learns a model. The field of Active Learning deals with the situation where the learner begins not with a training sample, but instead with resources that…

Machine Learning · Computer Science 2012-07-19 Omid Madani , Daniel J. Lizotte , Russell Greiner

The ability of deep learning methods to perform classification and regression tasks relies heavily on their capacity to uncover manifolds in high-dimensional data spaces and project them into low-dimensional representation spaces. In this…

Machine Learning · Computer Science 2023-09-20 Mani Valleti , Rama K. Vasudevan , Maxim A. Ziatdinov , Sergei V. Kalinin

In recent years the machine learning techniques have shown a great potential in various problems from a multitude of disciplines, including materials design and drug discovery. The high computational speed on the one hand and the accuracy…

Chemical Physics · Physics 2018-05-09 Konstantin Gubaev , Evgeny V. Podryabinkin , Alexander V. Shapeev

The great success that deep models have achieved in the past is mainly owed to large amounts of labeled training data. However, the acquisition of labeled data for new tasks aside from existing benchmarks is both challenging and costly.…

Computer Vision and Pattern Recognition · Computer Science 2018-09-27 Clemens-Alexander Brust , Christoph Käding , Joachim Denzler

Deep active inference has been proposed as a scalable approach to perception and action that deals with large policy and state spaces. However, current models are limited to fully observable domains. In this paper, we describe a deep active…

Machine Learning · Computer Science 2021-02-08 Otto van der Himst , Pablo Lanillos

Analysis of molecular scale interactions and chemical structure offers an enormous opportunity to tune material properties for targeted applications. However, designing materials from molecular scale is a grand challenge owing to the…

Materials Science · Physics 2021-11-19 Praneeth S Ramesh , Tarak K Patra

We introduce a model that learns active learning algorithms via metalearning. For a distribution of related tasks, our model jointly learns: a data representation, an item selection heuristic, and a method for constructing prediction…

Machine Learning · Computer Science 2017-08-02 Philip Bachman , Alessandro Sordoni , Adam Trischler

Active learning in computer experiments aims at allocating resources in an intelligent manner based on the already observed data to satisfy certain objectives such as emulating or optimizing a computationally expensive function. There are…

Methodology · Statistics 2025-01-24 Difan Song , V. Roshan Joseph

How can we find a general way to choose the most suitable samples for training a classifier? Even with very limited prior information? Active learning, which can be regarded as an iterative optimization procedure, plays a key role to…

Machine Learning · Computer Science 2019-04-16 Bo Du , Zengmao Wang , Lefei Zhang , Liangpei Zhang , Wei Liu , Jialie Shen , Dacheng Tao

We investigate the application of active inference in developing energy-efficient control agents for manufacturing systems. Active inference, rooted in neuroscience, provides a unified probabilistic framework integrating perception,…

Machine Learning · Computer Science 2025-05-28 Yavar Taheri Yeganeh , Mohsen Jafari , Andrea Matta

Often the development of novel functional peptides is not amenable to high throughput or purely computational screening methods. Peptides must be synthesized one at a time in a process that does not generate large amounts of data. One way…

Biomolecules · Quantitative Biology 2020-12-14 Rainier Barrett , Andrew D. White

A major challenge in both neuroscience and machine learning is the development of useful tools for understanding complex information processing systems. One such tool is probes, i.e., supervised models that relate features of interest to…

Machine Learning · Computer Science 2021-04-19 Anna A. Ivanova , John Hewitt , Noga Zaslavsky

The scientific community has been increasingly interested in harnessing the power of deep learning to solve various domain challenges. However, despite the effectiveness in building predictive models, fundamental challenges exist in…

Computer Vision and Pattern Recognition · Computer Science 2020-07-01 Shusen Liu , Bhavya Kailkhura , Jize Zhang , Anna M. Hiszpanski , Emily Robertson , Donald Loveland , T. Yong-Jin Han

Deep neural networks are increasingly being used for the analysis of medical images. However, most works neglect the uncertainty in the model's prediction. We propose an uncertainty-aware deep kernel learning model which permits the…

Machine Learning · Computer Science 2021-06-11 Zhiliang Wu , Yinchong Yang , Jindong Gu , Volker Tresp

Computational materials science increasingly benefits from data management, automation, and algorithm-based decision-making for the simulation of material properties and behavior. Experimental materials science also changes rapidly by…

Active learning is the iterative construction of a classification model through targeted labeling, enabling significant labeling cost savings. As most research on active learning has been carried out before transformer-based language models…

Computation and Language · Computer Science 2022-03-22 Christopher Schröder , Andreas Niekler , Martin Potthast