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In many far-from-equilibrium biological systems, energy injected by irreversible processes at microscopic scales propagates to larger scales to fulfill important biological functions. But given dissipative dynamics at the microscale, how…

Statistical Mechanics · Physics 2025-06-03 Qiwei Yu , Matthew P. Leighton , Christopher W. Lynn

Entropy is the distinguishing and most important concept of our efforts to understand and regularize our observations of a very large class of natural phenomena, and yet, it is one of the most contentious concepts of physics. In this…

Quantum Physics · Physics 2007-05-23 Elias P. Gyftopoulos

Molecular dynamics simulations provide theoretical insight into the microscopic behavior of materials in condensed phase and, as a predictive tool, enable computational design of new compounds. However, because of the large temporal and…

Chemical Physics · Physics 2020-06-18 Wujie Wang , Rafael Gómez-Bombarelli

Starting from the detailed catalytic mechanism of a biocatalyst we provide a coarse-graining procedure which, by construction, is thermodynamically consistent. This procedure provides stoichiometries, reaction fluxes (rate laws), and…

Statistical Mechanics · Physics 2018-04-27 Artur Wachtel , Riccardo Rao , Massimiliano Esposito

Simulations of condensed matter systems often focus on the dynamics of a few distinguished components but require integrating the dynamics of the full system. A prime example is a molecular dynamics simulation of a (macro)molecule in…

Computational Physics · Physics 2024-03-12 Mauricio J. del Razo , Daan Crommelin , Peter G. Bolhuis

We show that the Jaynes principle is indeed a proper inference scheme when applied to compound systems and will correctly produce the entangled maximum entropy states compatible with appropriate data. This is accomplished by including the…

Quantum Physics · Physics 2008-12-18 A. K. Rajagopal

Aggregation transitions in disordered mesoscopic systems play an important role in several areas of knowledge, from materials science to biology. The lack of a thermodynamic limit in systems that are intrinsically finite makes the…

Statistical Mechanics · Physics 2022-02-25 L. F. Trugilho , L. G. Rizzi

We formulate a geometric framework in which physical laws emerge from restricted access to microscopic information. Measurement constraints are modeled as a gauge symmetry acting on density operators, inducing a gauge-reduced space of…

Quantum Physics · Physics 2026-05-19 Tiago Pernambuco , Lucas Chibebe Céleri

Fluctuating entropy production is studied for a set of linearly coupled complex fields. The general result is applied to non-equilibrium fluctuating hydrodynamic equations for coarse-grained fields (density, temperature and velocity), in…

Statistical Mechanics · Physics 2012-07-09 Giacomo Gradenigo , Andrea Puglisi , Alessandro Sarracino

Universality of classical thermodynamics rests on the central limit theorem, due to which, measurements of thermal fluctuations are unable to reveal detailed information regarding the microscopic structure of a macroscopic body. When small…

Quantum Physics · Physics 2024-02-28 Lucas Chibebe Céleri , Łukasz Rudnicki

We present a data-driven machine-learning approach for modeling space-time socioeconomic dynamics. Through coarse-graining fine-scale observations, our modeling framework simplifies these complex systems to a set of tractable mechanistic…

Machine Learning · Computer Science 2024-07-26 James Koch , Pranab Roy Chowdhury , Heng Wan , Parin Bhaduri , Jim Yoon , Vivek Srikrishnan , W. Brent Daniel

We propose an operational definition of the entropy of cosmological perturbations based on a truncation of the hierarchy of Green functions. The value of the entropy is unambiguous despite gauge invariance and the renormalization procedure.…

High Energy Physics - Theory · Physics 2008-11-26 David Campo , Renaud Parentani

The postulates of thermodynamics were originally formulated for macroscopic systems. They lead to the definition of the entropy, which, for a homogeneous system, is a homogeneous function of order one in the extensive variables and is…

Statistical Mechanics · Physics 2018-11-14 Dragos-Victor Anghel , Alexandru S. Parvan

We propose bulk duals for certain coarse-grained entropies of boundary regions. The `one-point entropy' is defined in the conformal field theory by maximizing the entropy in a domain of dependence while fixing the one-point functions. We…

High Energy Physics - Theory · Physics 2014-04-02 William R. Kelly , Aron C. Wall

A thermodynamic formalism describing the efficiency of information learning is proposed, which is applicable for stochastic thermodynamic systems with multiple internal degree of freedom. The learning rate, entropy production rate (EPR),…

Statistical Mechanics · Physics 2023-05-31 Minghao Li , Shihao Xia , Youlin Wang , Minglong Lv , Shanhe Su

We prove that the transport of any differentiable scalar observable in $d$-dimensional non-equilibrium systems is bounded from above by the total entropy production scaled by the amount the observation "stretches" microscopic coordinates.…

Statistical Mechanics · Physics 2024-10-10 Cai Dieball , Aljaž Godec

The generalized entropic measure, which is optimized by a given arbitrary distribution under the constraints on normalization of the distribution and the finite ordinary expectation value of a physical random quantity, is considered and its…

Statistical Mechanics · Physics 2009-11-10 Sumiyoshi Abe , G. Kaniadakis , A. M. Scarfone

We present a coarse-graining method applicable to dry scalar active matter with motility regulation. Our approach, based on a multiscale perturbative expansion of the backward Kolmogorov equation, does not rely on any specific microscopic…

Statistical Mechanics · Physics 2026-04-13 Alberto Dinelli , Pietro Luigi Muzzeddu

Coarse-graining techniques play a central role in reducing the complexity of stochastic models, and are typically characterised by a mapping which projects the full state of the system onto a smaller set of variables which captures the…

Probability · Mathematics 2023-09-28 Bastian Hilder , Upanshu Sharma

We propose a broadly applicable formalism for the description of coarse grained entropy production in quantum mechanical processes. Our formalism is based on the Husimi transform of the quantum state, which encodes the notion that…

High Energy Physics - Phenomenology · Physics 2010-04-21 Teiji Kunihiro , Berndt Muller , Akira Ohnishi , Andreas Schafer