Measuring the Complexity of Continuous Distributions

We extend previously proposed measures of complexity, emergence, and self-organization to continuous distributions using differential entropy. This allows us to calculate the complexity of phenomena for which distributions are known. We find that a broad range of common parameters found in Gaussian and scale-free distributions present high complexity values. We also explore the relationship between our measure of complexity and information adaptation.Comment: 21 pages, 5 Tables, 4 Figure

Nonadiabatic excited-state molecular dynamics: treatment of electronic Decoherence

Within the fewest switches surface hopping (FSSH) formulation, a swarm of independent trajectories is propagated and the equations of motion for the quantum coefficients are evolved coherently along each independent nuclear trajectory. That is, the phase factors, or quantum amplitudes, are retained. At a region of strong coupling, a trajectory can branch into multiple wavepackets. Directly following a hop, the two wavepackets remain in a region of nonadiabatic coupling and continue exchanging population. After these wavepackets have sufficiently separated in phase space, they should begin to evolve independently from one another, the process known as decoherence. Decoherence is not accounted for in the standard surface hopping algorithm and leads to internal inconsistency. FSSH is designed to ensure that at any time, the fraction of classical trajectories evolving on each quantum state is equal to the average quantum probability for that state. However, in many systems this internal consistency requirement is violated. Treating decoherence is an inherent problem that can be addressed by implementing some form of decoherence correction to the standard FSSH algorithm. In this study, we have implemented two forms of the instantaneous decoherence procedure where coefficients are reinitialized following hops. We also test the energy-based decoherence correction (EDC) scheme proposed by Granucci et al. and a related version where the form of the decoherence time is taken from Truhlar's Coherent Switching with Decay of Mixing method. The sensitivity of the EDC results to changes in parameters is also evaluated. The application of these computationally inexpensive ad hoc methods is demonstrated in the simulation of nonradiative relaxation in two conjugated oligomer systems, specifically poly-phenylene vinylene and poly-phenylene ethynylene. We find that methods that have been used successfully for treating small systems do not necessarily translate to large polyatomic systems and their success depends on the particular system under study.Fil: Nelson, Tammie. Los Alamos National Laboratory; Estados UnidosFil: Fernández Alberti, Sebastián. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Roitberg, Adrián. University of Florida; Estados UnidosFil: Tretiak, Sergei. Los Alamos National Laboratory; Estados Unido

Regular variation and related results for the multivariate GARCH(p,q) model with constant conditional correlations

AbstractWe establish the regular variation of the finite dimensional distributions of the multivariate GARCH(p,q) process with constant conditional correlations under mild assumptions on the noise distribution. We use this property for two main purposes: First, to describe the componentwise-maximum domain of attraction in which the process lies; and second, to relate the asymptotic behavior of the sample autocovariance function of the process to its regular variation index

Reflections on the Complexity of Ancient Social Heterarchies: Toward New Models of Social Self-Organization in Pre-Hispanic Colombia

All political systems have limitations in their information processing and action capacities to face large-scale crises and challenges, but especially if they happen to be too hierarchically and centrally controlled systems. In contrast, some other cultures whose political structure is heterarchically organized, such as the Zenú, the Muiscas, and the Tayronas in pre-Hispanic Colombia, presented adaptiveness even without advanced scientific knowledge and without powerful centralized top-down control. We therefore propose that creating and analyzing computer models of their decentralized processes of management could provide a broader perspective on the possibilities of self-organized political systems. Our hope is that this approach will eventually go beyond the scope of basic science. It seeks to promote more computer-model-based research of social systems that exhibit an adaptive balance of flexibility and robustness, i.e., systems that do not rely on the current ideal of rule-based control of all systemic aspects, with the practical aim of improving current social and political processes

Portuguese and spanish DMOs’ accessibility Apps and websites

“Tourism for all” is based on three main aspects: accessible tourism, sustainable tourism and social tourism. Accessibility is an essential part of responsible and sustainable tourism. A sizable segment of the population comprises people who have a type of disability or people who are older and, as a result of age, experience diminished physical and/or mental abilities. The aim of this study is to analyze whether the mobile applications and websites of Portuguese and Spanish Destination Management Organizations (DMOs) are accessible. For this purpose, accessible destinations listed by the Tur4all project were taken as a sample for a quantitative exploratory study. Several tools related to accessibility were used to determine their level of compliance with the Web Content Accessibility Guidelines (WCAG) 2.1. The results reveal that the percentage of non-compliance with accessibility criteria is very high in DMOs in Portugal and especially in Spain. In conclusion, tourism for all is important, including its digital tools. The practical implications include guidance on accessibility for institutions and companies, as well as a need to raise awareness of its importance in the tourism sector. This is the only study that analyzes the accessibility of both apps and websites of the same institution according to the requirements in WCAG 2.1.info:eu-repo/semantics/publishedVersio

Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules

Radiationless transitions between electronic excited states in polyatomic molecules take place through unavoided crossings of the potential energy surfaces with substantial non-adiabatic coupling between the respective adiabatic states. While the extent in time of these couplings are large enough, these transitions can be reasonably well simulated through quantum transitions using trajectory surface hopping-like methods. In addition, complex molecular systems may have multiple trivial unavoided crossings between noninteracting states. In these cases, the non-adiabatic couplings are described as sharp peaks strongly localized in time. Therefore, their modeling is commonly subjected to the identification of regions close to the particular instantaneous nuclear configurations for which the energy surfaces actually cross each other. Here, we present a novel procedure to identify and treat these regions of unavoided crossings between non-interacting states using the so-called Min-Cost algorithm. The method differentiates between unavoided crossings between interacting states (simulated by quantum hops), and trivial unavoided crossings between non-interacting states (detected by tracking the states in time with Min-Cost procedure). We discuss its implementation within our recently developed non-adiabatic excited state molecular dynamics framework. Fragments of two- and four-ring linear polyphenylene ethynylene chromophore units at various separations have been used as a representative molecular system to test the algorithm. Our results enable us to distinguish and analyze the main features of these different types of radiationless transitions the molecular system undertakes during internal conversion.Fil: Fernández Alberti, Sebastián. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Roitberg, Adrián. University of Florida; Estados UnidosFil: Nelson, Tammie. Los Alamos National Laboratory; Estados UnidosFil: Tretiak, Sergei. Los Alamos National Laboratory; Estados Unido

