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We introduce an explorative active learning (AL) algorithm based on Gaussian process regression and marginalized graph kernel (GPR-MGK) to explore chemical space with minimum cost. Using high-throughput molecular dynamics simulation to…

Machine Learning · Computer Science 2022-09-02 Yan Xiang , Yu-Hang Tang , Zheng Gong , Hongyi Liu , Liang Wu , Guang Lin , Huai Sun

Pool-based active learning (AL) is a promising technology for increasing data-efficiency of machine learning models. However, surveys show that performance of recent AL methods is very sensitive to the choice of dataset and training…

Machine Learning · Computer Science 2023-09-12 Tim Bakker , Herke van Hoof , Max Welling

Re-training a deep learning model each time a single data point receives a new label is impractical due to the inherent complexity of the training process. Consequently, existing active learning (AL) algorithms tend to adopt a batch-based…

Machine Learning · Computer Science 2023-12-19 Yunpyo An , Suyeong Park , Kwang In Kim

This paper examines the effectiveness of combining active learning and transfer learning for anomaly detection in cross-domain time-series data. Our results indicate that there is an interaction between clustering and active learning and in…

Machine Learning · Computer Science 2025-08-07 John D. Kelleher , Matthew Nicholson , Rahul Agrahari , Clare Conran

We propose a new active learning (AL) method for text classification with convolutional neural networks (CNNs). In AL, one selects the instances to be manually labeled with the aim of maximizing model performance with minimal effort. Neural…

Computation and Language · Computer Science 2016-12-02 Ye Zhang , Matthew Lease , Byron C. Wallace

Recent network traffic classification methods benefitfrom machine learning (ML) technology. However, there aremany challenges due to use of ML, such as: lack of high-qualityannotated datasets, data-drifts and other effects causing aging…

Networking and Internet Architecture · Computer Science 2022-11-16 Jaroslav Pešek , Dominik Soukup , Tomáš Čejka

Amorphous and amorphous porous palladium are key materials for catalysis, hydrogen storage, and functional applications, but their complex structures present computational challenges. This study employs a deep neural network trained on…

Materials Science · Physics 2025-02-11 Isaías Rodríguez

The field of Natural Language Generation (NLG) suffers from a severe shortage of labeled data due to the extremely expensive and time-consuming process involved in manual annotation. A natural approach for coping with this problem is active…

Computation and Language · Computer Science 2023-10-18 Yotam Perlitz , Ariel Gera , Michal Shmueli-Scheuer , Dafna Sheinwald , Noam Slonim , Liat Ein-Dor

Active learning (AL) aims at reducing labeling effort by identifying the most valuable unlabeled data points from a large pool. Traditional AL frameworks have two limitations: First, they perform data selection in a multi-round manner,…

Machine Learning · Computer Science 2021-08-09 Si Chen , Tianhao Wang , Ruoxi Jia

In many data mining applications collection of sufficiently large datasets is the most time consuming and expensive. On the other hand, industrial methods of data collection create huge databases, and make difficult direct applications of…

Machine Learning · Statistics 2011-08-03 Vladimir Nikulin

We propose machine learning (ML) models to predict the electron density -- the fundamental unknown of a material's ground state -- across the composition space of concentrated alloys. From this, other physical properties can be inferred,…

The increasing complexity of modern deep neural network models and the expanding sizes of datasets necessitate the development of optimized and scalable training methods. In this white paper, we addressed the challenge of efficiently…

Machine Learning · Computer Science 2024-04-29 Raphael Ruschel , A. S. M. Iftekhar , B. S. Manjunath , Suya You

Acquiring new knowledge without forgetting what has been learned in a sequence of tasks is the central focus of continual learning (CL). While tasks arrive sequentially, the training data are often prepared and annotated independently,…

Machine Learning · Computer Science 2024-01-31 Thuy-Trang Vu , Shahram Khadivi , Mahsa Ghorbanali , Dinh Phung , Gholamreza Haffari

Artificial neural networks suffer from catastrophic forgetting when they are sequentially trained on multiple tasks. To overcome this problem, we present a novel approach based on task-conditioned hypernetworks, i.e., networks that generate…

Machine Learning · Computer Science 2022-04-12 Johannes von Oswald , Christian Henning , Benjamin F. Grewe , João Sacramento

The remarkable advancements in large language models (LLMs) have significantly enhanced the performance in few-shot learning settings. By using only a small number of labeled examples, referred to as demonstrations, LLMs can effectively…

Computation and Language · Computer Science 2023-11-23 Katerina Margatina , Timo Schick , Nikolaos Aletras , Jane Dwivedi-Yu

Deep neural networks have become very popular in modeling complex nonlinear processes due to their extraordinary ability to fit arbitrary nonlinear functions from data with minimal expert intervention. However, they are almost always…

Chemical Physics · Physics 2023-01-16 Erlend Torje Berg Lundby , Adil Rasheed , Ivar Johan Halvorsen , Jan Tommy Gravdahl

Solving partial differential equations (PDEs) is a fundamental problem in science and engineering. While neural PDE solvers can be more efficient than established numerical solvers, they often require large amounts of training data that is…

Machine Learning · Computer Science 2025-03-25 Daniel Musekamp , Marimuthu Kalimuthu , David Holzmüller , Makoto Takamoto , Mathias Niepert

New technology for energy storage is necessary for the large-scale adoption of renewable energy sources like wind and solar. The ability to discover suitable catalysts is crucial for making energy storage more cost-effective and scalable.…

Chemical Physics · Physics 2024-04-17 Patrick Geitner

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

Existing literature in Continual Learning (CL) has focused on overcoming catastrophic forgetting, the inability of the learner to recall how to perform tasks observed in the past. There are however other desirable properties of a CL system,…

Machine Learning · Computer Science 2021-02-15 Tom Veniat , Ludovic Denoyer , Marc'Aurelio Ranzato
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