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Shape Analysis of Functional Data With Elastic Partial Matching.

ABSTRACT: Elastic Riemannian metrics have been used successfully for statistical treatments of functional and curve shape data. However, this usage suffers from a significant restriction: the function boundaries are assumed to be fixed and matched. In practice, functional data often comes with unmatched boundaries. It happens, for example, in dynamical systems with variable evolution rates, such as COVID-19 infection rate curves associated with different geographical regions. Here, we develop a Riemannian framework that allows for partial matching, comparing, and clustering of functions with phase variability and uncertain boundaries. We extend past work by (1) Defining a new diffeomorphism group G over the positive reals that is the semidirect product of a time-warping group and a time-scaling group; (2) Introducing a metric that is invariant to the action of G; (3) Imposing a Riemannian Lie group structure on G to allow for an efficient gradient-based optimization for elastic partial matching; and (4) Presenting a modification that, while losing the metric property, allows one to control the amount of boundary disparity in the registration. We illustrate this framework by registering and clustering shapes of COVID-19 rate curves, identifying basic patterns, minimizing mismatch errors, and reducing variability within clusters compared to previous methods.

SUBMITTER: Bryner D

PROVIDER: S-EPMC9714315 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature

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Shape Analysis of Functional Data With Elastic Partial Matching.

Bryner Darshan D Srivastava Anuj A

IEEE transactions on pattern analysis and machine intelligence 20221107 12

Elastic Riemannian metrics have been used successfully for statistical treatments of functional and curve shape data. However, this usage suffers from a significant restriction: the function boundaries are assumed to be fixed and matched. In practice, functional data often comes with unmatched boundaries. It happens, for example, in dynamical systems with variable evolution rates, such as COVID-19 infection rate curves associated with different geographical regions. Here, we develop a Riemannian ...[more]

PMID: 34818189

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Project description:BackgroundProtein structure comparison play important role in in silico functional prediction of a new protein. It is also used for understanding the evolutionary relationships among proteins. A variety of methods have been proposed in literature for comparing protein structures but they have their own limitations in terms of accuracy and complexity with respect to computational time and space. There is a need to improve the computational complexity in comparison/alignment of proteins through incorporation of important biological and structural properties in the existing techniques.ResultsAn efficient algorithm has been developed for comparing protein structures using elastic shape analysis in which the sequence of 3D coordinates atoms of protein structures supplemented by additional auxiliary information from side-chain properties are incorporated. The protein structure is represented by a special function called square-root velocity function. Furthermore, singular value decomposition and dynamic programming have been employed for optimal rotation and optimal matching of the proteins, respectively. Also, geodesic distance has been calculated and used as the dissimilarity score between two protein structures. The performance of the developed algorithm is tested and found to be more efficient, i.e., running time reduced by 80-90 % without compromising accuracy of comparison when compared with the existing methods. Source codes for different functions have been developed in R. Also, user friendly web-based application called ProtSComp has been developed using above algorithm for comparing protein 3D structures and is accessible free.ConclusionsThe methodology and algorithm developed in this study is taking considerably less computational time without loss of accuracy (Table 2). The proposed algorithm is considering different criteria of representing protein structures using 3D coordinates of atoms and inclusion of residue wise molecular properties as auxiliary information.

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Shape Analysis of Functional Data With Elastic Partial Matching.

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Shape Analysis of Functional Data With Elastic Partial Matching.

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