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Sims, Amy C.

Publications and source records attributed to Sims, Amy C..

Computationally efficient Bayesian estimation of graphical networks for omics data

Graphical networks are useful, widely-used modeling approaches to represent complex biological processes with biological measurements generated by platforms such as mass spectrometry. Bayesian analyses of graphical networks for omics data have several advantages over their frequentist counterparts, such as the inclusion of prior knowledge in the estimation of models. However, Bayesian approaches to date have only been feasible for data with a couple hundred biomolecules due to prohibitive computational time, but omics data often contains tens of thousands of biomolecules. Here, we present and illustrate a more computationally efficient approach named BPlane (Bayesian PseudoLikelihood-based Algorithm for Network Estimation) to extend Bayesian modeling capabilities for larger-sized datasets, such as most untargeted proteomics data. Via simulation, we demonstrate that BPlane produces substantial computational savings over a current state-of-the-art Bayesian algorithm while maintaining competitive edge detection accuracy. On a SARS-CoV2 proteomics data with 7000 proteins, the competing algorithm takes three times as long to complete the first iteration as BPlane takes to converge after over 100 iterations.

EM algorithm

Imprinted Micelle Integration into a Commercial Platform (Progress Report)

PNNL has successfully integrated a commercial aerosol detector and the imprinted micelle technology. The integrated systems have been shown to have a limit of detection between 33-47 particles with several options for data analysis presented that vary on computational requirements. It is possible to integrate these systems and receive response data on the second time scale. While more work is needed, these technologies are compatible, which opens up a large field of air sampling looking for specific contaminates.

36 MATERIALS SCIENCE