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Natural language processing models have emerged that can generate usable software and automate a number of programming tasks with high fidelity. These tools have yet to have an impact on the chemistry community. Yet, our initial testing…

Statistical Mechanics · Physics 2023-01-11 Glen M. Hocky , Andrew D. White

Action languages are formal models of parts of natural language that are designed to describe effects of actions. Many of these languages can be viewed as high level notations of answer set programs structured to represent transition…

Artificial Intelligence · Computer Science 2025-06-24 Joseph Babb , Joohyung Lee

An algebraic formalism for the study of interacting particle systems is developed. Particle processes are described in terms of the category theory. The problem for the unique description of these processes is discussed. Categories relevant…

Quantum Algebra · Mathematics 2007-05-23 Wladyslaw Marcinek

For the investigation of chemical reaction networks, the efficient and accurate determination of all relevant intermediates and elementary reactions is mandatory. The complexity of such a network may grow rapidly, in particular if reactive…

Chemical Physics · Physics 2016-01-08 Maike Bergeler , Gregor N. Simm , Jonny Proppe , Markus Reiher

Reactive answer set programming has paved the way for incorporating online information into operative solving processes. Although this technology was originally devised for dealing with data streams in dynamic environments, like assisted…

Artificial Intelligence · Computer Science 2013-12-24 Martin Gebser , Philipp Obermeier , Torsten Schaub

The goal of the paper is to automatize the selection of mechanisms which are able to describe a set of measurements. In order to do so first we construct a set of possible mechanism fulfilling chemically reasonable requirements with a given…

Numerical Analysis · Mathematics 2019-04-03 Tibor Nagy , János Tóth , Tamás Ladics

We propose a unified, human-readable, machine-processable novel syntax/notation designed to comprehensively describe reactions, molecules and excitation states. Our notation resolves inconsistencies in existing data representations and…

Computational Physics · Physics 2025-04-15 Dan Andrei Ciubotaru , Michele Renda , Călin Alexa

We claim that LLMs can be paired with formal analysis methods to provide accessible, relevant feedback for HRI tasks. While logic specifications are useful for defining and assessing a task, these representations are not easily interpreted…

Robotics · Computer Science 2024-05-28 Emily Jensen , Sriram Sankaranarayanan , Bradley Hayes

Timed transition systems are behavioural models that include an explicit treatment of time flow and are used to formalise the semantics of several foundational process calculi and automata. Despite their relevance, a general mathematical…

Logic in Computer Science · Computer Science 2023-06-22 Tomasz Brengos , Marco Peressotti

When robots perform long action sequences, users will want to easily and reliably find out what they have done. We therefore demonstrate the task of learning to summarize and answer questions about a robot agent's past actions using natural…

Robotics · Computer Science 2023-06-19 Chad DeChant , Iretiayo Akinola , Daniel Bauer

The classical dynamical systems model of continuous stirred tank reactors (CSTR) in which a first order chemical reaction takes place is reformulated in terms of stochastic cellular automata by extending previous works of Seyborg (1997) and…

Cellular Automata and Lattice Gases · Physics 2007-05-23 J. E. Perez-Terrazas , V. Ibarra-Junquera , H. C. Rosu

We show in this paper how managed multi-context systems (mMCSs) can be turned into a reactive formalism suitable for continuous reasoning in dynamic environments. We extend mMCSs with (abstract) sensors and define the notion of a run of the…

Artificial Intelligence · Computer Science 2015-05-21 Gerhard Brewka , Stefan Ellmauthaler , Jörg Pührer

Recent progress in machine learning has sparked increased interest in utilizing this technology to predict the outcomes of chemical reactions. The ultimate aim of such endeavors is to develop a universal model that can predict products for…

Chemical Physics · Physics 2025-07-03 Daniel Julian , Jesús Pérez-Ríos

Cellular automata are a discrete dynamical system which models massively parallel computation. Much attention is devoted to computations with small time complexity for which the parallelism may provide further possibilities. In this paper,…

Formal Languages and Automata Theory · Computer Science 2012-08-15 Anaël Grandjean , Gaétan Richard , Véronique Terrier

The immune system can be thought as a complex network of different interacting elements. A cellular automaton, defined in shape-space, was recently shown to exhibit self-regulation and complex behavior and is, therefore, a good candidate to…

Statistical Mechanics · Physics 2009-10-31 Rita Maria Zorzenon dos Santos , Americo T. Bernardes

Turing theory of pattern formation is among the most popular theoretical means to account for the variety of spatio-temporal structures observed in Nature and, for this reason, finds applications in many different fields. While Turing…

Pattern Formation and Solitons · Physics 2025-10-22 Riccardo Muolo , Luca Gallo , Vito Latora , Mattia Frasca , Timoteo Carletti

To investigate novel aspects of pattern formation in spin systems, we use a mapping between reactive concentrations in a reaction-diffusion system and spin orientations in a dynamic multiple-spin Ising model. While pattern formation in…

Adaptation and Self-Organizing Systems · Physics 2019-10-15 Mélody Merle , Laura Messio , Julien Mozziconacci

We propose reactive Turing machines (RTMs), extending classical Turing machines with a process-theoretical notion of interaction, and use it to define a notion of executable transition system. We show that every computable transition system…

Logic in Computer Science · Computer Science 2013-03-06 Jos C. M. Baeten , Bas Luttik , Paul van Tilburg

Automated scoring engines are increasingly being used to score the free-form text responses that students give to questions. Such engines are not designed to appropriately deal with responses that a human reader would find alarming such as…

Information Retrieval · Computer Science 2018-09-25 Christopher M. Ormerod , Amy E. Harris

We consider the computational model of the Queue Automaton. An old result is that the deterministic queue automaton is equally expressive as the Turing machine. We introduced the Reactive Turing Machine, enhancing the Turing machine with a…

Formal Languages and Automata Theory · Computer Science 2025-02-13 Jos C. M. Baeten , Bas Luttik
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