Unexpected evolutionary dynamics in a string based artificial chemistry

This work investigates closure in Cell Signaling Networks, which is one research area within the ESIGNET project. We employ a string-based Artificial Chemistry based on Holland’s broadcast language (Molecular Classifier System, Broadcast Language, or MCS.b). We present a series of experiments focusing on the emergence and evolution of self-maintaining molecular organizations. Such experiments naturally relate to similar studies conducted in artificial chemistries such as Tierra, Alchemy and Alpha-Universes. However, our results demonstrate some counter-intuitive outcomes, not indicated in previous literature. Each of these “unexpected” evolutionary dynamics (including an elongation catastrophe phenomenon) are examined and explained both informally and formally. We also demonstrate how the elongation catastrophe can be prevented using a multi-level selectional model of the MCS.b (which acts both at the molecular and cellular level). This work provides complementary insights into the understanding of evolutionary dynamics in minimal artificial chemistries

Evolving artificial cell signaling networks using molecular classifier systems

Nature is a source of inspiration for computational techniques which have been successfully applied to a wide variety of complex application domains. In keeping with this we examine Cell Signaling Networks (CSN) which are chemical networks responsible for coordinating cell activities within their environment. Through evolution they have become highly efficient for governing critical control processes such as immunological responses, cell cycle control or homeostasis. Realising (and evolving) Artificial Cell Signaling Networks (ACSNs) may provide new computational paradigms for a variety of application areas. Our abstraction of Cell Signaling Networks focuses on four characteristic properties distinguished as follows: Computation, Evolution, Crosstalk and Robustness. These properties are also desirable for potential applications in the control systems, computation and signal processing field. These characteristics are used as a guide for the development of an ACSN evolutionary simulation platform. In this paper we present a novel evolutionary approach named Molecular Classifier System (MCS) to simulate such ACSNs. The MCS that we have designed is derived from Holland's Learning Classifier System. The research we are currently involved in is part of the multi disciplinary European funded project, ESIGNET, with the central question of the study of the computational properties of CSNs by evolving them using methods from evolutionary computation, and to re-apply this understanding in developing new ways to model and predict real CSNs

Studying complex adaptive systems using molecular classifier systems

Complex Adaptive Systems (CAS) are dynamical networks of interacting agents occurring in a variety of natural and artificial systems (e.g. cells, societies, stock markets). These complex systems have the ability to adapt, evolve and learn from experience. To study CAS, Holland proposed to employ agent-based systems in which Learning Classifier Systems (LCS) are used to determine the agents behavior and adaptivity. We argue that LCS are limited for the study of CAS: the rule-discovery mechanism is pre-specified and may limit the evolvability of CAS. Secondly, LCS distinguish a demarcation between messages and rules, however operations are reflexive in CAS, e.g. in a cell, an agent (a molecule) may both act as a message (substrate) and as a catalyst (rule). To address these issues, we proposed the Molecular Classifier Systems (MCS.b), a string-based artificial chemistry based on Holland’s Broadcast Language. In the MCS.b, no explicit fitness function is specified, moreover no distinction is made between messages and rules. In the context of the ESIGNET project, we employ the MCS.b to study a subclass of CAS : Cell Signaling Networks (CSNs) which are complex biochemical networks responsible for coordinating cellular activities. As CSNs occur in cells, these networks must replicate themselves prior to cell division. In this poster we present a series of experiments focusing on the self-replication ability of these CAS

A molecular approach to complex adaptive systems

Complex Adaptive Systems (CAS) are dynamical networks of interacting agents which as a whole determine the behavior, adaptivity and cognitive ability of the system. CAS are ubiquitous and occur in a variety of natural and artificial systems (e.g., cells, societies, stock markets). To study CAS, Holland proposed to employ an agent-based system in which Learning Classifier Systems (LCS) were used to determine the agents behavior and adaptivity. We argue that LCS are limited for the study of CAS: the rule-discovery mechanism is pre-specified and may limit the evolvability of CAS. Secondly, LCS distinguish a demarcation between messages and rules, however operations are reflexive in CAS, e.g., in a cell, an agent (a molecule) may both act as a message (substrate) and as a catalyst (rule). To address these issues, we proposed the Molecular Classifier Systems (MCS.b), a string-based Artificial Chemistry based on Holland’s broadcast language. In the MCS.b, no explicit fitness function or rule discovery mechanism is specified, moreover no distinction is made between messages and rules. In the context of the ESIGNET project, we employ the MCS.b to study a subclass of CAS: Cell Signaling Networks (CSNs) which are complex biochemical networks responsible for coordinating cellular activities. As CSNs occur in cells, these networks must replicate themselves prior to cell division. In this paper we present a series of experiments focusing on the self-replication ability of these CAS. Results indicate counter intuitive outcomes as opposed to those inferred from the literature. This work highlights the current deficit of a theoretical framework for the study of Artificial Chemistries

