학술논문

QSPcc reduces bottlenecks in computational model simulations.
Document Type
Article
Source
Communications Biology. 9/1/2021, Vol. 4 Issue 1, p1-10. 10p.
Subject
*MATHEMATICAL models
*MATHEMATICAL optimization
*PROGRAMMING languages
*LYSOSOMAL storage diseases
*ARITHMETIC mean
Language
ISSN
2399-3642
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. Lombardo and colleagues present QSPcc, a computational code compiler designed to convert code from popular scientific programming languages, such as MATLAB or R, into fast-running C code. This reduces the computational load required for complex modelling approaches and reduces user investment learning additional complex languages. [ABSTRACT FROM AUTHOR]