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Building Intuitive and Insightful Simulations

Agent Based Modeling (ABM) is a synthetic or constructive modeling style where the primary objective is to construct collections of composite computational actors whose collective behavior generates phenomena similar to the model's referent (the system being studied).
 
The Latest
2009-11-05
New paper: At the Biological Modeling and Simulation Frontier has been published in Pharmaceutical Research, Volume 26, Number 11 / November, 2009. This paper delves deeply into modeling and simulation methodology. But it's not one of those papers filled with box-and-arrow figures that yaps on and on about useless abstractions! No. It starts from the practical task of simulating 5 various fine-grained biological systems and builds out from there, through our oft-cited co-simulation method, and out to a clear and, I think practical, explanation of the roles for deduction, induction, and abduction. The fundamental threads of symbolic grounding and model robustness in this paper grew out of the previous paper in Complexity.

2009-08-08
More Good news!  Our paper: Evaluating an Hepatic Enzyme Induction Mechanism Through Coarse- and Fine-grained Measurements of an In Silico Liver has been published in Complexity Vol. 14/No. 6. We even landed the cover, thanks to Tony's fantastic artwork! This paper has two main prongs: 1) it demonstrates a concrete example of Petroski's principle and the scientific method, in general, and 2) measuring a system, in this case the simulation and its referent, from multiple aspects, one coarse and one fine. The trick is that the referents (isolated perfused rat livers) are only measured at the coarse grain. Although we couldn't add enough detail (due to space restrictions) to explicitly lay out how indirect validation can be done at the fine grain, the article discusses the methodology for such. In addition, we describe a nice counter intuitive result typical of ABMs of complex systems where decreasing the likelihood of a metabolic event lead to increased extraction because the liver compensated by creating more enzymes.

2008-12-23
Good news!  My colleague Jesse Engelberg's paper: Essential Operating Principles for Tumor Spheroid Growth has been published (preliminary form) in BMC Systems Biology 2008, 2:110. This paper combines the themes of a previous paper, Simulating Properties of In Vitro Epithelial Cell Morphogenesis (Grant et al), which takes an axiomatic approach to biological modeling, with our falsification-based, synthetic modeling method, thereby providing another concrete example of discovering the inverse map from phenomena to generator.

2008-10-17
New paper on the In Silico Liver published in Complexity.  In this paper, we demonstrate how synthetic modeling (including agent-based models) should be used for scientific research. Often, ABMs are used in the same way traditional (operations research or control systems style) simulations are used.  Traditional simulation relies fundamentally on the analytic expressibility of the model.  Granted, often times, the mathematics of these traditional models have to be solved numerically; but the characterization of the system is still done with continuum mathematics.  And (bear with me, here) that means that the models express relations between variables.  And where do the variables come from?  From either data taken off the referent system or from a hypothetical assertion: "if we had data, it would follow a continuous curve (or manifold) like so".  Built into such methods is the requirement to take data off the system.  You cannot falsify such a model without actually performing the experiments on the referent.  With synthetic models, on the other hand, you can, because synthetic models allow you to explore hypotheses without specifying the variables in advance.  Instead, you specify the mechanisms and can (to some extent) leave the phenomena you measure (the data, the measure-ments) open.  This allows you to explore intra-model consistency, instead of assuming such consistency as we do with traditional variable-based (inductive) models.

In our paper, Evaluating an hepatic enzyme induction mechanism through coarse- and fine-grained measurements of an in silico liver, we document a set of experiments that are currently infeasible on real livers.  That means there is no data against which to falsify or validate the model.  Yet, we still manage to falsify the hypothesis reified in our model, thereby eliminating some wet-lab experiments we might otherwise have performed in order to falsify the model.

The Holy Grail of modeling and simulation is exactly this:  To perform experiments in silico in order to obviate or intelligently guide expensive experiments on the referent system.  It often surprises me how often simulation is used in industry and academia with zero consideration or achievement of this primary objective.  So, we're very happy Complexity accepted this article for publication.  It's amazing how few scientific journals will not publish reports of falsification, despite falsification being the primary element in the scientific method.
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