Related papers: Entropy based fingerprint for local crystalline or…
The profile of a sample is the multiset of its symbol frequencies. We show that for samples of discrete distributions, profile entropy is a fundamental measure unifying the concepts of estimation, inference, and compression. Specifically,…
Understanding peptide properties is often assumed to require modeling long-range molecular interactions, motivating the use of complex graph neural networks and pretrained transformers. Yet, whether such long-range dependencies are…
We propose a method to exponentially speed up computation of various fingerprints, such as the ones used to compute similarity and rarity in massive data sets. Rather then maintaining the full stream of $b$ items of a universe $[u]$, such…
Twenty years ago Poole et al. (Nature 360, 324, 1992) suggested that the anomalous properties of supercooled water may be caused by a critical point that terminates a line of liquid-liquid separation of lower-density and higher-density…
High-entropy materials shift the traditional materials discovery paradigm to one that leverages disorder, enabling access to unique chemistries unreachable through enthalpy alone. We present a self-consistent approach integrating…
We show how to measure the order-two Renyi entropy of many-body states of spinful fermionic atoms in an optical lattice in equilibrium and non-equilibrium situations. The proposed scheme relies on the possibility to produce and couple two…
Entropy arises in strong interactions by a dynamical separation of ``partons'' from unobservable ``environment'' modes due to confinement. For interacting scalar fields we calculate the statistical entropy of the observable subsystem.…
The derivation of entropy for cluster methods is reformulated by constructing the probability of a given particle (spin) configuration as a self-consistent product of cluster configuration probabilities. This approach gives an insight into…
The fidelity-based smooth min-relative entropy is a distinguishability measure that has appeared in a variety of contexts in prior work on quantum information, including resource theories like thermodynamics and coherence. Here we provide a…
Entropy is one of the key thermodynamic variables reflecting changes in the state of matter. Unlike other thermodynamic variables, it is well-defined also for nonequilibrium steady states through its relation to information. Applying this…
Entropy is a measure of heterogeneity widely used in applied sciences, often when data are collected over space. Recently, a number of approaches has been proposed to include spatial information in entropy. The aim of entropy is to…
We present a technique for entropy optimization to calculate a distribution from its moments. The technique is based upon maximizing a discretized form of the Shannon entropy functional by mapping the problem onto a dual space where an…
Embedded devices are omnipresent in modern networks including the ones operating inside critical environments. However, due to their constrained nature, novel mechanisms are required to provide external, and non-intrusive anomaly detection.…
Machine learning of atomic-scale properties is revolutionizing molecular modelling, making it possible to evaluate inter-atomic potentials with first-principles accuracy, at a fraction of the costs. The accuracy, speed and reliability of…
It has been known for some years that entanglement entropy obtained from partial trace does not provide the correct entanglement measure when applied to systems of identical particles. Several criteria have been proposed that have the…
Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions, developing models for interface and grain boundary structures. In…
We present magnetic fingerprints; an input technique for mobile touchscreen devices that uses a small magnet attached to a user's fingernail in order to differentiate between a normal touch and a magnetic touch. The polarity of the magnet…
For a system randomly prepared in a number of quantum states, we present a lower bound for the distinguishability of the quantum states, that is, the success probability of determining the states in the form of entropy. When the states are…
This paper illustrates the prospective need for structural fingerprinting methods for nanocrystals. A review of the existing fingerprinting methods for crystal structures by means of transmission electron microscopy which work for a single…
Despite great efforts over the past 50 years, the simulation of water still presents significant challenges and open questions. At room temperature and pressure, the collective molecular interactions and dynamics of water molecules may form…