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The similarity of local atomic environments is an important concept in many machine-learning techniques which find applications in computational chemistry and material science. Here, we present and discuss a connection between the…

Chemical Physics · Physics 2026-03-03 Alexander Croy

Entropy is a central concept in physics, but can be challenging to calculate even for systems that are easily simulated. This is exacerbated out of equilibrium, where generally little is known about the distribution characterizing simulated…

Statistical Mechanics · Physics 2024-05-09 Samuel D. Gelman , Guy Cohen

We discuss the information entropy for a general open pointer-based simultaneous measurement and show how it is bound from below. This entropic uncertainty bound is a direct consequence of the structure of the entropy and can be obtained…

Quantum Physics · Physics 2015-03-24 Raoul Heese , Matthias Freyberger

The concept of autonomy is fundamental for understanding biological organization and the evolutionary transitions of living systems. Understanding how a system constitutes itself as an individual, cohesive, self-organized entity is a…

Neurons and Cognition · Quantitative Biology 2019-02-07 Miguel Aguilera , Ezequiel Di Paolo

In a system of three stochastic variables, the Partial Information Decomposition (PID) of Williams and Beer dissects the information that two variables (sources) carry about a third variable (target) into nonnegative information atoms that…

Information Theory · Computer Science 2017-08-30 Giuseppe Pica , Eugenio Piasini , Daniel Chicharro , Stefano Panzeri

The statistical properties of physical systems in thermal equilibrium are blatantly different from their far-from-equilibrium counterparts. In the latter, fluctuations often dominate the dynamics and might cluster in ordered patterns in the…

While mutual information effectively quantifies dependence between two variables, it does not by itself reveal the complex, fine-grained interactions among variables, i.e., how multiple sources contribute redundantly, uniquely, or…

Information Theory · Computer Science 2026-05-05 Aobo Lyu , Andrew Clark , Netanel Raviv

Entropies are fundamental measures of uncertainty with central importance in information theory and statistics and applications across all the quantitative sciences. Under a natural set of operational axioms, the most general form of…

Information Theory · Computer Science 2026-02-02 Roberto Rubboli , Erkka Haapasalo , Marco Tomamichel

Predictive inference requires balancing statistical accuracy against informational complexity, yet the choice of complexity measure is usually imposed rather than derived. We treat econometric objects as predictive rules, mappings from…

Statistics Theory · Mathematics 2026-02-16 Nicholas G. Polson , Daniel Zantedeschi

We investigate the concept of entropy in probabilistic theories more general than quantum mechanics, with particular reference to the notion of information causality recently proposed by Pawlowski et. al. (arXiv:0905.2992). We consider two…

Using aggregated journal-journal citation networks, the measurement of the knowledge base in empirical systems is factor-analyzed in two cases of interdisciplinary developments during the period 1995-2005: (i) the development of…

Digital Libraries · Computer Science 2011-05-03 Loet Leydesdorff

The Partial Information Decomposition (PID) [arXiv:1004.2515] provides a theoretical framework to characterize and quantify the structure of multivariate information sharing. A new method (Idep) has recently been proposed for computing a…

Statistical Mechanics · Physics 2018-04-03 James W. Kay , Robin A. A. Ince

The Shannon entropy of a random variable has much behaviour analogous to a signed measure. Previous work has explored this connection by defining a signed measure on abstract sets, which are taken to represent the information that different…

Information Theory · Computer Science 2025-05-28 Keenan J. A. Down , Pedro A. M. Mediano

The traditional approach to the quantitative study of segregation is to employ indices that are selected by ``desirable properties''. Here, we detail how information theory underpins entropy-based indices and demonstrate how desirable…

Physics and Society · Physics 2022-12-15 Boris Barron , Yunus A. Kinkhabwala , Chriss Hess , Matthew Hall , Itai Cohen , Tomás A. Arias

Most methods for estimating configurational entropy from molecular simulation data yield upper limits except for harmonic systems where they are exact. Problems arise at diffusive systems and the presence of conformational transitions.…

Chemical Physics · Physics 2019-10-22 Jürgen Schlitter , Matthias Massarczyk

A new combinatorial-probabilistic diagnostic entropy has been introduced. It describes the pair-wise sum of probabilities of system conditions that have to be distinguished during the diagnosing process. The proposed measure describes the…

Information Theory · Computer Science 2009-09-29 Henryk Borowczyk

A unified combinatorial definition of the information content and entropy of different types of patterns, compatible with the traditional concepts of information and entropy, going beyond the limitations of Shannon information interpretable…

Information Theory · Computer Science 2025-01-22 Zsolt Pocze

Boolean network models of strongly connected modules are capable of capturing the high regulatory complexity of many biological gene regulatory circuits. We study numerically the previously introduced basin entropy, a parameter for the…

Disordered Systems and Neural Networks · Physics 2009-11-13 P. Krawitz , I. Shmulevich

Vibrational entropy plays a central role in determining phase stability and temperature dependent behavior in materials, yet its calculation from first-principles phonon methods remains computationally demanding. In this work, we combine…

Materials Science · Physics 2026-04-28 Shivam Tripathi , Jatin Kawatra , Varun Malviya , Krishna Mehta

We define correlational (von Neumann) entropy for an individual quantum state of a system whose time-independent hamiltonian contains random parameters and is treated as a member of a statistical ensemble. This entropy is representation…

chao-dyn · Physics 2013-01-16 Valentin V. Sokolov , B. Alex Brown , Vladimir Zelevinsky
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