Multiobjective strategies for New Product Development in the pharmaceutical industry

New Product Development (NPD) constitutes a challenging problem in the pharmaceutical industry, due to the characteristics of the development pipeline. Formally, the NPD problem can be stated as follows: select a set of R&D projects from a pool of candidate projects in order to satisfy several criteria (economic profitability, time to market) while coping with the uncertain nature of the projects. More precisely, the recurrent key issues are to determine the projects to develop once target molecules have been identified, their order and the level of resources to assign. In this context, the proposed approach combines discrete event stochastic simulation (Monte Carlo approach) with multiobjective genetic algorithms (NSGAII type, Non-Sorted Genetic Algorithm II) to optimize the highly combinatorial portfolio management problem. In that context, Genetic Algorithms (GAs) are particularly attractive for treating this kind of problem, due to their ability to directly lead to the so-called Pareto front and to account for the combinatorial aspect. This work is illustrated with a study case involving nine interdependent new product candidates targeting three diseases. An analysis is performed for this test bench on the different pairs of criteria both for the bi- and tricriteria optimization: large portfolios cause resource queues and delays time to launch and are eliminated by the bi- and tricriteria optimization strategy. The optimization strategy is thus interesting to detect the sequence candidates. Time is an important criterion to consider simultaneously with NPV and risk criteria. The order in which drugs are released in the pipeline is of great importance as with scheduling problems

Multiobjective strategies for New Product Development in the pharmaceutical industry

New Product Development (NPD) constitutes a challenging problem in the pharmaceutical industry, due to the characteristics of the development pipeline. Formally, the NPD problem can be stated as follows: select a set of R&D projects from a pool of candidate projects in order to satisfy several criteria (economic profitability, time to market) while coping with the uncertain nature of the projects. More precisely, the recurrent key issues are to determine the projects to develop once target molecules have been identified, their order and the level of resources to assign. In this context, the proposed approach combines discrete event stochastic simulation (Monte Carlo approach) with multiobjective genetic algorithms (NSGAII type, Non-Sorted Genetic Algorithm II) to optimize the highly combinatorial portfolio management problem. In that context, Genetic Algorithms (GAs) are particularly attractive for treating this kind of problem, due to their ability to directly lead to the so-called Pareto front and to account for the combinatorial aspect. This work is illustrated with a study case involving nine interdependent new product candidates targeting three diseases. An analysis is performed for this test bench on the different pairs of criteria both for the bi- and tricriteria optimization: large portfolios cause resource queues and delays time to launch and are eliminated by the bi- and tricriteria optimization strategy. The optimization strategy is thus interesting to detect the sequence candidates. Time is an important criterion to consider simultaneously with NPV and risk criteria. The order in which drugs are released in the pipeline is of great importance as with scheduling problems

Memetic Multilevel Hypergraph Partitioning

Hypergraph partitioning has a wide range of important applications such as VLSI design or scientific computing. With focus on solution quality, we develop the first multilevel memetic algorithm to tackle the problem. Key components of our contribution are new effective multilevel recombination and mutation operations that provide a large amount of diversity. We perform a wide range of experiments on a benchmark set containing instances from application areas such VLSI, SAT solving, social networks, and scientific computing. Compared to the state-of-the-art hypergraph partitioning tools hMetis, PaToH, and KaHyPar, our new algorithm computes the best result on almost all instances

Hybrid Representations for Composition Optimization and Parallelizing MOEAs

We present a hybrid EA representation suitable to optimize composition optimization problems ranging from optimizing recipes for catalytic materials to cardinality constrained portfolio selection. On several problem instances we can show that this new representation performs better than standard repair mechanisms with Lamarckism. Additionally, we investigate the a clustering based parallelization scheme for MOEAs. We prove that typical "divide and conquer\u27\u27 approaches are not suitable for the standard test functions like ZDT 1-6. Therefore, we suggest a new test function based on the portfolio selection problem and prove the feasibility of "divide and conquer\u27\u27 approaches on this test function

The Spatial Agent-based Competition Model (SpAbCoM)

