Minimum Population Search, an Application to Molecular Docking

Computer modeling of protein-ligand interactions is one of the most important phases in a drug design process. Part of the process involves the optimization of highly multi-modal objective (scoring) functions. This research presents the Minimum Population Search heuristic as an alternative for solving these global unconstrained optimization problems. To determine the effectiveness of Minimum Population Search, a comparison with seven state-of-the-art search heuristics is performed. Being specifically designed for the optimization of large scale multi-modal problems, Minimum Population Search achieves excellent results on all of the tested complexes, especially when the amount of available function evaluations is strongly reduced. A first step is also made toward the design of hybrid algorithms based on the exploratory power of Minimum Population Search. Computational results show that hybridization leads to a further improvement in performance

Optimization of Electricity Markets Participation with Simulated Annealing

The electricity markets environment has changed completely with the introduction of renewable energy sources in the energy distribution systems. With such alterations, preventing the system from collapsing required the development of tools to avoid system failure. In this new market environment competitiveness increases, new and different power producers have emerged, each of them with different characteristics, although some are shared for all of them, such as the unpredictability. In order to battle the unpredictability, the power supplies of this nature are supported by techniques of artificial intelligence that enables them crucial information for participation in the energy markets. In electricity markets any player aims to get the best profit, but is necessary have knowledge of the future with a degree of confidence leading to possible build successful actions. With optimization techniques based on artificial intelligence it is possible to achieve results in considerable time so that producers are able to optimize their profits from the sale of Electricity. Nowadays, there are many optimization problems where there are no that cannot be solved with exact methods, or where deterministic methods are computationally too complex to implement. Heuristic optimization methods have, thus, become a promising solution. In this paper, a simulated annealing based approach is used to solve the portfolio optimization problem for multiple electricity markets participation. A case study based on real electricity markets data is presented, and the results using the proposed approach are compared to those achieved by a previous implementation using particle swarm optimization.This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No 641794info:eu-repo/semantics/publishedVersio

Experimental analysis on the operation of Particle Swarm Optimization

In Particle Swarm Optimization, it has been observed that swarms often stall as opposed to converge. A stall occurs when all of the forward progress that could occur is instead rejected as Failed Exploration. Since the swarms particles are in good regions of the search space with the potential to make more progress, the introduction of perturbations to the pbest positions can lead to significant improvements in the performance of standard Particle Swarm Optimization. The pbest perturbation has been supported by a line search technique that can identify unimodal, globally convex, and non-globally convex search spaces, as well as the approximate size of attraction basin. A deeper analysis of the stall condition reveals that it involves clusters of particles that are performing exploitation, and these clusters are separated by individual particles that are performing exploration. This stall pattern can be identified by a newly developed method that is efficient, accurate, real-time, and search space independent. A more targeted (heterogenous) modification for stall is presented for globally convex search spaces