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QSPcc reduces bottlenecks in computational model simulations

Mathematical models have grown in size and complexity becoming often computationally intractable. In sensitivity analysis and optimization phases, critical for tuning, validation and qualification, these models may be run thousands of times. Scientific programming languages popular for prototyping,...

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Detalles Bibliográficos
Autores principales: Tomasoni, Danilo, Paris, Alessio, Giampiccolo, Stefano, Reali, Federico, Simoni, Giulia, Marchetti, Luca, Kaddi, Chanchala, Neves-Zaph, Susana, Priami, Corrado, Azer, Karim, Lombardo, Rosario
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8410852/
https://www.ncbi.nlm.nih.gov/pubmed/34471226
http://dx.doi.org/10.1038/s42003-021-02553-9
Descripción
Sumario:Mathematical models have grown in size and complexity becoming often computationally intractable. In sensitivity analysis and optimization phases, critical for tuning, validation and qualification, these models may be run thousands of times. Scientific programming languages popular for prototyping, such as MATLAB and R, can be a bottleneck in terms of performance. Here we show a compiler-based approach, designed to be universal at handling engineering and life sciences modeling styles, that automatically translates models into fast C code. At first QSPcc is demonstrated to be crucial in enabling the research on otherwise intractable Quantitative Systems Pharmacology models, such as in rare Lysosomal Storage Disorders. To demonstrate the full value in seamlessly accelerating, or enabling, the R&D efforts in natural sciences, we then benchmark QSPcc against 8 solutions on 24 real-world projects from different scientific fields. With speed-ups of 22000x peak, and 1605x arithmetic mean, our results show consistent superior performances.