Data-driven assessment of optimal spatiotemporal resolutions for information extraction in noisy time series data.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Domiziano Doria, Simone Martino, Matteo Becchi, Giovanni M Pavan
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引用次数: 0

Abstract

In general, comprehension of any type of complex system depends on the resolution used to examine the phenomena occurring within it. However, identifying a priori, for example, the best time frequencies/scales to study a certain system over time, or the spatial distances at which correlations, symmetries, and fluctuations are most often non-trivial. Here, we describe an unsupervised approach that, starting solely from the data of a system, allows learning the characteristic length scales of the dominant key events/processes and the optimal spatiotemporal resolutions to characterize them. We tested this approach on time series data obtained from the simulation or experimental trajectories of various example many-body complex systems ranging from the atomic to the macroscopic scale and having diverse internal dynamic complexities. Our method automatically analyzes the system data by analyzing correlations at all relevant inter-particle distances and at all possible inter-frame intervals in which their time series can be subdivided, namely, at all space and time resolutions. The optimal spatiotemporal resolution for studying a certain system thus maximizes information extraction and classification from the system's data, which we prove to be related to the characteristic spatiotemporal length scales of the local/collective physical events dominating it. This approach is broadly applicable and can be used to optimize the study of different types of data (static distributions, time series, or signals). The concept of "optimal resolution" has a general character and provides a robust basis for characterizing any type of system based on its data, as well as to guide data analysis in general.

噪声时间序列数据中信息提取的最佳时空分辨率的数据驱动评估。
一般来说,对任何类型的复杂系统的理解取决于用于检查其中发生的现象的分辨率。然而,确定一个先验的,例如,最佳的时间频率/尺度来研究一个特定的系统随着时间的推移,或空间距离上的相关性,对称性和波动是最重要的。在这里,我们描述了一种无监督的方法,该方法仅从系统的数据开始,允许学习主要关键事件/过程的特征长度尺度以及表征它们的最佳时空分辨率。我们在从原子尺度到宏观尺度的各种示例多体复杂系统的模拟或实验轨迹中获得的时间序列数据上测试了这种方法,并且具有不同的内部动态复杂性。我们的方法通过分析所有相关的粒子间距离和所有可能的帧间间隔(即所有空间和时间分辨率)的相关性来自动分析系统数据。因此,研究某个系统的最佳时空分辨率可以最大限度地从系统数据中提取和分类信息,我们证明这与主导系统的局部/集体物理事件的特征时空长度尺度有关。这种方法广泛适用,可用于优化对不同类型数据(静态分布、时间序列或信号)的研究。“最佳分辨率”的概念具有一般特征,并为基于其数据表征任何类型的系统提供了坚实的基础,并指导一般的数据分析。
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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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