Nature-inspired Enzymatic Cascades To Build Valuable Compounds.

Biocatalysis currently is focusing on enzymatic and multi-enzymatic cascade processes instead of single steps imbedded into chemical pathways. Alongside this scientific revolution, this review provides an overview on multi-enzymatic cascades that are responsible for the biosynthesis of some terpenes, alkaloids and polyethers, which are important classes of natural products. Herein, we illustrate the development of studies inspired by multi- and chemo-enzymatic approaches to build the core moieties of polyethers, polypeptide alkaloids, piperidines and pyrrolidines promoted by the joint action of oxidoreductases, hydrolases, cyclases, transaminases and imine reductases.

Nature-Inspired Framework for Hyperspectral Band Selection

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A nature-inspired approach to speed up optimum-path forest clustering and its application to intrusion detection in computer networks

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A New Multi-Objective Approach for Molecular Docking Based on RMSD and Binding Energy

Ligand-protein docking is an optimization problem based on predicting the position of a ligand with the lowest binding energy in the active site of the receptor. Molecular docking problems are traditionally tackled with single-objective, as well as with multi-objective approaches, to minimize the binding energy. In this paper, we propose a novel multi-objective formulation that considers: the Root Mean Square Deviation (RMSD) difference in the coordinates of ligands and the binding (intermolecular) energy, as two objectives to evaluate the quality of the ligand-protein interactions. To determine the kind of Pareto front approximations that can be obtained, we have selected a set of representative multi-objective algorithms such as NSGA-II, SMPSO, GDE3, and MOEA/D. Their performances have been assessed by applying two main quality indicators intended to measure convergence and diversity of the fronts. In addition, a comparison with LGA, a reference single-objective evolutionary algorithm for molecular docking (AutoDock) is carried out. In general, SMPSO shows the best overall results in terms of energy and RMSD (value lower than 2A for successful docking results). This new multi-objective approach shows an improvement over the ligand-protein docking predictions that could be promising in in silico docking studies to select new anticancer compounds for therapeutic targets that are multidrug resistant.

Bio-inspired carbon electro-catalysis for the oxygen reduction reaction

We report the synthesis, characterisation and catalytic performance of two nature-inspired biomass-derived electro-catalysts for the oxygen reduction reaction in fuel cells. The catalysts were prepared via pyrolysis of a real food waste (lobster shells) or by mimicking the composition of lobster shells using chitin and CaCO3 particles followed by acid washing. The simplified model of artificial lobster was prepared for better reproducibility. The calcium carbonate in both samples acts as a pore agent, creating increased surface area and pore volume, though considerably higher in artificial lobster samples due to the better homogeneity of the components. Various characterisation techniques revealed the presence of a considerable amount of hydroxyapatite left in the real lobster samples after acid washing and a low content of carbon (23%), nitrogen and sulphur (<1%), limiting the surface area to 23 m2/g, and consequently resulting in rather poor catalytic activity. However, artificial lobster samples, with a surface area of ≈200 m2/g and a nitrogen doping of 2%, showed a promising onset potential, very similar to a commercially available platinum catalyst, with better methanol tolerance, though with lower stability in long time testing over 10,000 s.

Self-optimization for dynamic scheduling in manufacturing systems

Scheduling is a critical function that is present throughout many industries and applications. A great need exists for developing scheduling approaches that can be applied to a number of different scheduling problems with significant impact on performance of business organizations. A challenge is emerging in the design of scheduling support systems for manufacturing environments where dynamic adaptation and optimization become increasingly important. In this paper, we describe a Self-Optimizing Mechanism for Scheduling System through Nature Inspired Optimization Techniques (NIT).

Negotiation mechanism for self-organized scheduling system

This paper presents a negotiation mechanism for Dynamic Scheduling based on Swarm Intelligence (SI). Under the new negotiation mechanism, agents must compete to obtain a global schedule. SI is the general term for several computational techniques which use ideas and get inspiration from the social behaviors of insects and other animals. This work is concerned with negotiation, the process through which multiple selfinterested agents can reach agreement over the exchange of operations on competitive resources.

Self-optimizing through CBR learning

In this paper, we foresee the use of Multi-Agent Systems for supporting dynamic and distributed scheduling in Manufacturing Systems. We also envisage the use of Autonomic properties in order to reduce the complexity of managing systems and human interference. By combining Multi-Agent Systems, Autonomic Computing, and Nature Inspired Techniques we propose an approach for the resolution of dynamic scheduling problem, with Case-based Reasoning Learning capabilities. The objective is to permit a system to be able to automatically adopt/select a Meta-heuristic and respective parameterization considering scheduling characteristics. From the comparison of the obtained results with previous results, we conclude about the benefits of its use.

Autonomic computing for scheduling in manufacturing systems

We describe a novel approach to scheduling resolution by combining Autonomic Computing (AC), Multi-Agent Systems (MAS) and Nature Inspired Optimization Techniques (NIT). Autonomic Computing has emerged as paradigm aiming at embedding applications with a management structure similar to a central nervous system. A natural Autonomic Computing evolution in relation to Current Computing is to provide systems with Self-Managing ability with a minimum human interference. In this paper we envisage the use of Multi-Agent Systems paradigm for supporting dynamic and distributed scheduling in Manufacturing Systems with Autonomic properties, in order to reduce the complexity of managing systems and human interference. Additionally, we consider the resolution of realistic problems. The scheduling of a Cutting and Treatment Stainless Steel Sheet Line will be evaluated. Results show that proposed approach has advantages when compared with other scheduling systems.