Modeling and evolving biochemical networks: insights into communication and computation from the biological domain

This paper is concerned with the modeling and evolving of Cell Signaling Networks (CSNs) in silico. CSNs are complex biochemical networks responsible for the coordination of cellular activities. We examine the possibility to computationally evolve and simulate Artificial Cell Signaling Networks (ACSNs) by means of Evolutionary Computation techniques. From a practical point of view, realizing and evolving ACSNs may provide novel computational paradigms for a variety of application areas. For example, understanding some inherent properties of CSNs such as crosstalk may be of interest: A potential benefit of engineering crosstalking systems is that it allows the modification of a specific process according to the state of other processes in the system. This is clearly necessary in order to achieve complex control tasks. This work may also contribute to the biological understanding of the origins and evolution of real CSNs. An introduction to CSNs is first provided, in which we describe the potential applications of modeling and evolving these biochemical networks in silico. We then review the different classes of techniques to model CSNs, this is followed by a presentation of two alternative approaches employed to evolve CSNs within the ESIGNET project. Results obtained with these methods are summarized and discussed

Exploring evolutionary stability in a concurrent artificial chemistry

Multi-level selection has proven to be an affective mean to provide resistance against parasites for catalytic networks (Cronhjort and Blomberg, 1997). One way to implement these multi-level systems is to group molecules into several distinct compartments (cells) which are capable of cellular division (where an offspring cell replaces another cell). In such systems parasitized cells decay and are ultimately displaced by neighboring healthy cells. However in relatively small cellular populations, it is also possible that infected cells may rapidly spread parasites throughout the entire cellular population. In which case, group selection may fail to provide resistance to parasites. In this paper, we propose a concurrent artificial chemistry (AC) which has been implemented on a cluster of computers where each cell is running on a single CPU. This multi-level selectional artificial chemistry called the Molecular Classifier Systems was based on the Holland broadcast language. An attribute inherent to such a concurrent system is that the computational complexity of the molecular species contained in a reactor may now affect the fitness of the cell. This molecular computational cost may be regarded as the chemical activation energy necessary for a reaction to occur. Such a property is often not considered in typical Artificial Life models. Our experimental results obtained with this system suggest that this activation energy property may improve the resistance to parasites for catalytic networks. This work highlights some of the benefits that could be obtained using a concurrent architecture on top of computational efficiency. We first briefly present the Molecular Classifier Systems, this is then followed by a description of the multi-level concurrent model. Finally we discuss the benefits of using this multi-level concurrent model to enhance evolutionary stability for catalytic networks in our AC

Formulation and optimization of the energy-based blended quasicontinuum method

We formulate an energy-based atomistic-to-continuum coupling method based on blending the quasicontinuum method for the simulation of crystal defects. We utilize theoretical results from Van Koten and Luskin [32] and Ortner and Van Koten [24] to derive optimal choices of approximation parameters (blending function and finite element grid) for microcrack and di-vacancy test problems and confirm our analytical predictions in numerical tests

Positive definiteness of the blended force-based quasicontinuum method

The development of consistent and stable quasicontinuum models for multidimensional crystalline solids remains a challenge. For example, proving the stability of the force-based quasicontinuum (QCF) model [M. Dobson and M. Luskin, M2AN Math. Model. Numer. Anal., 42 (2008), pp. 113--139] remains an open problem. In one and two dimensions, we show that by blending atomistic and Cauchy--Born continuum forces (instead of a sharp transition as in the QCF method) one obtains positive-definite blended force-based quasicontinuum (B-QCF) models. We establish sharp conditions on the required blending width

Positive definiteness of the blended force-based quasicontinuum method

The development of consistent and stable quasicontinuum models for multidimensional crystalline solids remains a challenge. For example, proving the stability of the force-based quasicontinuum (QCF) model [M. Dobson and M. Luskin, M2AN Math. Model. Numer. Anal., 42 (2008), pp. 113--139] remains an open problem. In one and two dimensions, we show that by blending atomistic and Cauchy--Born continuum forces (instead of a sharp transition as in the QCF method) one obtains positive-definite blended force-based quasicontinuum (B-QCF) models. We establish sharp conditions on the required blending width