Treinta y cinco años de investigación en gestión estratégica. Un análisis de países utilizando técnicas bibliométricas para el período 1987-2021

[EN] As a significant field of study, thirty-five years of strategic management research has accumulated a substantial amount of knowledge. This bibliometric study explores whether the unlimited flow of knowledge and the globalization of education & research in this time period, could drive away (or deter) the identification and specific interest of research in phenomena of national importance. Using bibliometric techniques and visualization of similarities (VOS) procedures of citation and co-citation analyses, this Paper explores research trends at the country level over 35 years using data from the Web of Science database. The aims are to identify: 1) the most visible and prominent actors at the country, regional, and global-level; 2) the evolution of the subjects of research into strategic management at the country, global, and supra-regional level; and 3) the evolution of journals publishing strategic management research articles by location. Findings suggest that common research subjects coexist at higher levels of aggregation, establishing the “paradigm” or general agreement about the field’s boundaries. Additionally, findings show that at the country level, rather than following a global trend, there is an enduring diversification of research agendas that bow to national and supranational factors from geographically close places.[ES] Como un campo de estudio importante, treinta y cinco años deinvestigación en gestión estratégica han acumulado una cantidad sustancial deconocimiento. Este estudio bibliométrico explora si el flujo ilimitado deconocimiento y la globalización de la educación y la investigación en esteperíodo de tiempo, podría alejar (o disuadir) la identificación y el interésespecífico de investigación de fenómenos de importancia nacional. Utilizandotécnicas bibliométricas y procedimientos de visualización de similitudes (VOS) de análisis de citas y co-citas, este documentoexplora las tendencias de investigación a nivel de país durante 35 añosutilizando datos de la base de datos Web of Science. Los objetivos se centranen identificar: 1) los actores más visibles y destacados a nivel nacional,regional y mundial; 2) la evolución de los temas de investigación de la gestiónestratégica a nivel país, global y suprarregional; y 3) la evolución de las revistas que publicanartículos de investigación de gestión estratégica por ubicación. Los hallazgossugieren que los temas de investigación comunes coexisten en niveles superioresde agregación, estableciendo el “paradigma” o acuerdo general sobre los límitesde campo de estudio. Además, los hallazgos muestran que, a nivel de países,existe una diversificación persistente de agendas de investigación, que seinclinan a estudiar eventos nacionales y supranacionales de lugaresgeográficamente cercanos, en vez de seguir una tendencia global

Modeling the secular evolution of migrating planet pairs

The subject of this paper is the secular behaviour of a pair of planets evolving under dissipative forces. In particular, we investigate the case when dissipative forces affect the planetary semi-major axes and the planets move inward/outward the central star, in a process known as planet migration. To perform this investigation, we introduce fundamental concepts of conservative and dissipative dynamics of the three-body problem. Based on these concepts, we develop a qualitative model of the secular evolution of the migrating planetary pair. Our approach is based on analysis of the energy and the orbital angular momentum exchange between the two-planet system and an external medium; thus no specific kind of dissipative forces is invoked. We show that, under assumption that dissipation is weak and slow, the evolutionary routes of the migrating planets are traced by the Mode I and Mode II stationary solutions of the conservative secular problem. The ultimate convergence and the evolution of the system along one of these secular modes of motion is determined uniquely by the condition that the dissipation rate is sufficiently smaller than the proper secular frequency of the system. We show that it is possible to reassemble the starting configurations and migration history of the systems on the basis of their final states and consequently to constrain the parameters of the physical processes involved.Comment: 20 pages, 17 figures. Accepted for publication in MNRA

An experimental study on evolutionary reactive behaviors for mobile robots navigation

Mobile robot's navigation and obstacle avoidance in an unknown and static environment is analyzed in this paper. From the guidance of position sensors, artificial neural network (ANN) based controllers settle the desired trajectory between current and a target point. Evolutionary algorithms were used to choose the best controller. This approach, known as Evolutionary Robotics (ER), commonly resorts to very simple ANN architectures. Although they include temporal processing, most of them do not consider the learned experience in the controller's evolution. Thus, the ER research presented in this article, focuses on the specification and testing of the ANN based controllers implemented when genetic mutations are performed from one generation to another. Discrete-Time Recurrent Neural Networks based controllers were tested, with two variants: plastic neural networks (PNN) and standard feedforward (FFNN) networks. Also the way in which evolution was performed was also analyzed. As a result, controlled mutation do not exhibit major advantages against over the non controlled one, showing that diversity is more powerful than controlled adaptation.Facultad de Informátic

Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble of trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.Fil: Nelson, Tammie R.. Los Alamos National Laboratory; Estados UnidosFil: Ondarse Alvarez, Dianelys. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Oldani, Andres Nicolas. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Rodríguez Hernández, Beatriz. Universidad Nacional de Quilmes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Alfonso Hernandez, Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Galindo, Johan F.. Universidad Nacional de Colombia; ColombiaFil: Kleiman, Valeria D.. University of Florida; Estados UnidosFil: Fernández Alberti, Sebastián. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Roitberg, Adrián. University of Florida; Estados UnidosFil: Tretiak, Sergei. Los Alamos National Laboratory; Estados Unido