Browsing by Subject "symbolic regression"

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Access status: Open Access ,
Computational intelligence for predicting biological effects of drug absorption in lungs
(Wydawnictwa AGH, 2019) Pacławski, Adam; Szlęk, Jakub; Mendyk, Aleksander
Recently, the lungs have been extensively examined as a route for delivering drugs (active pharmaceutical ingredients, APIs) into the bloodstream, this is mainly due to the possibility of the noninvasive administration of macromolecules such as proteins and peptides. The absorption mechanisms of chemical compounds in the lungs are still not fully understood, which makes pulmonary formulation composition development challenging. This manuscript presents the development of an empirical model capable of predicting the excipients’ influence on the absorption of drugs in the lungs. Due to the complexity of the problem and the not-fully-understood mechanisms of absorption, computational intelligence tools were applied. As a result, a mathematical formula was established and analyzed. The normalized root-mean-squared error (NRMSE) and $R^2$ of the model were 4.57%, and 0.83, respectively. The presented approach is beneficial both practically by developing an in silico predictive model and theoretically by gaining knowledge of the influence of APIs and excipient structure on absorption in the lungs.
Access status: Open Access ,
Scaling evolutionary programming with the use of apache spark
(Wydawnictwa AGH, 2016) Funika, Włodzimierz; Koperek, Paweł
Organizations across the globe gather more and more data, encouraged by easy-to-use and cheap cloud storage services. Large datasets require new approaches to analysis and processing, which include methods based on machine learning. In particular, symbolic regression can provide many useful insights. Unfortunately, due to high resource requirements, use of this method for large-scale dataset analysis might be unfeasible. In this paper, we analyze a bottleneck in the open-source implementation of this method we call hubert. We identify that the evaluation of individuals is the most costly operation. As a solution to this problem, we propose a new evaluation service based on the Apache Spark framework, which attempts to speed up computations by executing them in a distributed manner on a cluster of machines. We analyze the performance of the service by comparing the evaluation execution time of a number of samples with the use of both implementations. Finally, we draw conclusions and outline plans for further research.