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Particulate composites underpin many solid-state chemical and electrochemical systems, where microstructural features such as multiphase boundaries and inter-particle connections strongly influence system performance. Advances in X-ray…

Materials Science · Physics 2026-05-19 Zebin Li , Shimao Deng , Yijin Liu , Jia-Mian Hu

Graph-based signal processing techniques have become essential for handling data in non-Euclidean spaces. However, there is a growing awareness that these graph models might need to be expanded into `higher-order' domains to effectively…

Machine Learning · Computer Science 2024-04-15 Mustafa Hajij , Ghada Zamzmi , Theodore Papamarkou , Aldo Guzmán-Sáenz , Tolga Birdal , Michael T. Schaub

This paper investigates the relations between modular graph forms, which are generalizations of the modular graph functions that were introduced in earlier papers motivated by the structure of the low energy expansion of genus-one Type II…

High Energy Physics - Theory · Physics 2018-07-03 Eric D'Hoker , Michael B. Green

Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

Quantitative Methods · Quantitative Biology 2023-04-07 Xinye Xiong , Bingxin Zhou , Yu Guang Wang

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…

Dynamical Systems · Mathematics 2023-09-29 Chathranee Jayathilaka , Robyn Araujo , Lan Nguyen , Mark Flegg

We introduce an algorithmic model of heat conduction, the thermodynamic graph. The thermodynamic graph is analogous to meshes in the finite difference method in the sense that the calculation of temperature is carried out at the vertices of…

Computational Engineering, Finance, and Science · Computer Science 2018-02-02 O. Kurganskyy , A. J. Maksimova

This paper (parts I and II) provides an expository introduction to monotone and near-monotone dynamical systems associated to biochemical networks, those whose graphs are consistent or near-consistent. Many conclusions can be drawn from…

Molecular Networks · Quantitative Biology 2007-05-23 Eduardo D. Sontag

Temporal graphs represent the dynamic relationships among entities and occur in many real life application like social networks, e commerce, communication, road networks, biological systems, and many more. They necessitate research beyond…

Machine Learning · Computer Science 2022-08-26 Shubham Gupta , Srikanta Bedathur

Random graphs are more and more used for modeling real world networks such as evolutionary networks of proteins. For this purpose we look at two different models and analyze how properties like connectedness and degree distributions are…

Probability · Mathematics 2019-02-05 Klemens Taglieber , Uta Freiberg

A recent article by Weidner et al. [2021] presents a method to extract graph properties that are predictive of the dynamical behavior of multivariate, discrete models of biochemical regulation. In other words, a method that uses only…

Quantitative Methods · Quantitative Biology 2021-10-22 Luis M. Rocha

Biochemical mechanisms with mass action kinetics are often modeled by systems of polynomial differential equations (DE). Determining directly if the DE system has multiple equilibria (multistationarity) is difficult for realistic systems,…

Molecular Networks · Quantitative Biology 2014-11-12 Carsten Conradi , Maya Mincheva

We are looking at local protein interaction networks from the perspective of directed, labeled graphs with quantitative values for monotonic changes in concentrations. These systems can be used to perform stability analysis for a stable…

Molecular Networks · Quantitative Biology 2007-05-23 Gabriele Scheler

Artificial intelligence for graphs has achieved remarkable success in modeling complex systems, ranging from dynamic networks in biology to interacting particle systems in physics. However, the increasingly heterogeneous graph datasets call…

Machine Learning · Computer Science 2023-01-25 Yasha Ektefaie , George Dasoulas , Ayush Noori , Maha Farhat , Marinka Zitnik

The mathematical formalisms used to model biological systems induce both latent and ambiguous assumptions that can limit or distort their representational capabilities. Developing formalisms that can represent systems more precisely is…

Quantitative Methods · Quantitative Biology 2026-05-25 Léo Diaz , Sean T. Vittadello , Michael P. H. Stumpf

Machine learning on graph-structured data has recently become a major topic in industry and research, finding many exciting applications such as recommender systems and automated theorem proving. We propose an energy-based graph embedding…

Machine Learning · Computer Science 2023-08-25 Dominik Dold , Josep Soler Garrido

Many collective systems exist in nature far from equilibrium, ranging from cellular sheets up to flocks of birds. These systems reflect a form of active matter, whereby individual material components have internal energy. Under specific…

Soft Condensed Matter · Physics 2023-04-17 Namid R. Stillman , Silke Henkes , Roberto Mayor , Gilles Louppe

The exploration of the structural topology and the organizing principles of genome-based large-scale metabolic networks is essential for studying possible relations between structure and functionality of metabolic networks. Topological…

Molecular Networks · Quantitative Biology 2007-05-23 Jing Zhao , Hong Yu , Jian-Hua Luo , Zhi-Wei Cao , Yi-Xue Li

Exploring the structural topology of genome-based large-scale metabolic network is essential for investigating possible relations between structure and functionality. Visualization would be helpful for obtaining immediate information about…

Molecular Networks · Quantitative Biology 2007-09-06 Zhao Jing , Tao Lin , Yu Hong , Luo Jian-Hua , Z. W. Cao , Li Yixue

Many real life networks present an average path length logarithmic with the number of nodes and a degree distribution which follows a power law. Often these networks have also a modular and self-similar structure and, in some cases -…

Statistical Mechanics · Physics 2009-02-26 Alicia Miralles , Lichao Chen , Zhongzhi Zhang , Francesc Comellas

Node-link diagrams are a popular method for representing graphs that capture relationships between individuals, businesses, proteins, and telecommunication endpoints. However, node-link diagrams may fail to convey insights regarding graph…

Social and Information Networks · Computer Science 2023-09-20 Paul Rosen , Mustafa Hajij , Bei Wang
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