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Miguel Ponce-de-Leon

Publications and source records attributed to Miguel Ponce-de-Leon.

2 recordsLinked to original sources

Parallel Model Exploration for Tumor Treatment Simulations

Computational systems and methods are often being used in biological research, including the understanding of cancer and the development of treatments. Simulations of tumor growth and its response to different drugs are of particular importance, but also challenging complexity. The main challenges are first to calibrate the simulators so as to reproduce real-world cases, and second, to search for specific values of the parameter space concerning effective drug treatments. In this work, we combine a multi-scale simulator for tumor cell growth and a Genetic Algorithm (GA) as a heuristic search method for finding good parameter configurations in reasonable time. The two modules are integrated into a single workflow that can be executed in parallel on high performance computing infrastructures. In effect, the GA is used to calibrate the simulator, and then to explore different drug delivery schemes. Among these schemes, we aim to find those that minimize tumor cell size and the probability of emergence of drug resistant cells in the future. Experimental results illustrate the effectiveness and computational efficiency of the approach.

q-bio.QM

Algorithmic complexity in computational biology: basics, challenges and limitations

Computational problems can be classified according to their algorithmic complexity, which is defined based on how the resources needed to solve the problem, e.g. the execution time, scale with the problem size. Many problems in computational biology are computationally infeasible in the sense that the exhaustive search for the optimal solution is prohibitive in practical terms. As a consequence, these problems are tackled through heuristics and approximations aiming to overcome the exceeding computational requirements at the cost of providing suboptimal solutions. The importance of defining the computational complexity of computational biology algorithms is a topic rarely surveyed for broad audiences of bioinformaticians and users of bioinformatics tools. However, recognizing the underlying complexity of any algorithm is essential for understanding their potential and limitations. Thus, the aim of this review is to survey the main algorithmic solutions to intractable problems in computational biology, highlighting the importance of High-Performance Computing in this area.

cs.CC