基于样条的多元域函数数据方法

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-07-30 DOI:10.1186/s13362-024-00153-w
Rani Basna, Hiba Nassar, Krzysztof Podgórski
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引用次数: 0

摘要

函数数据分析通常分两步进行:首先,对离散观测数据进行函数表示,然后将函数方法应用于如此表示的数据。函数表示法的初始选择可能会对第二阶段的分析产生重大影响,最近的研究表明,数据驱动的样条曲线基础优于预定义的函数表示法刚性选择。该方法通过使用简单的机器学习算法有效地放置节点来选择初始函数基础。当数据定义在比一维更高的域上时(例如图像),节点选择方法并不能直接应用。原因在于,在更高维度中,方便且数值效率高的样条线空间使用张量基,而张量基要求节点位于网格上。这从根本上限制了灵活的节点位置,而节点位置是该方法的基础。本研究的目标有两个方面:首先,通过将不规则节点选择编码到基于张量的花键空间拓扑中,提出规避这一问题的改进方法;其次,将该方法应用于利用节点选择的函数数据分类问题工作流程。在一个基准数据集上初步检验了该方法的性能,结果表明其性能与之前的方法相当,甚至更好。
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Spline-based methods for functional data on multivariate domains
Functional data analysis is typically performed in two steps: first, functionally representing discrete observations, and then applying functional methods to the so-represented data. The initial choice of a functional representation may have a significant impact on the second phase of the analysis, as shown in recent research, where data-driven spline bases outperformed the predefined rigid choice of functional representation. The method chooses an initial functional basis by an efficient placement of the knots using a simple machine-learning algorithm. The knot selection approach does not apply directly when the data are defined on domains of a higher dimension than one such as, for example, images. The reason is that in higher dimensions the convenient and numerically efficient spline spaces use tensor bases that require knots located on a lattice. This fundamentally limits flexible knot placement which is fundamental for the approach. The goal of this research is two-fold: first, to propose modified approaches that circumvent the issue by coding the irregular knot selection into the topology of the spaces of tensor-based splines; second, to apply the approach to a classification problem workflow for functional data that utilizes knot selection. The performance is preliminarily accessed on a benchmark dataset and shown to be comparable to or better than the previous methods.
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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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