One can generate trajectories to simulate a system of chemical reactions using either Gillespie's direct method or Gibson and Bruck's next reaction method. Because one usually needs many trajectories to understand the dynamics of a system, performance is important. In this paper, we present new formulations of these methods that improve the computational complexity of the algorithms. We present optimized implementations, available from http://cain.sourceforge.net/, that offer better performance than previous work. There is no single method that is best for all problems. Simple formulations often work best for systems with a small number of reactions, while some sophisticated methods offer the best performance for large problems and scale well asymptotically. We investigate the performance of each formulation on simple biological systems using a wide range of problem sizes. We also consider the numerical accuracy of the direct and the next reaction method. We have found that special precautions must be taken in order to ensure that randomness is not discarded during the course of a simulation.
Cloud services provide the ability to provision virtual networked infrastructure on demand over the Internet. The rapid growth of these virtually provisioned cloud networks has increased the demand for automated reasoning tools capable of identifying misconfigurations or security vulnerabilities. This type of automation gives customers the assurance they need to deploy sensitive workloads. It can also reduce the cost and time-to-market for regulated customers looking to establish compliance certification for cloud-based applications. In this industrial case-study, we describe a new network reachability reasoning tool, called Tiros, that uses off-the-shelf automated theorem proving tools to fill this need. Tiros is the foundation of a recently introduced network security analysis feature in the Amazon Inspector service now available to millions of customers building applications in the cloud. Tiros is also used within Amazon Web Services (AWS) to automate the checking of compliance certification and adherence to security invariants for many AWS services that build on existing AWS networking features.
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