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Deep learning has been widely used in various applications from different fields such as computer vision, natural language processing, etc. However, the training models are often manually developed via many costly experiments. This manual…

Machine Learning · Computer Science 2022-11-22 Thanh Phuong Pham

Aligning large language models (LLMs) depends on high-quality datasets of human preference labels, which are costly to collect. Although active learning has been studied to improve sample efficiency relative to passive collection, many…

Machine Learning · Computer Science 2026-02-03 Yao Zhao , Kwang-Sung Jun

In this paper, we propose a novel sequential data-driven method for dealing with equilibrium based chemical simulations, which can be seen as a specific machine learning approach called active learning. The underlying idea of our approach…

Machine Learning · Statistics 2024-01-26 Mary Savino , Céline Lévy-Leduc , Marc Leconte , Benoit Cochepin

Computer models are widely used to study complex real world physical systems. However, there are major limitations to their direct use including: their complex structure; large numbers of inputs and outputs; and long evaluation times.…

Methodology · Statistics 2025-05-05 Jonathan Owen , Ian Vernon

In recent years, many design automation methods have been developed to routinely create approximate implementations of circuits and programs that show excellent trade-offs between the quality of output and required resources. This paper…

Neural and Evolutionary Computing · Computer Science 2021-08-17 Lukas Sekanina

A well-known drawback of state-of-the-art machine-learning interatomic potentials is their poor ability to extrapolate beyond the training domain. For small-scale problems with tens to hundreds of atoms this can be solved by using active…

Computational Physics · Physics 2020-09-22 Max Hodapp , Alexander Shapeev

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

Autonomous physical science is revolutionizing materials science. In these systems, machine learning controls experiment design, execution, and analysis in a closed loop. Active learning, the machine learning field of optimal experiment…

Materials Science · Physics 2022-04-13 Alex Wang , Haotong Liang , Austin McDannald , Ichiro Takeuchi , A. Gilad Kusne

We propose an active learning algorithm for linear system identification with optimal centered noise excitation. Notably, our algorithm, based on ordinary least squares and semidefinite programming, attains the minimal sample complexity…

Optimization and Control · Mathematics 2026-04-08 Kaito Ito , Alexandre Proutiere

We study active preference learning as a framework for intuitively specifying the behaviour of autonomous robots. In active preference learning, a user chooses the preferred behaviour from a set of alternatives, from which the robot learns…

Robotics · Computer Science 2020-09-30 Nils Wilde , Dana Kulic , Stephen L. Smith

Self-supervised learning is the backbone of state of the art language modeling. It has been argued that training with predictive loss on a self-supervised dataset causes simulators: entities that internally represent possible configurations…

Machine Learning · Computer Science 2024-01-31 Luke Marks

Recent years have witnessed amazing outcomes from "Big Models" trained by "Big Data". Most popular algorithms for model training are iterative. Due to the surging volumes of data, we can usually afford to process only a fraction of the…

Databases · Computer Science 2015-12-15 Jinyang Gao , H. V. Jagadish , Beng Chin Ooi

Active learning is usually applied to acquire labels of informative data points in supervised learning, to maximize accuracy in a sample-efficient way. However, maximizing the accuracy is not the end goal when the results are used for…

Machine Learning · Statistics 2021-10-22 Louis Filstroff , Iiris Sundin , Petrus Mikkola , Aleksei Tiulpin , Juuso Kylmäoja , Samuel Kaski

Active learning of physical systems must commonly respect practical safety constraints, which restricts the exploration of the design space. Gaussian Processes (GPs) and their calibrated uncertainty estimations are widely used for this…

Machine Learning · Computer Science 2024-04-16 Jörn Tebbe , Christoph Zimmer , Ansgar Steland , Markus Lange-Hegermann , Fabian Mies

Different activation functions work best for different deep learning models. To exploit this, we leverage recent advancements in gradient-based search techniques for neural architectures to efficiently identify high-performing activation…

Machine Learning · Computer Science 2024-08-14 Lukas Strack , Mahmoud Safari , Frank Hutter

Machine learning researchers have long noticed the phenomenon that the model training process will be more effective and efficient when the training samples are densely sampled around the underlying decision boundary. While this observation…

Machine Learning · Computer Science 2021-09-24 Honggang Yu , Shihfeng Zeng , Teng Zhang , Ing-Chao Lin , Yier Jin

Simulating complex physical processes across a domain of input parameters can be very computationally expensive. Multi-fidelity surrogate modeling can resolve this issue by integrating cheaper simulations with the expensive ones in order to…

Methodology · Statistics 2026-02-03 Romain Boutelet , Chih-Li Sung

We consider the problem of active learning for global sensitivity analysis of expensive black-box functions. Our aim is to efficiently learn the importance of different input variables, e.g., in vehicle safety experimentation, we study the…

Machine Learning · Computer Science 2024-10-22 Syrine Belakaria , Benjamin Letham , Janardhan Rao Doppa , Barbara Engelhardt , Stefano Ermon , Eytan Bakshy

Emulator embedded neural networks, which are a type of physics informed neural network, leverage multi-fidelity data sources for efficient design exploration of aerospace engineering systems. Multiple realizations of the neural network…

Machine Learning · Computer Science 2023-09-14 Atticus Beachy , Harok Bae , Jose Camberos , Ramana Grandhi

A new type of experiment that aims to determine the optimal quantities of a sequence of factors is eliciting considerable attention in medical science, bioengineering, and many other disciplines. Such studies require the simultaneous…

Methodology · Statistics 2022-09-14 Qian Xiao , Yaping Wang , Abhyuday Mandal , Xinwei Deng
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