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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

Active learning aims to reduce labeling costs by selecting only the most informative samples on a dataset. Few existing works have addressed active learning for object detection. Most of these methods are based on multiple models or are…

Computer Vision and Pattern Recognition · Computer Science 2021-08-24 Jiwoong Choi , Ismail Elezi , Hyuk-Jae Lee , Clement Farabet , Jose M. Alvarez

Empirical data can often be considered as samples from a set of probability distributions. Kernel methods have emerged as a natural approach for learning to classify these distributions. Although numerous kernels between distributions have…

Machine Learning · Computer Science 2024-12-02 Oleksii Kachaiev , Stefano Recanatesi

At its core, this thesis aims to enhance the practicality of deep learning by improving the label and training efficiency of deep learning models. To this end, we investigate data subset selection techniques, specifically active learning…

Machine Learning · Computer Science 2024-03-11 Andreas Kirsch

In this work we present a general machine learning based scheme to optimize experimental control. The method utilizes the neural network to learn the relation between the control parameters and the control goal, with which the optimal…

Quantum Gases · Physics 2020-11-03 Yadong Wu , Zengming Meng , Kai Wen , Chengdong Mi , Jing Zhang , Hui Zhai

Throughout computational science, there is a growing need to utilize the continual improvements in raw computational horsepower to achieve greater physical fidelity through scale-bridging over brute-force increases in the number of mesh…

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

The exploding research interest for neural networks in modeling nonlinear dynamical systems is largely explained by the networks' capacity to model complex input-output relations directly from data. However, they typically need vast…

Artificial Intelligence · Computer Science 2023-02-27 Erlend Torje Berg Lundby , Adil Rasheed , Ivar Johan Halvorsen , Dirk Reinhardt , Sebastien Gros , Jan Tommy Gravdahl

Machine-learning force fields enable an accurate and universal description of the potential energy surface of molecules and materials on the basis of a training set of ab initio data. However, large-scale applications of these methods rest…

Computational Physics · Physics 2023-07-25 Valerio Briganti , Alessandro Lunghi

The abundance of training data is not guaranteed in various supervised learning applications. One of these situations is the post-earthquake regional damage assessment of buildings. Querying the damage label of each building requires a…

Machine Learning · Computer Science 2021-08-17 Mohamadreza Sheibani , Ge Ou

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…

Materials Science · Physics 2021-05-27 Nathan J. Szymanski , Christopher J. Bartel , Yan Zeng , Qingsong Tu , Gerbrand Ceder

We introduce a machine-learning approach for identifying hidden structural features of open quantum dynamics under restricted experimental access. Unlike most existing data-driven methods which focus on detection or prediction of dynamical…

Quantum Physics · Physics 2026-04-02 Alexander Teretenkov , Sergey Kuznetsov , Alexander Pechen

Causal structure learning is a key problem in many domains. Causal structures can be learnt by performing experiments on the system of interest. We address the largely unexplored problem of designing a batch of experiments that each…

Machine Learning · Computer Science 2021-11-25 Scott Sussex , Andreas Krause , Caroline Uhler

Active localization is the problem of generating robot actions that allow it to maximally disambiguate its pose within a reference map. Traditional approaches to this use an information-theoretic criterion for action selection and…

Robotics · Computer Science 2019-03-06 Sai Krishna , Keehong Seo , Dhaivat Bhatt , Vincent Mai , Krishna Murthy , Liam Paull

The remarkable performance of deep neural networks depends on the availability of massive labeled data. To alleviate the load of data annotation, active deep learning aims to select a minimal set of training points to be labelled which…

Machine Learning · Computer Science 2020-03-24 Dan Kushnir , Luca Venturi

Robots can rapidly acquire new skills from demonstrations. However, during generalisation of skills or transitioning across fundamentally different skills, it is unclear whether the robot has the necessary knowledge to perform the task.…

Machine Learning · Statistics 2018-08-08 Nutan Chen , Alexej Klushyn , Alexandros Paraschos , Djalel Benbouzid , Patrick van der Smagt

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…

Chemical Physics · Physics 2019-06-25 K. T. Schütt , M. Gastegger , A. Tkatchenko , K. -R. Müller , R. J. Maurer

Self-driving vehicles must perceive and predict the future positions of nearby actors in order to avoid collisions and drive safely. A learned deep learning module is often responsible for this task, requiring large-scale, high-quality…

Computer Vision and Pattern Recognition · Computer Science 2021-04-09 Sean Segal , Nishanth Kumar , Sergio Casas , Wenyuan Zeng , Mengye Ren , Jingkang Wang , Raquel Urtasun

Active inference is a theory of perception, learning and decision making, which can be applied to neuroscience, robotics, and machine learning. Recently, reasearch has been taking place to scale up this framework using Monte-Carlo tree…

Artificial Intelligence · Computer Science 2023-05-09 Théophile Champion , Marek Grześ , Lisa Bonheme , Howard Bowman

The success of kernel-based learning methods depend on the choice of kernel. Recently, kernel learning methods have been proposed that use data to select the most appropriate kernel, usually by combining a set of base kernels. We introduce…

Machine Learning · Computer Science 2011-12-21 Arash Afkanpour , Csaba Szepesvari , Michael Bowling
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