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Accurate and efficient prediction of polymer properties is of key importance for polymer design. Traditional experimental tools and density function theory (DFT)-based simulations for polymer property evaluation, are both expensive and…

Materials Science · Physics 2024-10-08 Cong Shen , Yipeng Zhang , Fei Han , Kelin Xia

Annotating data is a time-consuming and costly task, but it is inherently required for supervised machine learning. Active Learning (AL) is an established method that minimizes human labeling effort by iteratively selecting the most…

Machine Learning · Computer Science 2025-06-05 Julius Gonsior , Tim Rieß , Anja Reusch , Claudio Hartmann , Maik Thiele , Wolfgang Lehner

A statistical emulator can be used as a surrogate of complex physics-based calculations to drastically reduce the computational cost. Its successful implementation hinges on an accurate representation of the nonlinear response surface with…

Chemical Physics · Physics 2024-01-31 Xinyi Fang , Mengyang Gu , Jianzhong Wu

Graph embedding provides an efficient solution for graph analysis by converting the graph into a low-dimensional space which preserves the structure information. In contrast to the graph structure data, the i.i.d. node embedding can be…

Machine Learning · Computer Science 2017-05-16 Hongyun Cai , Vincent W. Zheng , Kevin Chen-Chuan Chang

Abundant data is the key to successful machine learning. However, supervised learning requires annotated data that are often hard to obtain. In a classification task with limited resources, Active Learning (AL) promises to guide annotators…

Computation and Language · Computer Science 2017-05-09 Markus Borg , Iben Lennerstad , Rasmus Ros , Elizabeth Bjarnason

Temporal graph neural networks have shown promising results in learning inductive representations by automatically extracting temporal patterns. However, previous works often rely on complex memory modules or inefficient random walk methods…

Machine Learning · Computer Science 2024-01-10 Mohammad Ali Alomrani , Mahdi Biparva , Yingxue Zhang , Mark Coates

The ability of deep networks to learn superior representations hinges on leveraging the proper inductive biases, considering the inherent properties of datasets. In tabular domains, it is critical to effectively handle heterogeneous…

Machine Learning · Computer Science 2024-05-15 Kyungeun Lee , Ye Seul Sim , Hye-Seung Cho , Moonjung Eo , Suhee Yoon , Sanghyu Yoon , Woohyung Lim

Active learning (AL) strategies aim to train high-performance models with minimal labeling efforts, only selecting the most informative instances for annotation. Current approaches to evaluating data informativeness predominantly focus on…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Zhixuan Liang , Xingyu Zeng , Rui Zhao , Ping Luo

Supervised machine learning-based medical image computing applications necessitate expert label curation, while unlabelled image data might be relatively abundant. Active learning methods aim to prioritise a subset of available image data…

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

Conventional active learning (AL) frameworks aim to reduce the cost of data annotation by actively requesting the labeling for the most informative data points. However, introducing AL to data hungry deep learning algorithms has been a…

Computer Vision and Pattern Recognition · Computer Science 2022-10-13 Salman Mohamadi , Gianfranco Doretto , Donald A. Adjeroh

Multi-task learning (MTL) is an efficient solution to solve multiple tasks simultaneously in order to get better speed and performance than handling each single-task in turn. The most current methods can be categorized as either: (i) hard…

Computer Vision and Pattern Recognition · Computer Science 2019-12-02 Yifan Liu , Bohan Zhuang , Chunhua Shen , Hao Chen , Wei Yin

Data-driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and…

Machine Learning · Computer Science 2025-10-29 Robert J Appleton , Brian C Barnes , Alejandro Strachan

Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their ability to design new molecules and enhance specific properties…

Convolutional neural networks (CNNs) have been successfully applied to the single target tracking task in recent years. Generally, training a deep CNN model requires numerous labeled training samples, and the number and quality of these…

Computer Vision and Pattern Recognition · Computer Science 2022-01-14 Di Yuan , Xiaojun Chang , Yi Yang , Qiao Liu , Dehua Wang , Zhenyu He

Reinforcement Learning algorithms can learn complex behavioral patterns for sequential decision making tasks wherein an agent interacts with an environment and acquires feedback in the form of rewards sampled from it. Traditionally, such…

Machine Learning · Computer Science 2020-09-23 Sahil Sharma , Aravind Srinivas , Balaraman Ravindran

Obtaining annotations for complex computer vision tasks such as object detection is an expensive and time-intense endeavor involving a large number of human workers or expert opinions. Reducing the amount of annotations required while…

Computer Vision and Pattern Recognition · Computer Science 2023-10-03 Marius Schubert , Tobias Riedlinger , Karsten Kahl , Matthias Rottmann

Nanoparticles occur in various environments as a consequence of man-made processes, which raises concerns about their impact on the environment and human health. To allow for proper risk assessment, a precise and statistically relevant…

Machine learning and deep learning have gained popularity and achieved immense success in Drug discovery in recent decades. Historically, machine learning and deep learning models were trained on either structural data or chemical…

Machine Learning · Statistics 2019-09-18 Huy Ngoc Pham , Trung Hoang Le

This paper explores the integration of active machine learning (ML) for 6G networks, an area that remains under-explored yet holds potential. Unlike passive ML systems, active ML can be made to interact with the network environment. It…

Networking and Internet Architecture · Computer Science 2024-06-07 Omar Alhussein , Ning Zhang , Sami Muhaidat , Weihua Zhuang
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