Chaotic Crystallography: How the physics of information reveals structural order in materials

We review recent progress in applying information- and computation-theoretic measures to describe material structure that transcends previous methods based on exact geometric symmetries. We discuss the necessary theoretical background for this new toolset and show how the new techniques detect and describe novel material properties. We discuss how the approach relates to well known crystallographic practice and examine how it provides novel interpretations of familiar structures. Throughout, we concentrate on disordered materials that, while important, have received less attention both theoretically and experimentally than those with either periodic or aperiodic order.Comment: 9 pages, two figures, 1 table; http://csc.ucdavis.edu/~cmg/compmech/pubs/ChemOpinion.ht

Reductions of Hidden Information Sources

In all but special circumstances, measurements of time-dependent processes reflect internal structures and correlations only indirectly. Building predictive models of such hidden information sources requires discovering, in some way, the internal states and mechanisms. Unfortunately, there are often many possible models that are observationally equivalent. Here we show that the situation is not as arbitrary as one would think. We show that generators of hidden stochastic processes can be reduced to a minimal form and compare this reduced representation to that provided by computational mechanics--the epsilon-machine. On the way to developing deeper, measure-theoretic foundations for the latter, we introduce a new two-step reduction process. The first step (internal-event reduction) produces the smallest observationally equivalent sigma-algebra and the second (internal-state reduction) removes sigma-algebra components that are redundant for optimal prediction. For several classes of stochastic dynamical systems these reductions produce representations that are equivalent to epsilon-machines.Comment: 12 pages, 4 figures; 30 citations; Updates at http://www.santafe.edu/~cm

Chaotic Crystallography: How the physics of information reveals structural order in materials

We review recent progress in applying information- and computation-theoretic measures to describe material structure that transcends previous methods based on exact geometric symmetries. We discuss the necessary theoretical background for this new toolset and show how the new techniques detect and describe novel material properties. We discuss how the approach relates to well known crystallographic practice and examine how it provides novel interpretations of familiar structures. Throughout, we concentrate on disordered materials that, while important, have received less attention both theoretically and experimentally than those with either periodic or aperiodic order

Understanding and Designing Complex Systems: Response to "A framework for optimal high-level descriptions in science and engineering---preliminary report"

We recount recent history behind building compact models of nonlinear, complex processes and identifying their relevant macroscopic patterns or "macrostates". We give a synopsis of computational mechanics, predictive rate-distortion theory, and the role of information measures in monitoring model complexity and predictive performance. Computational mechanics provides a method to extract the optimal minimal predictive model for a given process. Rate-distortion theory provides methods for systematically approximating such models. We end by commenting on future prospects for developing a general framework that automatically discovers optimal compact models. As a response to the manuscript cited in the title above, this brief commentary corrects potentially misleading claims about its state space compression method and places it in a broader historical setting