Framework of Experimental Design and Data Mining in Multi-agent Simulation

Multi-agent based simulation (MABS) is an important approach for studying complex systems. The Agent-based model often contains many parameters, these parameters are usually not independent, with differences in their range, and may be subjected to constraints. How to use MABS investigating complex systems effectively is still a challenge. The common tasks of MABS include: summarizing the macroscopic patterns of the system, identifying key factors, establishing a meta-model, and optimization. We proposed a framework of experimental design and data mining for MABS. In the framework, method of experimental design is used to generate experiment points in the parameter space, then generate simulation data, and finally using data mining techniques to analyze data. With this framework, we could explore and analyze complex system iteratively. Using central composite discrepancy (CCD) as measure of uniformity, we designed an algorithm of experimental design in which parameters could meet any constraints. We discussed the relationship between tasks of complex system simulation and data mining, such as using cluster analysis to classify the macro patterns of the system, and using CART, PCA, ICA and other dimensionality reduction methods to identify key factors, using linear regression, stepwise regression, SVM, neural network, etc. to build the meta-model of the system. This framework integrates MABS with experimental design and data mining to provide a reference for complex system exploration and analysis.

A semiotic cultural psychology theory analysis of the signs ‘We’, ‘Us’, ‘I’ and ‘Me’

Relevant to the emerging field of semiotic cultural psychology theory (SCPT), the present paper considers ‘We’, ‘Us’, ‘I’ and ‘Me’ as semiotic and cultural psychology phenomena. Drawing on the semiotics of Saussure, Peirce, Jakobson, and Cousins, a semiotic dynamic ‘double-dyadic’ model of the signifier and the referent is proposed. For each ‘We’, ‘Us’, ‘I’ and ‘Me’, the COVID-19 global pandemic related cases are used to analyse and illustrate the signifier-referent model. Implications are drawn from the new model for the complex systems entailed in organizing self and culture. Finally, suggestions are made for testing the model.

Controlling the length of porphyrin supramolecular polymers via coupled equilibria and dilution-induced supramolecular polymerization

Multi-component systems often display convoluted behavior, pathway complexity and coupled equilibria. In recent years, several ways to control complex systems by manipulating the subtle balances of interaction energies between the individual components have been explored and thereby shifting the equilibrium between different aggregate states. Here we show the enantioselective chain-capping and dilution-induced supramolecular polymerization with a Zn2+-porphyrin-based supramolecular system when going from long, highly cooperative supramolecular polymers to short, disordered aggregates by adding a monotopic Mn3+-porphyrin monomer. When mixing the zinc and manganese centered monomers, the Mn3+-porphyrins act as chain-cappers for Zn2+-porphyrin supramolecular polymers, effectively hindering growth of the copolymer and reducing the length. Upon dilution, the interaction between chain-capper and monomers weakens as the equilibria shift and long supramolecular polymers form again. This dynamic modulation of aggregate morphology and length is achieved through enantioselectivity in the aggregation pathways and concentration-sensitive equilibria. All-atom and coarse-grained molecular simulations provide further insights into the mixing of the species and their exchange dynamics. Our combined experimental and theoretical approach allows for precise control of molecular self-assembly and chiral discrimination in complex systems.

Emergence of energy-avoiding and energy-seeking behaviors in nonequilibrium dissipative quantum systems

A longstanding challenge in nonequilibrium thermodynamics is to predict the emergence of self-organized behaviors and functionalities typical of living matter. Despite the progress with classical complex systems, it remains far from obvious how to extrapolate these results down to the quantum scale. Here, we employ the paradigmatic master equation framework to establish that some lifelike behaviors and functionalities can indeed emerge in elementary dissipative quantum systems driven out of equilibrium. Specifically, we find both energy-avoiding (low steady dissipation) and energy-seeking behaviors (high steady dissipation), as well as self-adaptive shifts between these modes, in generic few-level systems. We also find emergent functionalities, namely, a self-organized thermal gradient in the system’s environment (in the energy-seeking mode) and an active equilibration against thermal gradients (in the energy-avoiding mode). Finally, we discuss the possibility that our results could be related to the concept of dissipative adaptation.

On the dual effect of obstacles in preventing silo clogging in 2D

Placing an obstacle in front of a bottleneck has been proposed as a sound alternative to improve the flow of discrete materials in a wide variety of scenarios. Nevertheless, the physical reasons behind this behavior are not fully understood and the suitability of this practice has been recently challenged for pedestrian evacuations. In this work, we experimentally demonstrate that for the case of inert grains discharging from a silo, an obstacle above the exit leads to a reduction of clog formation via two different mechanisms: i) an alteration of the kinematic properties in the outlet proximities that prevents the stabilization of arches; and ii) an introduction of a clear anisotropy in the contact fabric tensor that becomes relevant when working at a quasi-static regime. Then, both mechanisms are encompassed using a single formulation that could be inspiring for other, more complex, systems.

Letter to the editor: The 2021 Physics Nobel Prize and the understanding of complex physical systems

The 2021 Physics Nobel Prize was awarded to Syukuro Manabe, Klaus Hasselmann, and Giorgio Parisi for their “groundbreaking contributions to our understanding of complex physical systems.” Here we review some of the ideas and results which served as the scientific basis to the award. We also comment on the works by our research group on the complex systems properties of random lasers and random fiber lasers.

Transport phenomena in complex systems (part 2)

This theme issue, in two parts, continues research studies of transport phenomena in complex media published in the first part (Alexandrov & Zubarev 2021 Phil. Trans. R. Soc. A 379 , 20200301. ( doi:10.1098/rsta.2020.0301 )). The issue is concerned with theoretical, numerical and experimental investigations of nonlinear transport phenomena in heterogeneous and metastable materials of different nature, including biological systems. The papers are devoted to the new effects arising in such systems (e.g. pattern and microstructure formation in materials, impacts of external processes on their properties and evolution and so on). State-of-the-art methods of numerical simulations, stochastic analysis, nonlinear physics and experimental studies are presented in the collection of issue papers. This article is part of the theme issue ‘Transport phenomena in complex systems (part 2)’.