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Deep Learning has been shown to learn efficient representations for structured data such as image, text or audio. In this chapter, we present neural network architectures that are able to learn efficient representations of molecules and…

计算物理 · 物理学 2018-12-13 Kristof T. Schütt , Alexandre Tkatchenko , Klaus-Robert Müller

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…

化学物理 · 物理学 2019-06-25 K. T. Schütt , M. Gastegger , A. Tkatchenko , K. -R. Müller , R. J. Maurer

Deep Neural Network (DNN) has recently achieved outstanding performance in a variety of computer vision tasks, including facial attribute classification. The great success of classifying facial attributes with DNN often relies on a massive…

计算机视觉与模式识别 · 计算机科学 2018-05-04 Ni Zhuang , Yan Yan , Si Chen , Hanzi Wang , Chunhua Shen

Deep convolutional neural networks (CNNs) have demonstrated remarkable success in computer vision by supervisedly learning strong visual feature representations. However, training CNNs relies heavily on the availability of exhaustive…

计算机视觉与模式识别 · 计算机科学 2019-05-31 Jiabo Huang , Qi Dong , Shaogang Gong , Xiatian Zhu

Fully supervised change detection methods require difficult to procure pixel-level labels, while weakly supervised approaches can be trained with image-level labels. However, most of these approaches require a combination of changed and…

计算机视觉与模式识别 · 计算机科学 2020-11-10 Philipp Andermatt , Radu Timofte

Transfer learning is a machine learning technique that uses previously acquired knowledge from a source domain to enhance learning in a target domain by reusing learned weights. This technique is ubiquitous because of its great advantages…

计算机视觉与模式识别 · 计算机科学 2026-05-14 Nermeen Abou Baker , Nico Zengeler , Uwe Handmann

Standard deep neural networks (DNNs) are commonly trained in an end-to-end fashion for specific tasks such as object recognition, face identification, or character recognition, among many examples. This specificity often leads to…

计算机视觉与模式识别 · 计算机科学 2020-07-14 Raphaël Achddou , J. Matias di Martino , Guillermo Sapiro

The growing use of Machine Learning has produced significant advances in many fields. For image-based tasks, however, the use of deep learning remains challenging in small datasets. In this article, we review, evaluate and compare the…

机器学习 · 计算机科学 2021-06-09 Miguel Romero , Yannet Interian , Timothy Solberg , Gilmer Valdes

The lightweight semi-supervised learning (LSL) strategy provides an effective approach of conserving labeled samples and minimizing model inference costs. Prior research has effectively applied knowledge transfer learning and co-training…

Toxicity prediction of chemical compounds is a grand challenge. Lately, it achieved significant progress in accuracy but using a huge set of features, implementing a complex blackbox technique such as a deep neural network, and exploiting…

机器学习 · 计算机科学 2019-01-29 Abdul Karim , Avinash Mishra , M A Hakim Newton , Abdul Sattar

Learning from small amounts of labeled data is a challenge in the area of deep learning. This is currently addressed by Transfer Learning where one learns the small data set as a transfer task from a larger source dataset. Transfer Learning…

计算机视觉与模式识别 · 计算机科学 2018-07-31 Parijat Dube , Bishwaranjan Bhattacharjee , Elisabeth Petit-Bois , Matthew Hill

Pre-training a deep neural network on the ImageNet dataset is a common practice for training deep learning models, and generally yields improved performance and faster training times. The technique of pre-training on one task and then…

机器学习 · 计算机科学 2020-01-03 Nishai Kooverjee , Steven James , Terence van Zyl

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…

计算机视觉与模式识别 · 计算机科学 2020-07-21 Hu Wang , Guansong Pang , Chunhua Shen , Congbo Ma

Neural networks have been successfully applied in applications with a large amount of labeled data. However, the task of rapid generalization on new concepts with small training data while preserving performances on previously learned ones…

机器学习 · 计算机科学 2017-06-09 Tsendsuren Munkhdalai , Hong Yu

We present a novel approach to leverage large unlabeled datasets by pre-training state-of-the-art deep neural networks on randomly-labeled datasets. Specifically, we train the neural networks to memorize arbitrary labels for all the samples…

机器学习 · 计算机科学 2018-11-06 Vinaychandran Pondenkandath , Michele Alberti , Sammer Puran , Rolf Ingold , Marcus Liwicki

Predicting the chemical properties of compounds is crucial in discovering novel materials and drugs with specific desired characteristics. Recent significant advances in machine learning technologies have enabled automatic predictive…

定量方法 · 定量生物学 2021-12-10 Yang Liu , Hisashi Kashima

Supervised machine learning is emerging as a powerful computational tool to predict the properties of complex quantum systems at a limited computational cost. In this article, we quantify how accurately deep neural networks can learn the…

计算物理 · 物理学 2020-09-03 N. Saraceni , S. Cantori , S. Pilati

In many machine learning applications, labeled data is scarce and obtaining more labels is expensive. We introduce a new approach to supervising neural networks by specifying constraints that should hold over the output space, rather than…

人工智能 · 计算机科学 2016-09-20 Russell Stewart , Stefano Ermon

Deep Convolutional Neural Networks (CNN) enforces supervised information only at the output layer, and hidden layers are trained by back propagating the prediction error from the output layer without explicit supervision. We propose a…

计算机视觉与模式识别 · 计算机科学 2016-06-07 Zhuolin Jiang , Yaming Wang , Larry Davis , Walt Andrews , Viktor Rozgic

Deep Neural Networks (DNNs) provide state-of-the-art solutions in several difficult machine perceptual tasks. However, their performance relies on the availability of a large set of labeled training data, which limits the breadth of their…

机器学习 · 计算机科学 2018-03-01 Randall Balestriero , Herve Glotin , Richard Baraniuk