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In this work, we present methodologies for the quantification of confidence in bottom-up coarse-grained models for molecular and macromolecular systems. Coarse-graining methods have been extensively used in the past decades in order to…

We first define the coarse-graining of probability measures in terms of stochastic kernels. We define when a probability measure is part of another probability measure and say that two probability measures coexist if they are both parts of…

Quantum Physics · Physics 2022-10-14 Stan Gudder

From a new rigorous formulation of the general axiomatic foundations of thermodynamics we derive an operational definition of entropy that responds to the emergent need in many technological frameworks to understand and deploy thermodynamic…

Mathematical Physics · Physics 2014-11-21 Gian Paolo Beretta , Enzo Zanchini

The first paper of this series [J. Chem. Phys. 158, 034103 (2023)] demonstrated that excess entropy scaling holds for both fine-grained and corresponding coarse-grained (CG) systems. Despite its universality, a more exact determination of…

Chemical Physics · Physics 2023-01-18 Jaehyeok Jin , Kenneth S. Schweizer , Gregory A. Voth

Entropy production plays a fundamental role in the study of non-equilibrium systems by offering a quantitative handle on the degree of time-reversal symmetry breaking. It depends crucially on the degree of freedom considered as well as on…

Statistical Mechanics · Physics 2022-05-04 Luca Cocconi , Guillaume Salbreux , Gunnar Pruessner

One of the most important and useful entropic uncertainty relations concerns a $d$ dimensional system and two mutually unbiased measurements. In such a setting, the sum of two information entropies is lower bounded by $\ln d$. It has…

Quantum Physics · Physics 2021-10-27 Łukasz Rudnicki , Stephen P. Walborn

Recently a number of approaches has been developed to connect the microscopic dynamics of particle systems to the macroscopic properties of systems in nonequilibrium stationary states, via the theory of dynamical systems. This way a direct…

Statistical Mechanics · Physics 2009-10-31 L. Rondoni , E. G. D. Cohen

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…

Quantum Physics · Physics 2025-10-14 Leonardo Rossetti , Stefano Mancini , Andreas Winter , Joseph Schindler

The emergence of macroscopic variables can be effected through {\it coarse graining}. Despite practical and fundamental benefits conveyed by this partitioning of state space, the apparently subjective nature of the selection of coarse…

Statistical Mechanics · Physics 2016-08-31 L. S. Schulman , B. Gaveau

In this paper, we investigate and compare two well-developed definitions of entropy relevant for describing the dynamics of isolated quantum systems: bipartite entanglement entropy and observational entropy. In a model system of interacting…

Quantum Physics · Physics 2020-06-01 Dana Faiez , Dominik Šafránek , J. M. Deutsch , Anthony Aguirre

The characterization of physical systems relies on the observable properties which are measured, and how such measurements are performed. Here we analyze two ways of assigning a description to a quantum system assuming that we only have…

Observational entropy -- a quantity that unifies Boltzmann's entropy, Gibbs' entropy, von Neumann's macroscopic entropy, and the diagonal entropy -- has recently been argued to play a key role in a modern formulation of statistical…

Quantum Physics · Physics 2026-03-24 Teruaki Nagasawa , Kohtaro Kato , Eyuri Wakakuwa , Francesco Buscemi

We propose a data-driven, coarse-graining formulation in the context of equilibrium statistical mechanics. In contrast to existing techniques which are based on a fine-to-coarse map, we adopt the opposite strategy by prescribing a…

Machine Learning · Statistics 2017-02-01 Markus Schöberl , Nicholas Zabaras , Phaedon-Stelios Koutsourelakis

With the birth of quantum information science, many tools have been developed to deal with many-body quantum systems. Although a complete description of such systems is desirable, it will not always be possible to achieve this goal, as the…

Quantum Physics · Physics 2020-12-01 Cristhiano Duarte , Barbara Amaral , Marcelo Terra Cunha , Matthew Leifer

We find a criterion to compare POVM measurements and decide which ones can extract more information from physical systems, with coarser POVMs always extracting less information. This criteria generalizes the previous definition of coarser…

Quantum Physics · Physics 2022-09-26 Adam Teixidó-Bonfill

Entropy production is the crucial quantity characterizing irreversible phenomena and the second law of thermodynamics. Yet, a ubiquitous definition eludes consensus. Given that entropy production arises from incomplete access to…

Quantum Physics · Physics 2024-08-26 Adalberto D. Varizi , Pedro S. Correia

Multiscale systems are ubiquitous in science and technology, but are notoriously challenging to simulate as short spatiotemporal scales must be appropriately linked to emergent bulk physics. When expensive high-dimensional dynamical systems…

Machine Learning · Computer Science 2025-12-30 Quercus Hernandez , Max Win , Thomas C. O'Connor , Paulo E. Arratia , Nathaniel Trask

In statistical physics, useful notions of entropy are defined with respect to some coarse graining procedure over a microscopic model. Here we consider some special problems that arise when the microscopic model is taken to be relativistic…

High Energy Physics - Theory · Physics 2009-10-28 C. Holzhey , F. Larsen , F. Wilczek

We present a new computational framework combining coarse-graining techniques with bootstrap methods to study quantum many-body systems. The method efficiently computes rigorous upper and lower bounds on both zero- and finite-temperature…

High Energy Physics - Theory · Physics 2025-11-25 Minjae Cho , Colin Oscar Nancarrow , Petar Tadić , Yuan Xin , Zechuan Zheng

Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at atomic resolution. However, a coarse graining model must be formulated such that the conclusions we draw from it…