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Main Authors: Domenikos, George-Rafael, Chew, Lock Yue, Leong, Victoria
Format: Preprint
Published: 2026
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Online Access:https://arxiv.org/abs/2604.24802
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author Domenikos, George-Rafael
Chew, Lock Yue
Leong, Victoria
author_facet Domenikos, George-Rafael
Chew, Lock Yue
Leong, Victoria
contents We introduce a constructive framework for assigning thermodynamic structure to an arbitrary data system from its measured microstates. Starting from an empirical distribution over configurations, we first infer a data-driven energy function by fitting a Boltzmann-type model to the observed statistics, thereby defining an energy axis that is intrinsic to the system. We then push the empirical distribution onto this energy coordinate and pose an inverse maximum-entropy problem: we learn a strictly concave trace-form entropy functional whose maximizer, under a small set of constraints extracted from the data, reproduces the observed energy-space histogram. With energy and entropy defined in this coupled, system-specific manner, macroscopic variables such as internal energy, an entropy-energy relation S(U), and a thermoinformational temperature T^(-1)= dS/dU follow consistently along admissible families of states. We demonstrate the construction on canonical unimodal and multimodal examples, including a harmonic well (recovering the classical equilibrium limit up to gauge) and a bistable double-well where global-constraint MaxEnt surrogates can obscure barrier and coexistence structure. The resulting formulation provides a principled route from microstate data to thermodynamically consistent macroscopic descriptors, with an optimized entropy matched to the empirical system.
format Preprint
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institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Thermoinformational State Construction: Generative Energies, Entropies, and H-Theorem Consistency
Domenikos, George-Rafael
Chew, Lock Yue
Leong, Victoria
Statistical Mechanics
We introduce a constructive framework for assigning thermodynamic structure to an arbitrary data system from its measured microstates. Starting from an empirical distribution over configurations, we first infer a data-driven energy function by fitting a Boltzmann-type model to the observed statistics, thereby defining an energy axis that is intrinsic to the system. We then push the empirical distribution onto this energy coordinate and pose an inverse maximum-entropy problem: we learn a strictly concave trace-form entropy functional whose maximizer, under a small set of constraints extracted from the data, reproduces the observed energy-space histogram. With energy and entropy defined in this coupled, system-specific manner, macroscopic variables such as internal energy, an entropy-energy relation S(U), and a thermoinformational temperature T^(-1)= dS/dU follow consistently along admissible families of states. We demonstrate the construction on canonical unimodal and multimodal examples, including a harmonic well (recovering the classical equilibrium limit up to gauge) and a bistable double-well where global-constraint MaxEnt surrogates can obscure barrier and coexistence structure. The resulting formulation provides a principled route from microstate data to thermodynamically consistent macroscopic descriptors, with an optimized entropy matched to the empirical system.
title Thermoinformational State Construction: Generative Energies, Entropies, and H-Theorem Consistency
topic Statistical Mechanics
url https://arxiv.org/abs/2604.24802