具有固定偏置配置的深度神经网络

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2021-07-03 DOI:10.3934/naco.2022016
Harbir Antil, Thomas S. Brown, R. Lohner, F. Togashi, Deepanshu Verma
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引用次数: 4

摘要

对于任何给定的神经网络结构,权重和偏置的排列都会得到相同的功能网络。这意味着用于“训练”或“学习”网络的优化算法在参数空间中面临着大量的等效最优解(即使是小型网络也有数百万个)。据我们所知,这一观察在文献中是缺失的。为了缩小参数搜索空间,引入了一种新的技术,使偏置向量的配置固定为单调递增。这是通过增加一个典型的学习问题来实现的,每个层的偏差向量上都有不等式约束。提出了一种基于Moreau-Yosida正则化的不等式约束处理算法,并证明了该算法的理论收敛性。将所提出的方法应用于标准三角函数和化学反应流中出现的更具挑战性的刚性常微分方程,清楚地说明了所提出方法的优点。该方法在TensorFlow中的MNIST数据集上的进一步应用表明,所提出的方法可以合并到任何现有的机器学习库中。
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Deep neural nets with fixed bias configuration
For any given neural network architecture a permutation of weights and biases results in the same functional network. This implies that optimization algorithms used to 'train' or 'learn' the network are faced with a very large number (in the millions even for small networks) of equivalent optimal solutions in the parameter space. To the best of our knowledge, this observation is absent in the literature. In order to narrow down the parameter search space, a novel technique is introduced in order to fix the bias vector configurations to be monotonically increasing. This is achieved by augmenting a typical learning problem with inequality constraints on the bias vectors in each layer. A Moreau-Yosida regularization based algorithm is proposed to handle these inequality constraints and a theoretical convergence of this algorithm is established. Applications of the proposed approach to standard trigonometric functions and more challenging stiff ordinary differential equations arising in chemically reacting flows clearly illustrate the benefits of the proposed approach. Further application of the approach on the MNIST dataset within TensorFlow, illustrate that the presented approach can be incorporated in any of the existing machine learning libraries.
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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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