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Improving landscape inference by integrating heterogeneous data in the inverse Ising problem.

ABSTRACT: The inverse Ising problem and its generalizations to Potts and continuous spin models have recently attracted much attention thanks to their successful applications in the statistical modeling of biological data. In the standard setting, the parameters of an Ising model (couplings and fields) are inferred using a sample of equilibrium configurations drawn from the Boltzmann distribution. However, in the context of biological applications, quantitative information for a limited number of microscopic spins configurations has recently become available. In this paper, we extend the usual setting of the inverse Ising model by developing an integrative approach combining the equilibrium sample with (possibly noisy) measurements of the energy performed for a number of arbitrary configurations. Using simulated data, we show that our integrative approach outperforms standard inference based only on the equilibrium sample or the energy measurements, including error correction of noisy energy measurements. As a biological proof-of-concept application, we show that mutational fitness landscapes in proteins can be better described when combining evolutionary sequence data with complementary structural information about mutant sequences.

SUBMITTER: Barrat-Charlaix P

PROVIDER: S-EPMC5122905 | biostudies-literature | 2016 Nov

REPOSITORIES: biostudies-literature

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Improving landscape inference by integrating heterogeneous data in the inverse Ising problem.

Barrat-Charlaix Pierre P Figliuzzi Matteo M Weigt Martin M

Scientific reports 20161125

The inverse Ising problem and its generalizations to Potts and continuous spin models have recently attracted much attention thanks to their successful applications in the statistical modeling of biological data. In the standard setting, the parameters of an Ising model (couplings and fields) are inferred using a sample of equilibrium configurations drawn from the Boltzmann distribution. However, in the context of biological applications, quantitative information for a limited number of microsco ...[more]

PMID: 27886273

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Project description:MotivationIntegrating multimodal data represents an effective approach to predicting biomedical characteristics, such as protein functions and disease outcomes. However, existing data integration approaches do not sufficiently address the heterogeneous semantics of multimodal data. In particular, early and intermediate approaches that rely on a uniform integrated representation reinforce the consensus among the modalities but may lose exclusive local information. The alternative late integration approach that can address this challenge has not been systematically studied for biomedical problems.ResultsWe propose Ensemble Integration (EI) as a novel systematic implementation of the late integration approach. EI infers local predictive models from the individual data modalities using appropriate algorithms and uses heterogeneous ensemble algorithms to integrate these local models into a global predictive model. We also propose a novel interpretation method for EI models. We tested EI on the problems of predicting protein function from multimodal STRING data and mortality due to coronavirus disease 2019 (COVID-19) from multimodal data in electronic health records. We found that EI accomplished its goal of producing significantly more accurate predictions than each individual modality. It also performed better than several established early integration methods for each of these problems. The interpretation of a representative EI model for COVID-19 mortality prediction identified several disease-relevant features, such as laboratory test (blood urea nitrogen and calcium) and vital sign measurements (minimum oxygen saturation) and demographics (age). These results demonstrated the effectiveness of the EI framework for biomedical data integration and predictive modeling.Availability and implementationCode and data are available at https://github.com/GauravPandeyLab/ensemble_integration.Supplementary informationSupplementary data are available at Bioinformatics Advances online.

Dataset Information

Improving landscape inference by integrating heterogeneous data in the inverse Ising problem.

Publications

Improving landscape inference by integrating heterogeneous data in the inverse Ising problem.

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