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A steadily growing computational power is employed to perform molecular dynamics simulations of biological macromolecules, which represents at the same time an immense opportunity and a formidable challenge. In fact, large amounts of data…

Soft Condensed Matter · Physics 2022-05-18 Margherita Mele , Roberto Covino , Raffaello Potestio

According to E.T. Jaynes and E.P. Wigner, entropy is an anthropomorphic concept in the sense that in a physical system correspond many thermodynamic systems. The physical system can be examined from many points of view each time examining…

Information Theory · Computer Science 2015-12-03 Panteleimon Rodis

Considering the difficulty of interpreting generative model output, there is significant current research focused on determining meaningful evaluation metrics. Several recent approaches utilize "precision" and "recall," borrowed from the…

Machine Learning · Computer Science 2025-02-28 Alexis Fox , Samarth Swarup , Abhijin Adiga

This study investigates entropy's potential for analyzing scientific research patterns across disciplines. Originating from thermodynamics, entropy now measures uncertainty and diversity in information systems. We examine Shannon Entropy,…

Physics and Society · Physics 2025-03-27 Yujie Shi , Alex Jie Yang , Sanhong Deng

The work is devoted to study of the following problem: can we use any qualitative criteria for realization of such universal phenomenon as self-organization in open systems? We have defined values of information at fixed points of…

Adaptation and Self-Organizing Systems · Physics 2016-10-04 Zeinulla Zh. Zhanabaev , Yeldos T. Kozhagulov , Serik A. Khokhlov

Intrinsic computation refers to how dynamical systems store, structure, and transform historical and spatial information. By graphing a measure of structural complexity against a measure of randomness, complexity-entropy diagrams display…

Chaotic Dynamics · Physics 2009-11-13 David P. Feldman , Carl S. McTague , James P. Crutchfield

Conceptually, partial information decomposition (PID) is concerned with separating the information contributions several sources hold about a certain target by decomposing the corresponding joint mutual information into contributions such…

Information Theory · Computer Science 2021-06-25 Kyle Schick-Poland , Abdullah Makkeh , Aaron J. Gutknecht , Patricia Wollstadt , Anja Sturm , Michael Wibral

We present a computationally efficient method to calculate the configurational entropy of network-forming materials. The method requires only the atomic coordinates and bonds of a single well-relaxed configuration. This is in contrast to…

Materials Science · Physics 2007-05-23 R. L. C. Vink , G. T. Barkema

Information theoretic quantities play a central role in machine learning. The recent surge in the complexity of data and models has increased the demand for accurate estimation of these quantities. However, as the dimension grows the…

Machine Learning · Statistics 2024-05-21 Viktor Nilsson , Anirban Samaddar , Sandeep Madireddy , Pierre Nyquist

The best way to model, understand, and quantify the information contained in complex systems is an open question in physics, mathematics, and computer science. The uncertain relationship between entropy and complexity further complicates…

Machine Learning · Computer Science 2022-11-10 Stephen Casey

Computer simulations have been employed in recent years to evaluate the configurational entropy changes in model glass-forming liquids. We consider two methods, both of which involve the calculation of the `intra-basin' entropy as a means…

Statistical Mechanics · Physics 2009-10-31 Srikanth Sastry

Information dynamics is an emerging description of information processing in complex systems which describes systems in terms of intrinsic computation, identifying computational primitives of information storage and transfer. In this paper…

Statistical Mechanics · Physics 2018-10-03 Richard E. Spinney , Joseph T. Lizier , Mikhail Prokopenko

Computers are deterministic dynamical systems (CHAOS 19:033124, 2009). Among other things, that implies that one should be able to use deterministic forecast rules to predict their behavior. That statement is sometimes-but not always-true.…

Chaotic Dynamics · Physics 2013-05-24 Joshua Garland , Ryan James , Elizabeth Bradley

In this Thesis, several results in quantum information theory are collected, most of which use entropy as the main mathematical tool. *While a direct generalization of the Shannon entropy to density matrices, the von Neumann entropy behaves…

Quantum Physics · Physics 2018-10-25 Christian Majenz

We propose a new interpretation of measures of information and disorder by connecting these concepts to group theory in a new way. Entropy and group theory are connected here by their common relation to sets of permutations. A combinatorial…

Information Theory · Computer Science 2019-11-25 David J. Galas

Collective organization in matter plays a significant role in its expressed physical properties. Typically, it is detected via an order parameter, appropriately defined for each given system's observed emergent patterns. Recent developments…

Statistical Mechanics · Physics 2016-08-16 V. S. Vijayaraghavan , R. G. James , J. P. Crutchfield

In this paper have written the results of the information analysis of structures. The obtained information estimation (IE) are based on an entropy measure of C. Shannon. Obtained IE is univalent both for the non-isomorphic and for the…

Information Theory · Computer Science 2007-07-16 Alexander Shaydurov

We introduce a class of information measures based on group entropies, allowing us to describe the information-theoretical properties of complex systems. These entropic measures are nonadditive, and are mathematically deduced from a series…

Statistical Mechanics · Physics 2019-10-21 Piergiulio Tempesta , Henrik Jeldtoft Jensen

Entropy and information can be considered dual: entropy is a measure of the subspace defined by the information constraining the given ambient space. Negative entropies, arising in na\"ive extensions of the definition of entropy from…

Probability · Mathematics 2023-03-06 Daniel Lazarev

We pedagogically present the information theory as originally established, explaining its essential ideas and paying attention to the expression employed to measure the amount of information. Also we discussed relationships between…

Quantum Physics · Physics 2019-12-10 Wallas S. Nascimento , Marcos M. de Almeida , Frederico V. Prudente