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Recent advances in machine learning have made significant contributions to drug discovery. Deep neural networks in particular have been demonstrated to provide significant boosts in predictive power when inferring the properties and…

Machine Learning · Computer Science 2016-11-11 Han Altae-Tran , Bharath Ramsundar , Aneesh S. Pappu , Vijay Pande

Few-shot learning is a promising approach to molecular property prediction as supervised data is often very limited. However, many important molecular properties depend on complex molecular characteristics -- such as the various 3D…

Machine Learning · Computer Science 2023-10-10 Christopher Fifty , Joseph M. Paggi , Ehsan Amid , Jure Leskovec , Ron Dror

In order to quickly adapt to new data, few-shot learning aims at learning from few examples, often by using already acquired knowledge. The new data often differs from the previously seen data due to a domain shift, that is, a change of the…

In-context learning has become an important approach for few-shot learning in Large Language Models because of its ability to rapidly adapt to new tasks without fine-tuning model parameters. However, it is restricted to applications in…

Machine Learning · Computer Science 2023-10-16 Christopher Fifty , Jure Leskovec , Sebastian Thrun

In the drug discovery process, the low success rate of drug candidate screening often leads to insufficient labeled data, causing the few-shot learning problem in molecular property prediction. Existing methods for few-shot molecular…

Machine Learning · Computer Science 2024-10-30 Ruifeng Li , Wei Liu , Xiangxin Zhou , Mingqian Li , Qiang Zhang , Hongyang Chen , Xuemin Lin

Few-shot learning (FSL) aims at recognizing novel classes given only few training samples, which still remains a great challenge for deep learning. However, humans can easily recognize novel classes with only few samples. A key component of…

Computer Vision and Pattern Recognition · Computer Science 2020-09-23 Yixiong Zou , Shanghang Zhang , Ke Chen , Yonghong Tian , Yaowei Wang , José M. F. Moura

Few-shot learning is a challenging problem since only a few examples are provided to recognize a new class. Several recent studies exploit additional semantic information, e.g. text embeddings of class names, to address the issue of rare…

Computer Vision and Pattern Recognition · Computer Science 2023-03-27 Wentao Chen , Chenyang Si , Zhang Zhang , Liang Wang , Zilei Wang , Tieniu Tan

Real-world contains an overwhelmingly large number of object classes, learning all of which at once is infeasible. Few shot learning is a promising learning paradigm due to its ability to learn out of order distributions quickly with only a…

Computer Vision and Pattern Recognition · Computer Science 2020-08-05 Jathushan Rajasegaran , Salman Khan , Munawar Hayat , Fahad Shahbaz Khan , Mubarak Shah

In many real-world problems, collecting a large number of labeled samples is infeasible. Few-shot learning (FSL) is the dominant approach to address this issue, where the objective is to quickly adapt to novel categories in presence of a…

Computer Vision and Pattern Recognition · Computer Science 2021-04-20 Mamshad Nayeem Rizve , Salman Khan , Fahad Shahbaz Khan , Mubarak Shah

Over the past few years, there has been a significant improvement in the domain of few-shot learning. This learning paradigm has shown promising results for the challenging problem of anomaly detection, where the general task is to deal…

Computer Vision and Pattern Recognition · Computer Science 2022-11-24 Soumyajit Karmakar , Abeer Banerjee , Prashant Sadashiv Gidde , Sumeet Saurav , Sanjay Singh

Publicly available collections of drug-like molecules have grown to comprise 10s of billions of possibilities in recent history due to advances in chemical synthesis. Traditional methods for identifying "hit" molecules from a large…

Modern drug discovery is often time-consuming, complex and cost-ineffective due to the large volume of molecular data and complicated molecular properties. Recently, machine learning algorithms have shown promising results in virtual…

Neural and Evolutionary Computing · Computer Science 2022-02-08 Dongning Ma , Rahul Thapa , Xun Jiao

Few-shot learning aims at leveraging knowledge learned by one or more deep learning models, in order to obtain good classification performance on new problems, where only a few labeled samples per class are available. Recent years have seen…

Machine Learning · Computer Science 2022-02-08 Yassir Bendou , Yuqing Hu , Raphael Lafargue , Giulia Lioi , Bastien Pasdeloup , Stéphane Pateux , Vincent Gripon

Few-shot Learning aims to learn and distinguish new categories with a very limited number of available images, presenting a significant challenge in the realm of deep learning. Recent researchers have sought to leverage the additional…

Computer Vision and Pattern Recognition · Computer Science 2024-03-26 Chunpeng Zhou , Haishuai Wang , Xilu Yuan , Zhi Yu , Jiajun Bu

The task of Few-shot learning (FSL) aims to transfer the knowledge learned from base categories with sufficient labelled data to novel categories with scarce known information. It is currently an important research question and has great…

Computer Vision and Pattern Recognition · Computer Science 2022-11-30 Chengming Xu , Chen Liu , Xinwei Sun , Siqian Yang , Yabiao Wang , Chengjie Wang , Yanwei Fu

Few-shot class-incremental learning is to recognize the new classes given few samples and not forget the old classes. It is a challenging task since representation optimization and prototype reorganization can only be achieved under little…

Computer Vision and Pattern Recognition · Computer Science 2021-07-20 Kai Zhu , Yang Cao , Wei Zhai , Jie Cheng , Zheng-Jun Zha

Molecular property prediction (MPP) is a cornerstone of drug discovery and materials science, yet conventional deep learning approaches depend on large labeled datasets that are often unavailable. Few-shot Molecular property prediction…

Machine Learning · Computer Science 2025-10-27 Xiangyang Xu , Hongyang Gao

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing…

Machine Learning · Computer Science 2024-06-11 Binghui Xie , Yatao Bian , Kaiwen zhou , Yongqiang Chen , Peilin Zhao , Bo Han , Wei Meng , James Cheng

Few-shot molecular property prediction (FSMPP) is essential in drug discovery and materials design, where high-quality labeled data are often scarce and expensive to obtain. Despite the promising performance of existing methods, especially…

Computational Engineering, Finance, and Science · Computer Science 2026-05-14 Zeyu Wang , Xin Zheng , Yao Lu , Shanqing Yu , Qi Xuan , Shirui Pan

In recent years, few-shot action recognition has attracted increasing attention. It generally adopts the paradigm of meta-learning. In this field, overcoming the overlapping distribution of classes and outliers is still a challenging…

Computer Vision and Pattern Recognition · Computer Science 2024-01-17 Fei Guo , YiKang Wang , Han Qi , WenPing Jin , Li Zhu
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