Machine Learning Clifford Invariants of ADE Coxeter Elements

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-05-04 DOI:10.1007/s00006-024-01325-y
Siqi Chen, Pierre-Philippe Dechant, Yang-Hui He, Elli Heyes, Edward Hirst, Dmitrii Riabchenko
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Abstract

There has been recent interest in novel Clifford geometric invariants of linear transformations. This motivates the investigation of such invariants for a certain type of geometric transformation of interest in the context of root systems, reflection groups, Lie groups and Lie algebras: the Coxeter transformations. We perform exhaustive calculations of all Coxeter transformations for \(A_8\), \(D_8\) and \(E_8\) for a choice of basis of simple roots and compute their invariants, using high-performance computing. This computational algebra paradigm generates a dataset that can then be mined using techniques from data science such as supervised and unsupervised machine learning. In this paper we focus on neural network classification and principal component analysis. Since the output—the invariants—is fully determined by the choice of simple roots and the permutation order of the corresponding reflections in the Coxeter element, we expect huge degeneracy in the mapping. This provides the perfect setup for machine learning, and indeed we see that the datasets can be machine learned to very high accuracy. This paper is a pump-priming study in experimental mathematics using Clifford algebras, showing that such Clifford algebraic datasets are amenable to machine learning, and shedding light on relationships between these novel and other well-known geometric invariants and also giving rise to analytic results.

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ADE Coxeter 元素的机器学习克利福德不变式
最近,人们对线性变换的新型克利福德几何不变式产生了兴趣。这就促使我们研究根系统、反射群、李群和李代数背景下的某类几何变换的这种不变式:Coxeter 变换。我们利用高性能计算,对选择单根的基础上的\(A_8\)、\(D_8\)和\(E_8\)的所有考斯特变换进行穷举计算,并计算它们的不变式。这种计算代数范式生成的数据集可以使用数据科学的技术进行挖掘,如监督和无监督机器学习。在本文中,我们将重点关注神经网络分类和主成分分析。由于输出--不变式--完全由单根的选择和考克赛特元素中相应反射的置换顺序决定,我们预计映射中存在巨大的退化。这为机器学习提供了完美的条件,而且我们确实看到,数据集可以通过机器学习达到非常高的准确度。本文是利用克利福德代数进行实验数学的泵引式研究,表明这种克利福德代数数据集可用于机器学习,并阐明了这些新颖的几何不变式与其他众所周知的几何不变式之间的关系,还给出了分析结果。
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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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