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In the early stages of drug discovery, decisions regarding which experiments to pursue can be influenced by computational models. These decisions are critical due to the time-consuming and expensive nature of the experiments. Therefore, it…

Machine Learning · Computer Science 2024-09-09 Emma Svensson , Hannah Rosa Friesacher , Susanne Winiwarter , Lewis Mervin , Adam Arany , Ola Engkvist

Out-of-distribution (OOD) generalization is a challenging machine learning problem yet highly desirable in many high-stake applications. Existing methods suffer from overly pessimistic modeling with low generalization confidence. As…

Machine Learning · Computer Science 2024-06-10 Fengchun Qiao , Xi Peng

Several data augmentation methods deploy unlabeled-in-distribution (UID) data to bridge the gap between the training and inference of neural networks. However, these methods have clear limitations in terms of availability of UID data and…

Machine Learning · Computer Science 2021-11-23 Saehyung Lee , Changhwa Park , Hyungyu Lee , Jihun Yi , Jonghyun Lee , Sungroh Yoon

Deep neural networks often face generalization problems to handle out-of-distribution (OOD) data, and there remains a notable theoretical gap between the contributing factors and their respective impacts. Literature evidence from…

Machine Learning · Computer Science 2024-04-24 Songming Zhang , Yuxiao Luo , Qizhou Wang , Haoang Chi , Xiaofeng Chen , Bo Han , Jinyan Li

This paper explores a multimodal co-training framework designed to enhance model generalization in situations where labeled data is limited and distribution shifts occur. We thoroughly examine the theoretical foundations of this framework,…

Machine Learning · Computer Science 2025-10-10 Tianyu Bell Pan , Damon L. Woodard

Standard machine learning is unable to accommodate inputs which do not belong to the training distribution. The resulting models often give rise to confident incorrect predictions which may lead to devastating consequences. This problem is…

Computer Vision and Pattern Recognition · Computer Science 2023-08-01 Matej Grcić , Petra Bevandić , Zoran Kalafatić , Siniša Šegvić

Machine learning models have made incredible progress, but they still struggle when applied to examples from unseen domains. This study focuses on a specific problem of domain generalization, where a model is trained on one source domain…

Computation and Language · Computer Science 2024-04-23 Tao Feng , Lizhen Qu , Zhuang Li , Haolan Zhan , Yuncheng Hua , Gholamreza Haffari

Deep Learning models are easily disturbed by variations in the input images that were not seen during training, resulting in unpredictable behaviours. Such Out-of-Distribution (OOD) images represent a significant challenge in the context of…

Image and Video Processing · Electrical Eng. & Systems 2024-10-28 Benjamin Lambert , Florence Forbes , Senan Doyle , Alan Tucholka , Michel Dojat

Detecting data points deviating from the training distribution is pivotal for ensuring reliable machine learning. Extensive research has been dedicated to the challenge, spanning classical anomaly detection techniques to contemporary…

Machine Learning · Computer Science 2024-05-30 Xuefeng Du , Yiyou Sun , Yixuan Li

The deployment of machine learning solutions in real-world scenarios often involves addressing the challenge of out-of-distribution (OOD) detection. While significant efforts have been devoted to OOD detection in classical supervised…

Computer Vision and Pattern Recognition · Computer Science 2023-11-10 Loïc Le Bescond , Maria Vakalopoulou , Stergios Christodoulidis , Fabrice André , Hugues Talbot

The ability of overparameterized deep networks to interpolate noisy data, while at the same time showing good generalization performance, has been recently characterized in terms of the double descent curve for the test error. Common…

Machine Learning · Computer Science 2023-04-11 Matteo Gamba , Erik Englesson , Mårten Björkman , Hossein Azizpour

In open-set semi-supervised learning (OSSL), we consider unlabeled datasets that may contain unknown classes. Existing OSSL methods often use the softmax confidence for classifying data as in-distribution (ID) or out-of-distribution (OOD).…

Machine Learning · Computer Science 2026-01-26 Erik Wallin , Lennart Svensson , Fredrik Kahl , Lars Hammarstrand

Machine learning algorithms typically assume that training and test examples are drawn from the same distribution. However, distribution shift is a common problem in real-world applications and can cause models to perform dramatically worse…

Machine Learning · Computer Science 2022-06-22 Huaxiu Yao , Yu Wang , Sai Li , Linjun Zhang , Weixin Liang , James Zou , Chelsea Finn

Open-set semi-supervised learning (open-set SSL) investigates a challenging but practical scenario where out-of-distribution (OOD) samples are contained in the unlabeled data. While the mainstream technique seeks to completely filter out…

Computer Vision and Pattern Recognition · Computer Science 2021-08-13 Junkai Huang , Chaowei Fang , Weikai Chen , Zhenhua Chai , Xiaolin Wei , Pengxu Wei , Liang Lin , Guanbin Li

In this work, we propose a simple yet effective semi-supervised learning approach called Augmented Distribution Alignment. We reveal that an essential sampling bias exists in semi-supervised learning due to the limited number of labeled…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Qin Wang , Wen Li , Luc Van Gool

Deep learning models frequently make incorrect predictions with high confidence when presented with test examples that are not well represented in their training dataset. We propose a novel and straightforward approach to estimate…

Machine Learning · Computer Science 2019-10-04 Tiago Ramalho , Miguel Miranda

Deep Learning sets the state-of-the-art in many challenging tasks showing outstanding performance in a broad range of applications. Despite its success, it still lacks robustness hindering its adoption in medical applications. Modeling…

Computer Vision and Pattern Recognition · Computer Science 2019-09-19 Agnieszka Tomczack , Nassir Navab , Shadi Albarqouni

Neural text classification models typically treat output labels as categorical variables which lack description and semantics. This forces their parametrization to be dependent on the label set size, and, hence, they are unable to scale to…

Computation and Language · Computer Science 2019-01-31 Nikolaos Pappas , James Henderson

Modern deep learning techniques have illustrated their excellent capabilities in many areas, but relies on large training data. Optimization-based meta-learning train a model on a variety tasks, such that it can solve new learning tasks…

Machine Learning · Computer Science 2023-02-23 Penghao Jiang , Ke Xin , Zifeng Wang , Chunxi Li

Most of the existing methods for anomaly detection use only positive data to learn the data distribution, thus they usually need a pre-defined threshold at the detection stage to determine whether a test instance is an outlier.…

Machine Learning · Computer Science 2019-03-19 Kai Tian , Shuigeng Zhou , Jianping Fan , Jihong Guan
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