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IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2022-08-01 Epub Date: 2022-06-21 DOI:10.1007/s00422-022-00937-6
Hervé Bourlard, Selen Hande Kabil
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引用次数: 6

Abstract

In Bourlard and Kamp (Biol Cybern 59(4):291-294, 1998), it was theoretically proven that autoencoders (AE) with single hidden layer (previously called "auto-associative multilayer perceptrons") were, in the best case, implementing singular value decomposition (SVD) Golub and Reinsch (Linear algebra, Singular value decomposition and least squares solutions, pp 134-151. Springer, 1971), equivalent to principal component analysis (PCA) Hotelling (Educ Psychol 24(6/7):417-441, 1993); Jolliffe (Principal component analysis, springer series in statistics, 2nd edn. Springer, New York ). That is, AE are able to derive the eigenvalues that represent the amount of variance covered by each component even with the presence of the nonlinear function (sigmoid-like, or any other nonlinear functions) present on their hidden units. Today, with the renewed interest in "deep neural networks" (DNN), multiple types of (deep) AE are being investigated as an alternative to manifold learning Cayton (Univ California San Diego Tech Rep 12(1-17):1, 2005) for conducting nonlinear feature extraction or fusion, each with its own specific (expected) properties. Many of those AE are currently being developed as powerful, nonlinear encoder-decoder models, or used to generate reduced and discriminant feature sets that are more amenable to different modeling and classification tasks. In this paper, we start by recalling and further clarifying the main conclusions of Bourlard and Kamp (Biol Cybern 59(4):291-294, 1998), supporting them by extensive empirical evidences, which were not possible to be provided previously (in 1988), due to the dataset and processing limitations. Upon full understanding of the underlying mechanisms, we show that it remains hard (although feasible) to go beyond the state-of-the-art PCA/SVD techniques for auto-association. Finally, we present a brief overview on different autoencoder models that are mainly in use today and discuss their rationale, relations and application areas.

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在Bourlard和Kamp (Biol Cybern 59(4):291- 294,1998)中,理论上证明了具有单个隐藏层的自编码器(AE)(以前称为“自关联多层感知器”)在最佳情况下实现了奇异值分解(SVD)。Golub和Reinsch(线性代数,奇异值分解和最小二乘解,pp 134-151)。Springer, 1971),相当于主成分分析(PCA) Hotelling (Educ Psychol 24(6/7):417-441, 1993);主成分分析,统计学中的springer级数,第2版。Springer出版社,纽约)。也就是说,即使在其隐藏单元上存在非线性函数(s型函数或任何其他非线性函数)的情况下,AE也能够推导出表示每个分量所覆盖的方差量的特征值。今天,随着对“深度神经网络”(DNN)的重新兴趣,多种类型的(深度)声发射正在被研究作为歧形学习的替代方法,用于进行非线性特征提取或融合(加利福尼亚大学圣地亚哥分校技术代表12(1-17):1,2005),每种都有自己特定的(预期的)属性。目前,许多AE被开发为功能强大的非线性编码器-解码器模型,或用于生成更适合不同建模和分类任务的简化和判别特征集。在本文中,我们首先回顾并进一步澄清了Bourlard和Kamp (Biol Cybern 59(4):291- 294,1998)的主要结论,并通过广泛的经验证据来支持他们,这些证据在以前(1988年)由于数据集和处理的限制而无法提供。在充分理解了潜在的机制之后,我们表明,要超越最先进的PCA/SVD技术进行自动关联仍然很难(尽管是可行的)。最后,我们简要概述了目前主要使用的各种自编码器模型,并讨论了它们的基本原理、关系和应用领域。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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