相关论文: Entropy based fingerprint for local crystalline or…
The use of coarse graining to connect physical and information theoretic entropies has recently been given a precise formulation in terms of ``observational entropy'', describing entropy for observers with respect to a measurement. Here we…
Graph based entropy, an index of the diversity of events in their distribution to parts of a co-occurrence graph, is proposed for detecting signs of structural changes in the data that are informative in explaining latent dynamics of…
The configurational entropy is an indispensable tool to describe super-cooled liquids near the glass transition. Its calculation requires the enumeration of the basins in the potential energy landscape and when available, it reveals a…
The thermodynamic definition of entropy can be extended to nonequilibrium systems based on its relation to information. To apply this definition in practice requires access to the physical system's microstates, which may be prohibitively…
Molecular fingerprints are significant cheminformatics tools to map molecules into vectorial space according to their characteristics in diverse functional groups, atom sequences, and other topological structures. In this paper, we set out…
Despite increasing demands for the thermodynamic data of liquids in a wide range of science and engineering fields, there is a still a considerable lack of reliable data over a wide range of temperature ($T$) and pressure conditions. The…
Motivated by the approach of random linear codes, a new distance in the vector space over a finite field is defined as the logarithm of the "surface area" of a Hamming ball with radius being the corresponding Hamming distance. It is named…
Motivated by the problem of fingerprint matching, we present geometric approximation algorithms for matching a pattern point set against a background point set, where the points have angular orientations in addition to their positions.
We propose an order parameter for a general one-dimensional gapped system with an open boundary condition. The order parameter can be computed from the ground state entanglement entropy of some regions near one of the boundaries. Hence, it…
We show that the concept of topological order, introduced to describe ordered quantum systems which cannot be classified by broken symmetries, also applies to classical systems. Starting from a specific example, we show how to use pure…
Crystallization is a process of great practical relevance in which rare but crucial fluctuations lead to the formation of a solid phase starting from the liquid. Like in all first order first transitions there is an interplay between…
We present a method for computing the topological entropy of one-dimensional maps. As an approximation scheme, the algorithm converges rapidly and provides both upper and lower bounds.
Fingerprinting techniques are widely used for localization because of their accuracy, especially in the presence of wireless channel noise. However, the fingerprinting techniques require significant storage and running time, which is a…
A possible mechanism of time is formulated by developing an idea of time replaced by quantum correlations, with the aid of modern quantum information theory. We invent a microscopic model, where correlations of a closed system are steadily…
We propose utilizing entropy as a diagnostic tool to distinguish between constant and dynamical dark energy models. Entropy, a measure of the system's disorder or information content, captures the complexity and evolution of the universe.…
Systems of hard shapes crystallize due to entropy. How is entropy distributed among translational and rotational microscopic contributions? We answer this question by decomposing thermal fluctuation of crystals of hard hexagons into…
Microscopic formula to describe the entropy of biomolecular solutions are derived based on the Gibbs formula of entropy, and the generalized Langevin theory combined with the RISM/3D-RISM theory. Two formula are derived: one is concerned…
Entropy production is a universal measure of irreversibility and energy dissipation in physical, chemical, and biological systems operating far from equilibrium. However, quantifying and spatiotemporally localising it in complex processes…
Molecular dynamics simulations of water, liquid beryllium fluoride and silica melt are used to study the accuracy with which the entropy of ionic and molecular liquids can be estimated from atom-atom radial distribution function data. All…
Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to characterize local environments in different polymorphs of…