Scheduling a cutting and treatment stainless steel sheet line with self-management capabilities

With advancement in computer science and information technology, computing systems are becoming increasingly more complex with an increasing number of heterogeneous components. They are thus becoming more difficult to monitor, manage, and maintain. This process has been well known as labor intensive and error prone. In addition, traditional approaches for system management are difficult to keep up with the rapidly changing environments. There is a need for automatic and efficient approaches to monitor and manage complex computing systems. In this paper, we propose an innovative framework for scheduling system management by combining Autonomic Computing (AC) paradigm, Multi-Agent Systems (MAS) and Nature Inspired Optimization Techniques (NIT). Additionally, we consider the resolution of realistic problems. The scheduling of a Cutting and Treatment Stainless Steel Sheet Line will be evaluated. Results show that proposed approach has advantages when compared with other scheduling systems

Computational models for and from biology : simple gene assembly and reaction systems

The advancement of science and technology makes it clear that no single perspective is any longer sufficient to describe the true nature of any phenomenon. That is why the interdisciplinary research is gaining more attention overtime. An excellent example of this type of research is natural computing which stands on the borderline between biology and computer science. The contribution of research done in natural computing is twofold: on one hand, it sheds light into how nature works and how it processes information and, on the other hand, it provides some guidelines on how to design bio-inspired technologies. The first direction in this thesis focuses on a nature-inspired process called gene assembly in ciliates. The second one studies reaction systems, as a modeling framework with its rationale built upon the biochemical interactions happening within a cell. The process of gene assembly in ciliates has attracted a lot of attention as a research topic in the past 15 years. Two main modelling frameworks have been initially proposed in the end of 1990s to capture ciliates’ gene assembly process, namely the intermolecular model and the intramolecular model. They were followed by other model proposals such as templatebased assembly and DNA rearrangement pathways recombination models. In this thesis we are interested in a variation of the intramolecular model called simple gene assembly model, which focuses on the simplest possible folds in the assembly process. We propose a new framework called directed overlap-inclusion (DOI) graphs to overcome the limitations that previously introduced models faced in capturing all the combinatorial details of the simple gene assembly process. We investigate a number of combinatorial properties of these graphs, including a necessary property in terms of forbidden induced subgraphs. We also introduce DOI graph-based rewriting rules that capture all the operations of the simple gene assembly model and prove that they are equivalent to the string-based formalization of the model. Reaction systems (RS) is another nature-inspired modeling framework that is studied in this thesis. Reaction systems’ rationale is based upon two main regulation mechanisms, facilitation and inhibition, which control the interactions between biochemical reactions. Reaction systems is a complementary modeling framework to traditional quantitative frameworks, focusing on explicit cause-effect relationships between reactions. The explicit formulation of facilitation and inhibition mechanisms behind reactions, as well as the focus on interactions between reactions (rather than dynamics of concentrations) makes their applicability potentially wide and useful beyond biological case studies. In this thesis, we construct a reaction system model corresponding to the heat shock response mechanism based on a novel concept of dominance graph that captures the competition on resources in the ODE model. We also introduce for RS various concepts inspired by biology, e.g., mass conservation, steady state, periodicity, etc., to do model checking of the reaction systems based models. We prove that the complexity of the decision problems related to these properties varies from P to NP- and coNP-complete to PSPACE-complete. We further focus on the mass conservation relation in an RS and introduce the conservation dependency graph to capture the relation between the species and also propose an algorithm to list the conserved sets of a given reaction system.

Stabilizing swarm intelligence search via positive feedback resource allocation

A novel Swarm Intelligence method for best-fit search, Stochastic Diffusion Search, is presented capable of rapid location of the optimal solution in the search space. Population based search mechanisms employed by Swarm Intelligence methods can suffer lack of convergence resulting in ill defined stopping criteria and loss of the best solution. Conversely, as a result of its resource allocation mechanism, the solutions SDS discovers enjoy excellent stability.

Otimização em comitês de classificadores: uma abordagem baseada em filtro para seleção de subconjuntos de atributos

Traditional applications of feature selection in areas such as data mining, machine learning and pattern recognition aim to improve the accuracy and to reduce the computational cost of the model. It is done through the removal of redundant, irrelevant or noisy data, finding a representative subset of data that reduces its dimensionality without loss of performance. With the development of research in ensemble of classifiers and the verification that this type of model has better performance than the individual models, if the base classifiers are diverse, comes a new field of application to the research of feature selection. In this new field, it is desired to find diverse subsets of features for the construction of base classifiers for the ensemble systems. This work proposes an approach that maximizes the diversity of the ensembles by selecting subsets of features using a model independent of the learning algorithm and with low computational cost. This is done using bio-inspired metaheuristics with evaluation filter-based criteria

Boosting optimum-path forest clustering through harmony Search and its applications for intrusion detection in computer networks

In this paper we propose a nature-inspired approach that can boost the Optimum-Path Forest (OPF) clustering algorithm by optimizing its parameters in a discrete lattice. The experiments in two public datasets have shown that the proposed algorithm can achieve similar parameters' values compared to the exhaustive search. Although, the proposed technique is faster than the traditional one, being interesting for intrusion detection in large scale traffic networks. © 2012 IEEE.