Robust and resource efficient identification of shallow neural networks by fewest samples

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2020-10-01 DOI:10.1093/imaiai/iaaa036
Massimo Fornasier;Jan Vybíral;Ingrid Daubechies
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引用次数: 12

Abstract

We address the structure identification and the uniform approximation of sums of ridge functions $f(x)=\sum _{i=1}^m g_i(\langle a_i,x\rangle )$ on ${\mathbb{R}}^d$ , representing a general form of a shallow feed-forward neural network, from a small number of query samples. Higher order differentiation, as used in our constructive approximations, of sums of ridge functions or of their compositions, as in deeper neural network, yields a natural connection between neural network weight identification and tensor product decomposition identification. In the case of the shallowest feed-forward neural network, second-order differentiation and tensors of order two (i.e., matrices) suffice as we prove in this paper. We use two sampling schemes to perform approximate differentiation—active sampling, where the sampling points are universal, actively and randomly designed, and passive sampling, where sampling points were preselected at random from a distribution with known density. Based on multiple gathered approximated first- and second-order differentials, our general approximation strategy is developed as a sequence of algorithms to perform individual sub-tasks. We first perform an active subspace search by approximating the span of the weight vectors $a_1,\dots ,a_m$ . Then we use a straightforward substitution, which reduces the dimensionality of the problem from $d$ to $m$ . The core of the construction is then the stable and efficient approximation of weights expressed in terms of rank- $1$ matrices $a_i \otimes a_i$ , realized by formulating their individual identification as a suitable nonlinear program. We prove the successful identification by this program of weight vectors being close to orthonormal and we also show how we can constructively reduce to this case by a whitening procedure, without loss of any generality. We finally discuss the implementation and the performance of the proposed algorithmic pipeline with extensive numerical experiments, which illustrate and confirm the theoretical results.
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基于最少样本的浅层神经网络鲁棒有效识别
我们从少量的查询样本中讨论了脊函数$f(x)=\sum_{i=1}^m g_i(\langle a_i,x\rangle)$在${\mathbb{R}^d$上的和的结构识别和一致逼近,该函数表示浅层前馈神经网络的一般形式。在我们的构造近似中,脊函数的和或其组成的高阶微分,如在更深的神经网络中,在神经网络权重识别和张量积分解识别之间产生了自然的联系。在最浅的前馈神经网络的情况下,正如我们在本文中证明的那样,二阶微分和二阶张量(即矩阵)就足够了。我们使用两种采样方案来执行近似微分——主动采样,其中采样点是通用的、主动和随机设计的;被动采样,其中从已知密度的分布中随机预选采样点。基于多个集合的近似一阶和二阶微分,我们的通用近似策略被开发为执行单个子任务的一系列算法。我们首先通过近似权重向量$a_1,\dots,a_m$的跨度来执行主动子空间搜索。然后我们使用一个直接的替换,它将问题的维数从$d$降低到$m$。该结构的核心是用秩-$1$矩阵$a_i\otimes a_i$表示的权重的稳定有效近似,通过将它们的个体识别公式化为合适的非线性程序来实现。我们证明了通过该程序成功地识别了接近正交的权重向量,我们还展示了如何通过白化程序建设性地减少到这种情况,而不损失任何通用性。最后,我们通过大量的数值实验讨论了所提出的算法流水线的实现和性能,这些实验说明并证实了理论结果。
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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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