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Register a new userMulti-level stochastic refinement for complex time series and fields: A Data-Driven Approach
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Spatio-temporally extended nonlinear systems often exhibit a remarkable complexity in space and time. In many cases, extensive datasets of such systems are difficult to obtain, yet needed for a range of applications. Here, we present a method to generate synthetic time series or fields that reproduce statistical multi-scale features of complex systems. The method is based on a hierarchical refinement employing transition probability density functions (PDFs) from one scale to another. We address the case in which such PDFs can be obtained from experimental measurements or simulations and then used to generate arbitrarily large synthetic datasets. The validity of our approach is demonstrated at the example of an experimental dataset of high Reynolds number turbulence.
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Recent advances in the synthesis of polar molecular materials have produced practical alternatives to ferroelectric ceramics, opening up exciting new avenues for their incorporation into modern electronic devices. However, in order to realize the full potential of polar polymer and molecular crystals for modern technological applications, it is paramount to assemble and evaluate all the available data for such compounds, identifying descriptors that could be associated with an emergence of ferroelectricity. In this work, we utilized data-driven approaches to judiciously shortlist candidate materials from a wide chemical space that could possess ferroelectric functionalities. An importance-sampling based method was utilized to address the challenge of having a limited amount of available data on already known organic ferroelectrics. Sets of molecular- and crystal-level descriptors were combined with a Random Forest Regression algorithm in order to predict spontaneous polarization of the shortlisted compounds with an average error of ~20%.
Modern biomedical applications often involve time-series data, from high-throughput phenotyping of model organisms, through to individual disease diagnosis and treatment using biomedical data streams. Data and tools for time-series analysis are developed and applied across the sciences and in industry, but meaningful cross-disciplinary interactions are limited by the challenge of identifying fruitful connections. Here we introduce the web platform, CompEngine, a self-organizing, living library of time-series data that lowers the barrier to forming meaningful interdisciplinary connections between time series. Using a canonical feature-based representation, CompEngine places all time series in a common space, regardless of their origin, allowing users to upload their data and immediately explore interdisciplinary connections to other data with similar properties, and be alerted when similar data is uploaded in the future. In contrast to conventional databases, which are organized by assigned metadata, CompEngine incentivizes data sharing by automatically connecting experimental and theoretical scientists across disciplines based on the empirical structure of their data. CompEngines growing library of interdisciplinary time-series data also facilitates comprehensively characterization of algorithm performance across diverse types of data, and can be used to empirically motivate the development of new time-series analysis algorithms.
In this paper we present the concept of description of random processes in complex systems with the discrete time. It involves the description of kinetics of discrete processes by means of the chain of finite-difference non-Markov equations for time correlation functions (TCF). We have introduced the dynamic (time dependent) information Shannon entropy $S_i(t)$ where i=0,1,2,3,... as an information measure of stochastic dynamics of time correlation $(i=0)$ and time memory (i=1,2,3,...). The set of functions $S_i(t)$ constitute the quantitative measure of time correlation disorder $(i=0)$ and time memory disorder (i=1,2,3,...) in complex system. Harnessing the infinite set of orthogonal dynamic random variables on a basis of Gram-Shmidt orthogonalization procedure tends to creation of infinite chain of finite-difference non-Markov kinetic equations for discrete TCF and memory function.The solution of the equations above thereof brings to the recurrence relations between the TCF and MF of senior and junior orders. The results obtained offer considerable scope for attack on stochastic dynamics of discrete random processes in a complex systems. Application of this technique on the analysis of stochastic dynamics of RR-intervals from human ECGs shows convincing evidence for a non-Markovian phenomemena associated with a peculiarities in short and long-range scaling. This method may be of use in distinguishing healthy from pathologic data sets based in differences in these non-Markovian properties.
In applications of nonlinear and complex dynamical systems, a common situation is that the system can be measured but its structure and the detailed rules of dynamical evolution are unknown. The inverse problem is to determine the system equations and structure based solely on measured time series. Recently, methods based on sparse optimization have been developed. For example, the principle of exploiting sparse optimization such as compressive sensing to find the equations of nonlinear dynamical systems from data was articulated in 2011 by the Nonlinear Dynamics Group at Arizona State University. This article presents a brief review of the recent progress in this area. The basic idea is to expand the equations governing the dynamical evolution of the system into a power series or a Fourier series of a finite number of terms and then to determine the vector of the expansion coefficients based solely on data through sparse optimization. Examples discussed here include discovering the equations of stationary or nonstationary chaotic systems to enable prediction of dynamical events such as critical transition and system collapse, inferring the full topology of complex networks of dynamical oscillators and social networks hosting evolutionary game dynamics, and identifying partial differential equations for spatiotemporal dynamical systems. Situations where sparse optimization is effective and those in which the method fails are discussed. Comparisons with the traditional method of delay coordinate embedding in nonlinear time series analysis are given and the recent development of model-free, data driven prediction framework based on machine learning is briefly introduced.
We propose a novel data-driven approach for analyzing synchrotron Laue X-ray microdiffraction scans based on machine learning algorithms. The basic architecture and major components of the method are formulated mathematically. We demonstrate it through typical examples including polycrystalline BaTiO$_3$, multiphase transforming alloys and finely twinned martensite. The computational pipeline is implemented for beamline 12.3.2 at the Advanced Light Source, Lawrence Berkeley National Lab. The conventional analytical pathway for X-ray diffraction scans is based on a slow pattern by pattern crystal indexing process. This work provides a new way for analyzing X-ray diffraction 2D patterns, independent of the indexing process, and motivates further studies of X-ray diffraction patterns from the machine learning prospective for the development of suitable feature extraction, clustering and labeling algorithms.
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