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Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…

Machine Learning · Computer Science 2022-06-20 Wujie Wang , Minkai Xu , Chen Cai , Benjamin Kurt Miller , Tess Smidt , Yusu Wang , Jian Tang , Rafael Gómez-Bombarelli

The familiar theories of physics have the feature that the application of the theory to make predictions in specific circumstances can be done by means of an algorithm. We propose a more precise formulation of this feature --- one based on…

General Relativity and Quantum Cosmology · Physics 2018-06-26 Robert Geroch , James B. Hartle

Classical and exceptional Lie algebras and their representations are among the most important tools in the analysis of symmetry in physical systems. In this letter we show how the computation of tensor products and branching rules of…

High Energy Physics - Theory · Physics 2021-04-22 Heng-Yu Chen , Yang-Hui He , Shailesh Lal , Suvajit Majumder

We show that the class of conditional distributions satisfying the coarsening at random (CAR) property for discrete data has a simple and robust algorithmic description based on randomized uniform multicovers: combinatorial objects…

Statistics Theory · Mathematics 2023-05-30 Richard D. Gill , Peter D. Grünwald

Cellular automata (CA), originally developed as computational models of natural processes, have become a central subject in the study of complex systems and generative visual forms. Among them, the Ulam-Warburton Cellular Automaton (UWCA)…

Cellular Automata and Lattice Gases · Physics 2026-01-28 Chung-En Hao , Ivan C. H. Liu

According to the Church-Turing Thesis (CTT), effective formal behaviours can be simulated by Turing machines; this has naturally led to speculation that physical systems can also be simulated computationally. But is this wider claim true,…

Quantum Physics · Physics 2008-11-10 Mike Stannett

Both cellular automata (CA) and lattice-gas automata (LG) provide finite algorithmic presentations for certain classes of infinite dynamical systems studied by symbolic dynamics; it is customary to use the term `cellular automaton' or…

Cellular Automata and Lattice Gases · Physics 2007-09-11 Tommaso Toffoli , Silvio Capobianco , Patrizia Mentrasti

We propose a rigorous decomposition of predictive error, highlighting that not all 'irreducible' error is genuinely immutable. Many domains stand to benefit from iterative enhancements in measurement, construct validity, and modeling. Our…

Machine Learning · Computer Science 2025-02-12 Jiani Yan , Charles Rahal

We use the martingale-theoretic approach of game-theoretic probability to incorporate imprecision into the study of randomness. In particular, we define a notion of computable randomness associated with interval, rather than precise,…

Probability · Mathematics 2017-05-05 Gert de Cooman , Jasper De Bock

Causal Graph Dynamics extend Cellular Automata to arbitrary, bounded-degree, time-varying graphs. The whole graph evolves in discrete time steps, and this global evolution is required to have a number of physics-like symmetries:…

Discrete Mathematics · Computer Science 2017-06-06 Pablo Arrighi , Simon Martiel , Simon Perdrix

Let $C^{pr}_m$ be the upper semilattice of degrees of computable sets with respect to primitive recursive $m$-reducibility. We prove that the first-order theory of $C^{pr}_m$ is hereditarily undecidable.

Logic · Mathematics 2025-04-29 Birzhan Kalmurzayev , Nikolay Bazhenov , Alibek Iskakov

Atomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and length-scales accessible with such…

Number-conserving cellular automata are discrete dynamical systems that simulate interacting particles like e.g. grains of sand. In an earlier paper, I had already derived a uniform construction for all transition rules of one-dimensional…

Cellular Automata and Lattice Gases · Physics 2025-06-02 Markus Redeker

Describing complex phenomena by means of cellular automata (CA) has shown to be a very effective approach in pure and applied sciences. In fact, the number of published papers concerning this topic has tremendously increased over the last…

Cellular Automata and Lattice Gases · Physics 2012-06-13 Luan Carlos de Sena Monteiro Ozelim , André Luís Brasil Cavalcante , Lucas Parreira de Faria Borges

As an alternative to visibly pushdown automata, we introduce visibly recursive automata (VRAs), composed of a set of classical automata that can call each other. VRAs are a strict extension of so-called systems of procedural automata, a…

Formal Languages and Automata Theory · Computer Science 2026-05-12 Kévin Dubrulle , Véronique Bruyère , Guillermo A. Pérez , Gaëtan Staquet

It is known that backward iterations of independent copies of a contractive random Lipschitz function converge almost surely under mild assumptions. By a sieving (or thinning) procedure based on adding to the functions time and space…

Probability · Mathematics 2020-03-25 Alexander Marynych , Ilya Molchanov

Gauge-invariance is a fundamental concept in physics---known to provide the mathematical justification for all four fundamental forces. In this paper, we provide discrete counterparts to the main gauge theoretical concepts, directly in…

Formal Languages and Automata Theory · Computer Science 2018-07-03 Pablo Arrighi , Giuseppe Di Molfetta , Nathanaël Eon

While there is a well-established notion of what a computable ordinal is, the question which functions on the countable ordinals ought to be computable has received less attention so far. We propose a notion of computability on the space of…

Logic in Computer Science · Computer Science 2017-04-11 Arno Pauly

Classical machine learning has succeeded in the prediction of both classical and quantum phases of matter. Notably, kernel methods stand out for their ability to provide interpretable results, relating the learning process with the physical…

Quantum Physics · Physics 2022-05-05 Teresa Sancho-Lorente , Juan Román-Roche , David Zueco

This work proposes a hierarchical clustering algorithm for high-dimensional datasets using the cyclic space of reversible finite cellular automata. In cellular automaton (CA) based clustering, if two objects belong to the same cycle, they…

Formal Languages and Automata Theory · Computer Science 2024-08-06 Baby C. J. , Kamalika Bhattacharjee