The paper presents a detailed documentation of the underlying concepts and methods of the Spatial Agent-based Competition Model (SpAbCoM). For instance, SpAbCoM is used to study firms' choices of spatial pricing policy (GRAUBNER et al., 2011a) or pricing and location under a framework of multi-firm spatial competition and two-dimensional markets (GRAUBNER et al., 2011b). While the simulation model is briefly introduced by means of relevant examples within the corresponding papers, the present paper serves two objectives. First, it presents a detailed discussion of the computational concepts that are used, particularly with respect to genetic algorithms (GAs). Second, it documents SpAbCoM and provides an overview of the structure of the simulation model and its dynamics. -- Das vorliegende Papier dokumentiert die zugrundeliegenden Konzepte und Methoden des Räumlichen Agenten-basierten Wettbewerbsmodells (Spatial Agent-based Competition Model) SpAbCoM. Anwendungsbeispiele dieses Simulationsmodells untersuchen die Entscheidung bezüglich der räumlichen Preisstrategie von Unternehmen (GRAUBNER et al., 2011a) oder Preissetzung und Standortwahl im Rahmen eines räumlichen Wettbewerbsmodells, welches mehr als einen Wettbewerber und zweidimensionalen Marktgebiete berücksichtigt. Während das Simulationsmodell in den jeweiligen Arbeiten kurz anhand eines Beispiels eingeführt wird, dient das vorliegende Papier zwei Zielen. Zum Einen sollen die verwendeten computergestützten Konzepte, hier speziell Genetische Algorithmen (GA), detailliert vorgestellt werden. Zum Anderen besteht die Absicht dieser Dokumentation darin, einen Überblick über die Struktur von SpAbCoM und die während einer Simulation ablaufenden Prozesse zu gegeben.Agent-based modelling,genetic algorithms,spatial pricing,location model.,Agent-basierte Modellierung,Genetische Algorithmen,räumliche Preissetzung,Standortmodell.

A hybrid EDA for load balancing in multicast with network coding

Load balancing is one of the most important issues in the practical deployment of multicast with network coding. However, this issue has received little research attention. This paper studies how traffic load of network coding based multicast (NCM) is disseminated in a communications network, with load balancing considered as an important factor. To this end, a hybridized estimation of distribution algorithm (EDA) is proposed, where two novel schemes are integrated into the population based incremental learning (PBIL) framework to strike a balance between exploration and exploitation, thus enhance the efficiency of the stochastic search. The first scheme is a bi-probability-vector coevolution scheme, where two probability vectors (PVs) evolve independently with periodical individual migration. This scheme can diversify the population and improve the global exploration in the search. The second scheme is a local search heuristic. It is based on the problem-specific domain knowledge and improves the NCM transmission plan at the expense of additional computational time. The heuristic can be utilized either as a local search operator to enhance the local exploitation during the evolutionary process, or as a follow-up operator to improve the best-so-far solutions found after the evolution. Experimental results show the effectiveness of the proposed algorithms against a number of existing evolutionary algorithms

Chemical Reaction Optimization: A tutorial

Chemical Reaction Optimization (CRO) is a recently established metaheuristics for optimization, inspired by the nature of chemical reactions. A chemical reaction is a natural process of transforming the unstable substances to the stable ones. In microscopic view, a chemical reaction starts with some unstable molecules with excessive energy. The molecules interact with each other through a sequence of elementary reactions. At the end, they are converted to those with minimum energy to support their existence. This property is embedded in CRO to solve optimization problems. CRO can be applied to tackle problems in both the discrete and continuous domains. We have successfully exploited CRO to solve a broad range of engineering problems, including the quadratic assignment problem, neural network training, multimodal continuous problems, etc. The simulation results demonstrate that CRO has superior performance when compared with other existing optimization algorithms. This tutorial aims to assist the readers in implementing CRO to solve their problems. It also serves as a technical overview of the current development of CRO and provides potential future research directions. © 2012 The Author(s).published_or_final_versionSpringer Open Choice, 25 May 201

GALAXY: A new hybrid MOEA for the Optimal Design of Water Distribution Systems

This is the final version of the article. Available from American Geophysical Union via the DOI in this record.The first author would like to appreciate the financial support given by both the University of Exeter and the China Scholarship Council (CSC) toward the PhD research. We also appreciate the three anonymous reviewers, who help improve the quality of this paper substantially. The source code of the latest versions of NSGA-II and ε-MOEA can be downloaded from the official website of Kanpur Genetic Algorithms Laboratory via http://www.iitk.ac.in/kangal/codes.shtml. The description of each benchmark problem used in this paper, including the input file of EPANET and the associated best-known Pareto front, can be accessed from the following link to the Centre for Water Systems (http://tinyurl.com/cwsbenchmarks/). GALAXY can be accessed via http://tinyurl.com/cws-galaxy