Towards an evolvable cancer treatment simulator

© 2019 Elsevier B.V. The use of high-fidelity computational simulations promises to enable high-throughput hypothesis testing and optimisation of cancer therapies. However, increasing realism comes at the cost of increasing computational requirements. This article explores the use of surrogate-assisted evolutionary algorithms to optimise the targeted delivery of a therapeutic compound to cancerous tumour cells with the multicellular simulator, PhysiCell. The use of both Gaussian process models and multi-layer perceptron neural network surrogate models are investigated. We find that evolutionary algorithms are able to effectively explore the parameter space of biophysical properties within the agent-based simulations, minimising the resulting number of cancerous cells after a period of simulated treatment. Both model-assisted algorithms are found to outperform a standard evolutionary algorithm, demonstrating their ability to perform a more effective search within the very small evaluation budget. This represents the first use of efficient evolutionary algorithms within a high-throughput multicellular computing approach to find therapeutic design optima that maximise tumour regression

Novelty search employed into the development of cancer treatment simulations

Conventional optimization methodologies may be hindered when the automated search is stuck into local optima because of a deceptive objective function landscape. Consequently, open ended search methodologies, such as novelty search, have been proposed to tackle this issue. Overlooking the objective, while putting pressure into discovering novel solutions may lead to better solutions in practical problems. Novelty search was employed here to optimize the simulated design of a targeted drug delivery system for tumor treatment under the PhysiCell simulator. A hybrid objective equation was used containing both the actual objective of an effective tumor treatment and the novelty measure of the possible solutions. Different weights of the two components of the hybrid equation were investigated to unveil the significance of each one