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The design and engineering of molecular communication (MC) components capable of processing chemical concentration signals is the key to unleashing the potential of MC for interdisciplinary applications. By controlling the signaling pathway…

Information Theory · Computer Science 2023-10-19 Rinrada Jadsadaphongphaibool , Dadi Bi , Yansha Deng

Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of chemical reactions on surfaces. In this work, we outline a…

Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex…

A broad class of systems, including ecological, epidemiological, and sociological ones, are characterized by populations of individuals assigned to specific categories, e.g., a chemical species, an opinion or an epidemic state, that are…

Statistical Mechanics · Physics 2025-07-17 Giorgio Vittorio Visco , Johannes Nauta , Tomas Scagliarini , Oriol Artime , Manlio De Domenico

The cluster-weighted model (CWM) is a mixture model with random covariates which allows for flexible clustering and density estimation of a random vector composed by a response variable and by a set of covariates. In this class of models,…

Methodology · Statistics 2013-08-06 Salvatore Ingrassia , Antonio Punzo

Currently there is great interest in computational models consisting of underlying regular computational environments, and built on them distributed computational structures. Examples of such models are cellular automata, spatial…

Formal Languages and Automata Theory · Computer Science 2010-07-23 Oleksiy Kurgansky

1.) Spatio-temporal datasets that are difficult to analyze are common in ecological surveys. There are software packages available to analyze these datasets, but many of them require advanced coding skills. There is a growing need for easy…

Methodology · Statistics 2021-10-07 Ethan Lawler , Chris Field , Joanna Mills Flemming

The analysis of cyber-physical systems (CPS) is challenging due to the large state space and the continuous changes occurring in their constituent parts. Design practices favor modularity to help reducing this complexity. In a previous…

Logic in Computer Science · Computer Science 2022-08-03 Benjamin Lion , Farhad Arbab , Carolyn Talcott

Computational models pervade all branches of the exact sciences and have in recent times also started to prove to be of immense utility in some of the traditionally 'soft' sciences like ecology, sociology and politics. This volume is a…

While the Ising model remains essential to understand physical phenomena, its natural connection to combinatorial reasoning makes it also one of the best models to probe complex systems in science and engineering. We bring a computational…

Computational Physics · Physics 2022-12-27 Shaan A. Nagy , Roger Paredes , Jeffrey M. Dudek , Leonardo Dueñas-Osorio , Moshe Y. Vardi

Consider the finite state graph that results from a simple, discrete, dynamical system in which an agent moves in a rectangular grid picking up and dropping packages. Can the state variables of the problem, namely, the agent location and…

Artificial Intelligence · Computer Science 2022-07-13 Blai Bonet , Hector Geffner

Compartmental epidemic models have been widely used for predicting the course of epidemics, from estimating the basic reproduction number to guiding intervention policies. Studies commonly acknowledge these models' assumptions but less…

Populations and Evolution · Quantitative Biology 2022-11-23 Alexander F. Siegenfeld , Pratyush K. Kollepara , Yaneer Bar-Yam

Hypothesis Emerging energy-related technologies deal with multiscale hierarchical structures, intricate surface morphology, non-axisymmetric interfaces, and complex contact lines where wetting is difficult to quantify with classical…

Fluid Dynamics · Physics 2021-08-24 Chenhao Sun , James McClure , Steffen Berg , Peyman Mostaghimi , Ryan T. Armstrong

Computation nowadays is becoming inherently concurrent, either because of characteristics of the hardware (with multicore processors becoming omnipresent) or due to the ubiquitous presence of distributed systems (incarnated in the…

Software Engineering · Computer Science 2011-08-01 Mohammad Reza Mousavi , Antonio Ravara

In this paper we present a variant of the Calculus of Looping Sequences (CLS for short) with global and local rewrite rules. While global rules, as in CLS, are applied anywhere in a given term, local rules can only be applied in the…

Computational Engineering, Finance, and Science · Computer Science 2012-08-01 Livio Bioglio , Mariangiola Dezani-Ciancaglini , Paola Giannini , Angelo Troina

The processes taking place inside the living cell are now understood to the point where predictive computational models can be used to gain detailed understanding of important biological phenomena. A key challenge is to extrapolate this…

Tissues and Organs · Quantitative Biology 2018-10-26 Stefan Engblom Daniel B. Wilson , Ruth E. Baker

Spatial autoregressive combined (SAC) model has been widely studied in the literature for the analysis of spatial data in various areas such as geography, economics, demography, regional sciences. This is a linear model with scalar…

Methodology · Statistics 2020-04-17 Alassane Aw , Emmanuel Nicolas Cabral

Macroprogramming refers to the theory and practice of conveniently expressing the macro(scopic) behaviour of a system using a single program. Macroprogramming approaches are motivated by the need of effectively capturing global/system-level…

Programming Languages · Computer Science 2025-11-19 Roberto Casadei

This article critically assesses the utility of the classical statistical technique of Canonical Correlation Analysis (CCA) for studying spatial associations and proposes a new approach to enhance it. Unlike bivariate correlation analysis,…

Methodology · Statistics 2026-02-12 Zhenzhi Jiao , Angela Yao , Ran Tao , Jean-Claude Thill

Grid computing (GC) systems are large-scale virtual machines, built upon a massive pool of resources (processing time, storage, software) that often span multiple distributed domains. Concurrent users interact with the grid by adding new…

Programming Languages · Computer Science 2014-04-02 Carlos Alberto Ramírez Restrepo , Jorge A. Pérez , Jesús Aranda , Juan Francisco Díaz-Frias
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