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We explore the emergence of complex structures within reaction networks, focusing on nuclear reaction networks relevant to stellar nucleosynthesis. The work presents a theoretical framework rooted in Chemical Organization Theory (COT) to…

Solar and Stellar Astrophysics · Physics 2026-01-13 Pedro Maldonado-Lang , Clément Vidal

The process of dynamic state estimation (filtering) based on point process observations is in general intractable. Numerical sampling techniques are often practically useful, but lead to limited conceptual insight about optimal…

Machine Learning · Statistics 2016-09-13 Yuval Harel , Ron Meir , Manfred Opper

We discuss and generalize multi-particle entanglement based on statistical correlations using Ursell-Mayer type of cluster coefficients. Cluster coefficients are used to distinguish different, independent entangled systems as well as those…

Quantum Physics · Physics 2009-11-15 Atul Kumar , Mangala Sunder Krishnan

Based on the theory of stochastic chemical kinetics, the inherent randomness and stochasticity of biochemical reaction networks can be accurately described by discrete-state continuous-time Markov chains. The analysis of such processes is,…

Numerical Analysis · Mathematics 2014-10-14 Andreychenko Alexander , Mikeev Linar , Wolf Verena

This work presents a study of Kolmogorov complexity for general quantum states from the perspective of deterministic-control quantum Turing Machines (dcq-TM). We extend the dcq-TM model to incorporate mixed state inputs and outputs, and…

Quantum Physics · Physics 2024-01-24 Mariano Lemus , Ricardo Faleiro , Paulo Mateus , Nikola Paunković , André Souto

Alice and Bob are given two correlated n-bit strings x_1 and, respectively, x_2, which they want to losslessly compress and send to Zack. They can either collaborate by sharing their strings, or work separately. We show that there is no…

Information Theory · Computer Science 2017-02-14 Marius Zimand

Accurately predicting chemical reactions is essential for driving innovation in synthetic chemistry, with broad applications in medicine, manufacturing, and agriculture. At the same time, reaction prediction is a complex problem which can…

Machine Learning · Computer Science 2025-04-23 Ryan J. Miller , Alexander E. Dashuta , Brayden Rudisill , David Van Vranken , Pierre Baldi

Quantum information theory, particularly its entropic formulations, has made remarkable strides in characterizing quantum systems and tasks. However, a critical dimension remains underexplored: computational efficiency. While classical…

Quantum Physics · Physics 2026-05-05 Noam Avidan , Thomas A. Hahn , Joseph M. Renes , Rotem Arnon

The aim of this work is to make available to the community a large collection of mass-action reaction networks of a given size for further research. The set is limited to what can be computed on a modern multi-core desktop in reasonable…

Molecular Networks · Quantitative Biology 2009-01-21 Anastasia C. Deckard , Frank T. Bergmann , Herbert M. Sauro

We develop techniques to analyse the statistics of completion times of non-deterministic elements in quantum entanglement generation, and how they affect the overall performance as measured by the secret key rate. By considering such…

Quantum Physics · Physics 2019-04-10 Scott E. Vinay , Pieter Kok

This article proposes a convenient tool for decoding the output of neural networks trained by Connectionist Temporal Classification (CTC) for handwritten text recognition. We use regular expressions to describe the complex structures…

Neural and Evolutionary Computing · Computer Science 2016-03-31 Tobias Strauß , Gundram Leifert , Tobias Grüning , Roger Labahn

Optimal encoding of classical data for statistical inference using quantum computing is investigated. A universal encoder is sought that is optimal for a wide array of statistical inference tasks. Accuracy of any statistical inference is…

Quantum Physics · Physics 2024-04-15 Farhad Farokhi

Maximum entropy principle (MEP) offers an effective and unbiased approach to inferring unknown probability distributions when faced with incomplete information, while neural networks provide the flexibility to learn complex distributions…

Machine Learning · Statistics 2024-12-04 Wuyue Yang , Liangrong Peng , Guojie Li , Liu Hong

A numerically effective procedure for determining weakly reversible chemical reaction networks that are linearly conjugate to a known reaction network is proposed in this paper. The method is based on translating the structural and…

Dynamical Systems · Mathematics 2014-07-15 Matthew D. Johnston , David Siegel , Gábor Szederkényi

Many cellular patterns exhibit a reaction-diffusion component, suggesting that Turing instability may contribute to pattern formation. However, biological gene-regulatory pathways are more complex than simple Turing activator-inhibitor…

Molecular Networks · Quantitative Biology 2024-12-05 Hazlam S. Ahmad Shaberi , Aibek Kappassov , Antonio Matas-Gil , Robert G. Endres

Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…

Materials Science · Physics 2024-05-15 Bartosz Barzdajn , Christopher P. Race

We present some new results which relate information to chaotic dynamics. In our approach the quantity of information is measured by the Algorithmic Information Content (Kolmogorov complexity) or by a sort of computable version of it…

Statistical Mechanics · Physics 2007-05-23 V. Benci , C. Bonanno , S. Galatolo , G. Menconi , M. Virgilio

A proof-of-concept framework for identifying molecules of unknown elemental composition and structure using experimental rotational data and probabilistic deep learning is presented. Using a minimal set of input data determined…

Chemical Physics · Physics 2020-07-01 Michael C. McCarthy , Kin Long Kelvin Lee

Chemical reaction networks (CRNs) model systems where molecules interact according to a finite set of reactions such as $A + B \to C$, representing that if a molecule of $A$ and $B$ collide, they disappear and a molecule of $C$ is produced.…

Computational Complexity · Computer Science 2026-01-21 David Doty , Ben Heckmann

Machine learning (ML) can be used to construct surrogate models for the fast prediction of a property of interest. ML can thus be applied to chemical projects, where the usual experimentation or calculation techniques can take hours or days…