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A steadily growing computational power is employed to perform molecular dynamics simulations of biological macromolecules, which represents at the same time an immense opportunity and a formidable challenge. In fact, large amounts of data…

Soft Condensed Matter · Physics 2022-05-18 Margherita Mele , Roberto Covino , Raffaello Potestio

The choice of structural resolution is a fundamental aspect of protein modelling, determining the balance between descriptive power and interpretability. Although atomistic simulations provide maximal detail, much of this information is…

Biomolecules · Quantitative Biology 2025-10-23 Margherita Mele , Raffaele Fiorentini , Thomas Tarenzi , Giovanni Mattiotti , Raffaello Potestio

A system responding to a stochastic driving signal can be interpreted as computing, by means of its dynamics, an implicit model of the environmental variables. The system's state retains information about past environmental fluctuations,…

Statistical Mechanics · Physics 2012-10-09 Susanne Still , David A. Sivak , Anthony J. Bell , Gavin E. Crooks

This letter exposes a tight connection between the thermodynamic efficiency of information processing and predictive inference. A generalized lower bound on dissipation is derived for partially observable information engines which are…

Statistical Mechanics · Physics 2020-02-12 Susanne Still

Many complex systems can be represented as networks composed by distinct layers, interacting and depending on each others. For example, in biology, a good description of the full protein-protein interactome requires, for some organisms, up…

Physics and Society · Physics 2015-04-24 M. De Domenico , V. Nicosia , A. Arenas , V. Latora

We develop an axiomatic reconstruction of thermodynamics based entirely on two primitive components: a description of what aspects of a system are observed and a reference measure that encodes the underlying descriptive convention. These…

Chemical Physics · Physics 2026-01-21 Tatsuaki Tsuruyama

One of the fundamental steps toward understanding a complex system is identifying variation at the scale of the system's components that is most relevant to behavior on a macroscopic scale. Mutual information provides a natural means of…

Machine Learning · Computer Science 2024-03-20 Kieran A. Murphy , Dani S. Bassett

In this work we present new scalable, information theory-based variational methods for the efficient model reduction of high-dimensional deterministic and stochastic reaction networks. The proposed methodology combines, (a) information…

Numerical Analysis · Mathematics 2019-10-10 Markos A. Katsoulakis , Pedro Vilanova

How do organisms recognize their environment by acquiring knowledge about the world, and what actions do they take based on this knowledge? This article examines hypotheses about organisms' adaptation to the environment from machine…

Neurons and Cognition · Quantitative Biology 2019-03-01 Hideaki Shimazaki

An information theoretic approach inspired by quantum statistical mechanics was recently proposed as a means to optimize network models and to assess their likelihood against synthetic and real-world networks. Importantly, this method does…

Statistical Mechanics · Physics 2018-09-12 Carlo Nicolini , Vladimir Vlasov , Angelo Bifone

The dynamics of many-body systems can often be captured in terms of only a few relevant variables. Mathematical and numerical approaches exist to identify these variables by exploiting a separation of time scales between slow relevant and…

It is known that statistical model selection as well as identification of dynamical equations from available data are both very challenging tasks. Physical systems behave according to their underlying dynamical equations which, in turn, can…

Mathematical Physics · Physics 2017-10-11 Sean Alan Ali , Carlo Cafaro

Predicting the physico-chemical properties of pure substances and mixtures is a central task in thermodynamics. Established prediction methods range from fully physics-based ab-initio calculations, which are only feasible for very simple…

Machine Learning · Computer Science 2024-12-02 Johannes Zenn , Dominik Gond , Fabian Jirasek , Robert Bamler

Adaptive systems -- such as a biological organism gaining survival advantage, an autonomous robot executing a functional task, or a motor protein transporting intracellular nutrients -- must model the regularities and stochasticity in their…

Statistical Mechanics · Physics 2021-04-13 A. B. Boyd , J. P. Crutchfield , M. Gu

Thermodynamics and information have intricate inter-relations. The justification of the fact that information is physical, is done by inter-linking information and thermodynamics - through Landauer's principle. This modern approach towards…

Quantum Physics · Physics 2018-05-29 Manabendra Nath Bera , Andreas Winter , Maciej Lewenstein

The internal dynamics of strongly interacting systems and that of biomolecules such as proteins display several important analogies, despite the huge difference in their characteristic energy and length scales. For example, in all such…

Biological Physics · Physics 2015-05-30 Pietro Faccioli

Model selection methods are used in different scientific contexts to represent a characteristic data set in terms of a reduced number of parameters. Apparently, these methods have not found their way into the literature on multibody systems…

Robotics · Computer Science 2017-05-30 Javier Ros , Xabier Iriarte , Aitor Plaza , Vicente Mata

Low-dimensional representations of underdamped systems often provide insightful grasps and analytical tractability. Here, we build such representations via information projections, obtaining an optimal model that captures the most…

Statistical Mechanics · Physics 2022-08-10 Giorgio Nicoletti , Amos Maritan , Daniel M. Busiello

Life depends as much on the flow of information as on the flow of energy. Here we review the many efforts to make this intuition precise. Starting with the building blocks of information theory, we explore examples where it has been…

Quantitative Methods · Quantitative Biology 2014-12-31 Gašper Tkačik , William Bialek

This paper provides a perspective on applying the concepts of information thermodynamics, developed recently in non-equilibrium statistical physics, to problems in theoretical neuroscience. Historically, information and energy in…

Neurons and Cognition · Quantitative Biology 2024-09-27 Jan Karbowski
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