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.

QSPcc reduces bottlenecks in computational model simulations / Tomasoni, D.; Paris, A.; Giampiccolo, S.; Reali, F.; Simoni, G.; Marchetti, L.; Kaddi, C.; Neves-Zaph, S.; Priami, C.; Azer, K.; Lombardo, R.. - In: COMMUNICATIONS BIOLOGY. - ISSN 2399-3642. - 4:1(2021), pp. 102201-102210. [10.1038/s42003-021-02553-9]

QSPcc reduces bottlenecks in computational model simulations

Tomasoni D.;Paris A.;Reali F.;Simoni G.;Marchetti L.;Priami C.;Lombardo R.
2021-01-01

Abstract

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.
2021
1
Tomasoni, D.; Paris, A.; Giampiccolo, S.; Reali, F.; Simoni, G.; Marchetti, L.; Kaddi, C.; Neves-Zaph, S.; Priami, C.; Azer, K.; Lombardo, R.
QSPcc reduces bottlenecks in computational model simulations / Tomasoni, D.; Paris, A.; Giampiccolo, S.; Reali, F.; Simoni, G.; Marchetti, L.; Kaddi, C.; Neves-Zaph, S.; Priami, C.; Azer, K.; Lombardo, R.. - In: COMMUNICATIONS BIOLOGY. - ISSN 2399-3642. - 4:1(2021), pp. 102201-102210. [10.1038/s42003-021-02553-9]
File in questo prodotto:
File Dimensione Formato  
TomasoniEtAl_QSPcc_s42003-021-02553-9.pdf

accesso aperto

Tipologia: Versione editoriale (Publisher’s layout)
Licenza: Creative commons
Dimensione 1.42 MB
Formato Adobe PDF
1.42 MB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11572/326004
Citazioni
  • ???jsp.display-item.citation.pmc??? 1
  • Scopus 1
  • ???jsp.display-item.citation.isi??? 1
social impact