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Full-Text Articles in Computer Sciences
Automated Parsing Of Flexible Molecular Systems Using Principal Component Analysis And K-Means Clustering Techniques, Matthew J. Nwerem
Automated Parsing Of Flexible Molecular Systems Using Principal Component Analysis And K-Means Clustering Techniques, Matthew J. Nwerem
Computational and Data Sciences (MS) Theses
Computational investigation of molecular structures and reactions of biological and pharmaceutical interests remains a grand scientific challenge due to the size and conformational flexibility of these systems. The work requires parsing and analyzing thousands of conformations in each molecular state for meaningful chemical information and subjecting the ensemble to costly quantum chemical calculations. The current status quo typically involves a manual process where the investigator must look at each conformation, separating each into structural families. This process is time-intensive and tedious, making this process infeasible in some cases, and limiting the ability of theoreticians to study these systems. However, the …
A Quantitative Validation Of Multi-Modal Image Fusion And Segmentation For Object Detection And Tracking, Nicholas Lahaye, Michael J. Garay, Brian D. Bue, Hesham El-Askary, Erik Linstead
A Quantitative Validation Of Multi-Modal Image Fusion And Segmentation For Object Detection And Tracking, Nicholas Lahaye, Michael J. Garay, Brian D. Bue, Hesham El-Askary, Erik Linstead
Mathematics, Physics, and Computer Science Faculty Articles and Research
In previous works, we have shown the efficacy of using Deep Belief Networks, paired with clustering, to identify distinct classes of objects within remotely sensed data via cluster analysis and qualitative analysis of the output data in comparison with reference data. In this paper, we quantitatively validate the methodology against datasets currently being generated and used within the remote sensing community, as well as show the capabilities and benefits of the data fusion methodologies used. The experiments run take the output of our unsupervised fusion and segmentation methodology and map them to various labeled datasets at different levels of global …