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Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are…

Machine Learning · Computer Science 2024-05-07 Benjie Wang , Joel Jennings , Wenbo Gong

This article shows how to specify and construct a discrete, stochastic, continuous-time model specifically for ecological systems. The model is more broad than typical chemical kinetics models in two ways. First, using time-dependent hazard…

Populations and Evolution · Quantitative Biology 2015-06-30 Andrew J. Dolgert

We have extended our chemical and cosmological galaxy evolution model to calculate the abundance evolution for altogether 16 different elements in spiral galaxies in a chemically consistent way which is a considerable step towards a more…

Astrophysics · Physics 2007-05-23 Ulrich Lindner , Uta Fritze -- von Alvensleben , Klaus J. Fricke

This paper describes a novel approach to neighbour-finding in Smoothed Particle Hydrodynamics (SPH) simulations with large dynamic range in smoothing length. This approach is based on hierarchical cell decompositions, sorted interactions,…

Instrumentation and Methods for Astrophysics · Physics 2013-09-17 Pedro Gonnet , Matthieu Schaller , Tom Theuns , Aidan B. G. Chalk

The rapid advancement of artificial intelligence (AI) has demonstrated substantial potential in chemical engineering, yet existing AI systems remain limited in interdisciplinary collaboration and exploration of uncharted problems. To…

Artificial Intelligence · Computer Science 2025-10-03 Zekun Jiang , Chunming Xu , Tianhang Zhou

Since its introduction in 1952, Turing's (pre-)pattern theory ("the chemical basis of morphogenesis") has been widely applied to a number of areas in developmental biology. The related pattern formation models normally comprise a system of…

Cell Behavior · Quantitative Biology 2020-10-28 Fiona R Macfarlane , Mark AJ Chaplain , Tommaso Lorenzi

Biological living systems in general exhibit complex and diverse dynamics. The latter, in particular, is essential, since diversification increases the odds of survival of an organism while reducing the risk of extinction of the population.…

Probability · Mathematics 2022-08-19 Sandesh Athni Hiremath

We develop a model to implement metal enrichment in a cosmological context based on the hydrodynamical AP3MSPH code described by Tissera, Lambas and Abadi (1997).The star formation model is based on the Schmidt law and has been modified in…

Astrophysics · Physics 2009-10-31 M. B. Mosconi , P. B. Tissera , S. A. Cora , D. G. Lambas

Disordered proteins and nucleic acids play key roles in cellular function and disease. Here we review recent advances in the computational exploration of the conformational dynamics of flexible biomolecules. We focus on hierarchical chain…

Chemical Physics · Physics 2022-10-31 Lisa M. Pietrek , Lukas S. Stelzl , Gerhard Hummer

Metaheuristic algorithms such as Particle Swarm Optimization (PSO) and Evolutionary Algorithms (EA) excel at exploring solution spaces but lack mechanisms to accumulate and reuse procedural knowledge from successful search trajectories.…

Neural and Evolutionary Computing · Computer Science 2026-04-01 Shanxian Lin , Yuichi Nagata , Haichuan Yang

Simulation of stochastic spatially-extended systems is a challenging problem. The fundamental quantities in these models are individual entities such as molecules, cells, or animals, which move and react in a random manner. In big systems,…

Quantitative Methods · Quantitative Biology 2024-09-24 Tomás Alarcón , Natalia Briñas-Pascual , Juan Calvo , Pilar Guerrero , Daria Stepanova

The Calculus of Wrapped Compartments (CWC) is a recently proposed modelling language for the representation and simulation of biological systems behaviour. Although CWC has no explicit structure modelling a spatial geometry, its compartment…

Logic in Computer Science · Computer Science 2011-08-18 Livio Bioglio , Cristina Calcagno , Mario Coppo , Ferruccio Damiani , Eva Sciacca , Salvatore Spinella , Angelo Troina

We propose SHARC, a novel framework that synthesizes arbitrary, genus-agnostic shapes by means of a collection of Spherical Harmonic (SH) representations of distance fields. These distance fields are anchored at optimally placed reference…

Computer Vision and Pattern Recognition · Computer Science 2026-04-03 Panagiotis Sapoutzoglou , George Terzakis , Maria Pateraki

We take up the challenge of designing realistic computational models of large interacting cell populations. The goal is essentially to bring Gillespie's celebrated stochastic methodology to the level of an interacting population of cells.…

Computational Engineering, Finance, and Science · Computer Science 2018-10-26 Stefan Engblom

Self-evolution methods enhance code generation through iterative "generate-verify-refine" cycles, yet existing approaches suffer from low exploration efficiency, failing to discover solutions with superior complexity within limited budgets.…

Computation and Language · Computer Science 2026-02-13 Tu Hu , Ronghao Chen , Shuo Zhang , Jianghao Yin , Mou Xiao Feng , Jingping Liu , Shaolei Zhang , Wenqi Jiang , Yuqi Fang , Sen Hu , Huacan Wang , Yi Xu

Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose…

Quantitative Methods · Quantitative Biology 2017-01-13 David Schnoerr , Guido Sanguinetti , Ramon Grima

A series of modified cognitive-only particle swarm optimization (PSO) algorithms effectively mitigate premature convergence by constructing distinct vectors for different particles. However, the underutilization of these constructed vectors…

Neural and Evolutionary Computing · Computer Science 2025-04-22 Zhenxing Zhang , Tianxian Zhang , Xiangliang Xu

Understanding how chemical perturbations propagate through biological systems is essential for robust molecular property prediction. While most existing methods focus on chemical structures alone, recent advances highlight the crucial role…

Machine Learning · Computer Science 2025-11-27 Mengran Li , Zelin Zang , Wenbin Xing , Junzhou Chen , Ronghui Zhang , Jiebo Luo , Stan Z. Li

The structural and dynamic properties of the dark matter halos, though an important ingredient in understanding large-scale structure formation, require more conservative particle resolution than those required by halo mass alone in a…

Cosmology and Nongalactic Astrophysics · Physics 2022-11-23 Sujatha Ramakrishnan , Premvijay Velmani

Issues in co-evolutionary population dynamics have long been studied via computationally intensive simulations of minimally simple agent-based models, known as Evolutionary Spatial Cyclic Games (ESCGs), involving multiple interacting…

Populations and Evolution · Quantitative Biology 2024-10-07 Dave Cliff
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