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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

Cell complexes (CCs) are a higher-order network model deeply rooted in algebraic topology that has gained interest in signal processing and network science recently. However, while the processing of signals supported on CCs can be described…

Signal Processing · Electrical Eng. & Systems 2025-06-12 Josef Hoppe , Vincent P. Grande , Michael T. Schaub

The term life sciences refers to the disciplines that study living organisms and life processes, and include chemistry, biology, medicine, and a range of other related disciplines. Research efforts in life sciences are heavily data-driven,…

In a previous paper the authors applied the Abstract Interpretation approach for approximating the probabilistic semantics of biological systems, modeled specifically using the Chemical Ground Form calculus. The methodology is based on the…

Logic in Computer Science · Computer Science 2009-12-01 Roberta Gori , Francesca Levi

Graph-based semantic representations are valuable in natural language processing, where it is often simple and effective to represent linguistic concepts as nodes, and relations as edges between them. Several attempts has been made to find…

Formal Languages and Automata Theory · Computer Science 2021-05-10 Johanna Björklund , Frank Drewes , Anna Jonsson

Symbolic models are abstract descriptions of continuous systems in which symbols represent aggregates of continuous states. In the last few years there has been a growing interest in the use of symbolic models as a tool for mitigating…

Optimization and Control · Mathematics 2007-07-31 Giordano Pola , Paulo Tabuada

As dynamic and control systems become more complex, relying purely on numerical computations for systems analysis and design might become extremely expensive or totally infeasible. Computer algebra can act as an enabler for analysis and…

Systems and Control · Computer Science 2018-01-01 Masoud Abbaszadeh

When designing new molecules with particular properties, it is not only important what to make but crucially how to make it. These instructions form a synthesis directed acyclic graph (DAG), describing how a large vocabulary of simple…

Machine Learning · Computer Science 2020-12-22 John Bradshaw , Brooks Paige , Matt J. Kusner , Marwin H. S. Segler , José Miguel Hernández-Lobato

The assumed causal relationships depicted in a DAG are interpreted using a set of rules called D-separation rules. Although these rules can be implemented automatically using standard software, at least a basic understanding of their…

Methodology · Statistics 2025-02-20 Fernando Pires Hartwig , Timothy Feeney , Neil Davies

It is fundamental for science and technology to be able to predict chemical reactions and their properties. To achieve such skills, it is important to develop good representations of chemical reactions, or good deep learning architectures…

Machine Learning · Computer Science 2022-01-05 Mohammadamin Tavakoli , Alexander Shmakov , Francesco Ceccarelli , Pierre Baldi

Graphs are used to represent and analyze data in domains as diverse as physics, biology, chemistry, planetary science, and the social sciences. Across domains, random graph models relate generative processes to expected graph properties,…

Physics and Society · Physics 2025-09-12 Cole Mathis , Harrison B. Smith

Abstract separation systems provide a simple general framework in which both tree-shape and high cohesion of many combinatorial structures can be expressed, and their duality proved. Applications range from tangle-type duality and tree…

Combinatorics · Mathematics 2017-04-19 Reinhard Diestel

P-systems are abstract computational models inspired by the phospholipid bilayer membranes generated by biological cells. Illustrated here is a mechanism by which recursive liposome structures (multivesicular liposomes) may be…

Emerging Technologies · Computer Science 2019-05-14 Richard Mayne , Neil Phillips , Andrew Adamatzky

Analysis of chemical graphs is a major research topic in computational molecular biology due to its potential applications to drug design. One approach is inverse quantitative structure activity/property relationship (inverse QSAR/QSPR)…

Data Structures and Algorithms · Computer Science 2020-09-22 Naveed Ahmed Azam , Jianshen Zhu , Yanming Sun , Yu Shi , Aleksandar Shurbevski , Liang Zhao , Hiroshi Nagamochi , Tatsuya Akutsu

An Abstract Graph Machine(AGM) is an abstract model for distributed memory parallel stabilizing graph algorithms. A stabilizing algorithm starts from a particular initial state and goes through series of different state changes until it…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-04-29 Thejaka Amila Kanewala , Marcin Zalewski , Andrew Lumsdaine

Biological processes underlying the basic functions of a cell involve complex interactions between genes. From a technical point of view, these interactions can be represented through a graph where genes and their connections are,…

Methodology · Statistics 2020-11-24 Thi Kim Hue Nguyen , Monica Chiogna

In living systems, we often see the emergence of the ingredients necessary for computation -- the capacity for information transmission, storage, and modification -- begging the question of how we may exploit or imitate such biological…

Neurons and Cognition · Quantitative Biology 2020-09-11 Kristine Heiney , Gunnar Tufte , Stefano Nichele

We propose a process calculus, named AbC, to study the behavioural theory of interactions in collective-adaptive systems by relying on attribute-based communication. An AbC system consists of a set of parallel components each of which is…

Logic in Computer Science · Computer Science 2018-07-31 Yehia Abd Alrahman , Rocco De Nicola , Michele Loreti

Thermodynamic aspects of chemical reactions have a long history in the Physical Chemistry literature. In particular, biochemical cycles - the building-blocks of biochemical systems - require a source of energy to function. However, although…

Quantitative Methods · Quantitative Biology 2018-08-14 Peter J. Gawthrop , Edmund J. Crampin

We introduce the AutoGRAMS framework for programming multi-step interactions with language models. AutoGRAMS represents AI agents as a graph, where each node can execute either a language modeling instruction or traditional code. Likewise,…

Computation and Language · Computer Science 2024-07-16 Ben Krause , Lucia Chen , Emmanuel Kahembwe