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Models of biochemical networks are usually presented as connected graphs where vertices indicate proteins and edges are drawn to indicate activation or inhibition relationships. These diagrams are useful for drawing qualitative conclusions…

动力系统 · 数学 2023-09-29 Chathranee Jayathilaka , Robyn Araujo , Lan Nguyen , Mark Flegg

In a recent paper it was shown that, for chemical reaction networks possessing a subtle structural property called concordance, dynamical behavior of a very circumscribed (and largely stable) kind is enforced, so long as the kinetics lies…

分子网络 · 定量生物学 2012-04-26 Guy Shinar , Martin Feinberg

Chemical algorithms are statistical algorithms described and represented as chemical reaction networks. They are particularly attractive for traffic shaping and general control of network dynamics; they are analytically tractable, they…

新兴技术 · 计算机科学 2016-01-21 Massimo Monti , Manolis Sifalakis , Christian F. Tschudin , Marco Luise

Metabolic networks perform some of the most fundamental functions in living cells, including energy transduction and building block biosynthesis. While these are the best characterized networks in living systems, understanding their…

分子网络 · 定量生物学 2010-04-05 W. J. Riehl , P. L. Krapivsky , S. Redner , D. Segre

An explanatory model for the emergence of evolvable units must display emerging structures that (1) preserve themselves in time (2) self-reproduce and (3) tolerate a certain amount of variation when reproducing. To tackle this challenge,…

适应与自组织系统 · 物理学 2020-06-22 Germán Kruszewski , Tomas Mikolov

Complex systems of intracellular biochemical reactions have a central role in regulating cell identities and functions. Biochemical reaction systems are typically studied using the language and tools of graph theory. However, graph…

组合数学 · 数学 2021-09-24 Raffaella Mulas , Rubén J. Sánchez-García , Ben D. MacArthur

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…

神经元与认知 · 定量生物学 2020-09-11 Kristine Heiney , Gunnar Tufte , Stefano Nichele

One approach to studying the system-wide organization of biochemistry is to use statistical graph theory. Even in such a heavily simplified method, which disregards most of the dynamic aspects of biochemistry, one is faced with fundamental…

分子网络 · 定量生物学 2010-08-17 Petter Holme , Mikael Huss

Consider two sets of entities and their members' mutual affinity values, say drug-target affinities (DTA). Drugs and targets are said to interact in their effects on DTAs if drug's effect on it depends on the target. Presence of interaction…

机器学习 · 计算机科学 2025-10-17 Tapio Pahikkala , Riikka Numminen , Parisa Movahedi , Napsu Karmitsa , Antti Airola

Bidirected graphs are a common generalisation of directed graphs where arcs can also be incoming to both their incident nodes, or outgoing from both their incident nodes. Such arcs allow a walk to change direction. Some algorithms can…

数据结构与算法 · 计算机科学 2026-05-14 Sebastian Schmidt , Juha Harviainen , Corentin Moumard , Aleksandr Politov , Francisco Sena , Alexandru I. Tomescu

Non-reciprocal interactions play a crucial role in many social and biological complex systems. While directionality has been thoroughly accounted for in networks with pairwise interactions, its effects in systems with higher-order…

适应与自组织系统 · 物理学 2025-10-22 Luca Gallo , Riccardo Muolo , Lucia Valentina Gambuzza , Vito Latora , Mattia Frasca , Timoteo Carletti

Functioning and interaction of distributed devices and concurrent algorithms are analyzed in the context of the theory of algorithms. Our main concern here is how and under what conditions algorithmic interactive devices can be more…

分布式、并行与集群计算 · 计算机科学 2007-10-09 Mark Burgin

To what extent do the characteristic features of a chemical reaction network reflect its purpose and function? In general, one argues that correlations between specific features and specific functions are key to understanding a complex…

统计力学 · 物理学 2012-03-22 Sang Hoon Lee , Sebastian Bernhardsson , Petter Holme , Beom Jun Kim , Petter Minnhagen

Metabolic networks are probably among the most challenging and important biological networks. Their study provides insight into how biological pathways work and how robust a specific organism is against an environment or therapy. Here we…

物理与社会 · 物理学 2023-10-06 Pietro Traversa , Guilherme Ferraz de Arruda , Alexei Vazquez , Yamir Moreno

The graphical notion of effective resistance has found wide-ranging applications in many areas of pure mathematics, applied mathematics and control theory. By the nature of its construction, effective resistance can only be computed in…

最优化与控制 · 数学 2013-10-23 George Forrest Young , Luca Scardovi , Naomi Ehrich Leonard

DCOP algorithms usually rely on interaction graphs to operate. In open and dynamic environments, such methods need to address how this interaction graph is generated and maintained among agents. Existing methods require reconstructing the…

人工智能 · 计算机科学 2022-12-08 Brighter Agyemang , Fenghui Ren , Jun Yan

What is the prospect of developing artificial general intelligence (AGI)? I investigate this question by systematically comparing living and algorithmic systems, with a special focus on the notion of "agency." There are three fundamental…

人工智能 · 计算机科学 2024-03-03 Johannes Jaeger

Chemical reaction networks can be automatically generated from graph grammar descriptions, where rewrite rules model reaction patterns. Because a molecule graph is connected and reactions in general involve multiple molecules, the rewriting…

形式语言与自动机理论 · 计算机科学 2016-04-22 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

Predicting the ground-state 3D molecular conformations from 2D molecular graphs is critical in computational chemistry due to its profound impact on molecular properties. Deep learning (DL) approaches have recently emerged as promising…

化学物理 · 物理学 2024-10-22 Taewon Kim , Hyunjin Seo , Sungsoo Ahn , Eunho Yang

We introduce MetaChem, a language for representing and implementing Artificial Chemistries. We motivate the need for modularisation and standardisation in representation of artificial chemistries. We describe a mathematical formalism for…

新兴技术 · 计算机科学 2020-06-16 Penelope Faulkner Rainford , Angelika Sebald , Susan Stepney