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Accelerated Simulation of Large Reaction Systems Using a Constraint-Based Algorithm

Authors: Paulo E. P. Burke; Luciano da F. Costa;

Accelerated Simulation of Large Reaction Systems Using a Constraint-Based Algorithm

Abstract

AbstractSimulation of reaction systems has been employed along decades for a better understanding of such systems. However, the ever-growing gathering of biological data implied in larger and more complex models that are computationally challenging for current discrete-stochastic simulation methods. In this work, we propose a constraint-based algorithm to simulate such reaction systems, called the Constraint-Based Simulation Algorithm (CBSA). The main advantage of the proposed method is that it is intrinsically parallelizable, thus being able to be implemented in GPGPU architectures. We show through examples that our method can provide valid solutions when compared to the well-known Stochastic Simulation Algorithm (SSA). An analysis of computational efficiency showed that the CBSA tend to outperform other considered methods when dealing with a high number of molecules and reaction channels. Therefore, we believe that the proposed method constitutes an interesting alternative when simulating large chemical reaction systems.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
hybrid