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Self-supervised pre-training is gaining increasingly more popularity in AI-aided drug discovery, leading to more and more pre-trained models with the promise that they can extract better feature representations for molecules. Yet, the…

Biomolecules · Quantitative Biology 2022-09-16 Ziqiao Zhang , Yatao Bian , Ailin Xie , Pengju Han , Long-Kai Huang , Shuigeng Zhou

Supervised learning, characterized by both discriminative and generative learning, seeks to predict the values of single (or sometimes multiple) predefined target attributes based on a predefined set of predictor attributes. For…

Machine Learning · Computer Science 2020-11-13 Yuan Jin , Wray Buntine , Francois Petitjean , Geoffrey I. Webb

In many wireless application scenarios, acquiring labeled data can be prohibitively costly, requiring complex optimization processes or measurement campaigns. Semi-supervised learning leverages unlabeled samples to augment the available…

Information Theory · Computer Science 2024-10-08 Houssem Sifaou , Osvaldo Simeone

In this work, we study different approaches to self-supervised pretraining of object detection models. We first design a general framework to learn a spatially consistent dense representation from an image, by randomly sampling and…

Computer Vision and Pattern Recognition · Computer Science 2022-08-12 Trung Dang , Simon Kornblith , Huy Thong Nguyen , Peter Chin , Maryam Khademi

Self-supervised representation learning solves auxiliary prediction tasks (known as pretext tasks) without requiring labeled data to learn useful semantic representations. These pretext tasks are created solely using the input features,…

Machine Learning · Computer Science 2021-11-16 Jason D. Lee , Qi Lei , Nikunj Saunshi , Jiacheng Zhuo

The goal of semi-supervised learning is to utilize the unlabeled, in-domain dataset U to improve models trained on the labeled dataset D. Under the context of large-scale language-model (LM) pretraining, how we can make the best use of U is…

Computation and Language · Computer Science 2020-11-20 Zijun Sun , Chun Fan , Xiaofei Sun , Yuxian Meng , Fei Wu , Jiwei Li

In defense-related remote sensing applications, such as vehicle detection on satellite imagery, supervised learning requires a huge number of labeled examples to reach operational performances. Such data are challenging to obtain as it…

Computer Vision and Pattern Recognition · Computer Science 2024-10-08 Jules BOURCIER , Thomas Floquet , Gohar Dashyan , Tugdual Ceillier , Karteek Alahari , Jocelyn Chanussot

Pre-training has exhibited notable benefits to downstream tasks by boosting accuracy and speeding up convergence, but the exact reasons for these benefits still remain unclear. To this end, we propose to quantitatively and explicitly…

Machine Learning · Computer Science 2024-10-14 Xin Jiang , Xu Cheng , Zechao Li

As a dominant paradigm, fine-tuning a pre-trained model on the target data is widely used in many deep learning applications, especially for small data sets. However, recent studies have empirically shown that training from scratch has the…

Computer Vision and Pattern Recognition · Computer Science 2022-05-27 Ziquan Liu , Yi Xu , Yuanhong Xu , Qi Qian , Hao Li , Xiangyang Ji , Antoni Chan , Rong Jin

Self-supervised feature representations have been shown to be useful for supervised classification, few-shot learning, and adversarial robustness. We show that features obtained using self-supervised learning are comparable to, or better…

Computer Vision and Pattern Recognition · Computer Science 2020-03-31 Isabela Albuquerque , Nikhil Naik , Junnan Li , Nitish Keskar , Richard Socher

We present a methodology for using unlabeled data to design semi-supervised learning (SSL) methods that improve the predictive performance of supervised learning for regression tasks. The main idea is to design different mechanisms for…

Methodology · Statistics 2025-11-18 Oren Yuval , Saharon Rosset

Deep learning methods for material property prediction have been widely explored to advance materials discovery. However, the prevailing pre-train then fine-tune paradigm often fails to address the inherent diversity and disparity of…

Deep neural networks have gained tremendous success in a broad range of machine learning tasks due to its remarkable capability to learn semantic-rich features from high-dimensional data. However, they often require large-scale labelled…

Computer Vision and Pattern Recognition · Computer Science 2020-07-21 Hu Wang , Guansong Pang , Chunhua Shen , Congbo Ma

Transfer learning has become a standard practice to mitigate the lack of labeled data in medical classification tasks. Whereas finetuning a downstream task using supervised ImageNet pretrained features is straightforward and extensively…

Computer Vision and Pattern Recognition · Computer Science 2023-11-27 Tuan Truong , Sadegh Mohammadi , Matthias Lenga

While self-supervised pretraining has proven beneficial for many computer vision tasks, it requires expensive and lengthy computation, large amounts of data, and is sensitive to data augmentation. Prior work demonstrates that models…

Computer Vision and Pattern Recognition · Computer Science 2021-03-26 Colorado J. Reed , Xiangyu Yue , Ani Nrusimha , Sayna Ebrahimi , Vivek Vijaykumar , Richard Mao , Bo Li , Shanghang Zhang , Devin Guillory , Sean Metzger , Kurt Keutzer , Trevor Darrell

When using recurrent neural networks (RNNs) it is common practice to apply trained models to sequences longer than those seen in training. This "extrapolating" usage deviates from the traditional statistical learning setup where guarantees…

Machine Learning · Computer Science 2022-03-25 Edo Cohen-Karlik , Avichai Ben David , Nadav Cohen , Amir Globerson

Few-shot learning and self-supervised learning address different facets of the same problem: how to train a model with little or no labeled data. Few-shot learning aims for optimization methods and models that can learn efficiently to…

Computer Vision and Pattern Recognition · Computer Science 2019-06-13 Spyros Gidaris , Andrei Bursuc , Nikos Komodakis , Patrick Pérez , Matthieu Cord

This work presents a general unsupervised learning method to improve the accuracy of sequence to sequence (seq2seq) models. In our method, the weights of the encoder and decoder of a seq2seq model are initialized with the pretrained weights…

Computation and Language · Computer Science 2018-02-23 Prajit Ramachandran , Peter J. Liu , Quoc V. Le

Prediction-Powered Inference (PPI) is a recently proposed statistical inference technique for parameter estimation that leverages pseudo-labels on both labeled and unlabeled data to construct an unbiased, low-variance estimator. In this…

Machine Learning · Computer Science 2025-10-28 Noa Shoham , Ron Dorfman , Shalev Shaer , Kfir Y. Levy , Yaniv Romano

Machine learning models have been widely applied for material property prediction. However, practical application of these models can be hindered by a lack of information about how well they will perform on previously unseen types of…

Materials Science · Physics 2023-02-14 Gihan Panapitiya , Emily Saldanha