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The folding pathway and rate coefficients of the folding of a knotted protein are calculated for a potential energy function with minimal energetic frustration. A kinetic transition network is constructed using the discrete path sampling…

Biomolecules · Quantitative Biology 2010-07-05 Michael C. Prentiss , David J. Wales , Peter G. Wolynes

The $NK$ model, introduced by Kauffman, Levin, and Weinberger, is a random field used to describe the fitness landscape of certain species with $N$ genetic loci, each interacting with $K$ others. The model has wide applications in…

Probability · Mathematics 2025-08-19 Wei-Kuo Chen , Si Tang

The classical approach to protein folding inspired by statistical mechanics avoids the high dimensional structure of the conformation space by using effective coordinates. Here we introduce a network approach to capture the statistical…

Biomolecules · Quantitative Biology 2007-05-23 Erzsebet Ravasz , S. Gnanakaran , Zoltan Toroczkai

Understanding the origins of complexity is a fundamental challenge with implications for biological and technological systems. Network theory emerges as a powerful tool to model complex systems. Networks are an intuitive framework to…

Disordered Systems and Neural Networks · Physics 2024-10-22 Blai Vidiella , Salva Duran-Nebreda , Sergi Valverde

In Radhakrishnan et al. [2020], the authors empirically show that autoencoders trained with usual SGD methods shape out basins of attraction around their training data. We consider network functions of width not exceeding the input…

Machine Learning · Computer Science 2023-12-04 Hans-Peter Beise , Steve Dias Da Cruz

We employ the mathematical programming approach in conjunction with the graph theory to study the structure of correspondent banking networks. Optimizing the network requires decisions to be made to onboard, terminate or restrict the bank…

Machine Learning · Computer Science 2019-12-09 Nima Safaei , Ivan A. Sergienko

The idea of a collective intelligence behind the complex natural structures built by organisms suggests that the organization of social networks is selected so as to optimize problem-solving competence at the group-level. Here we study the…

Social and Information Networks · Computer Science 2016-09-19 José F. Fontanari , Francisco A. Rodrigues

The knowledge of the Free Energy Landscape topology is the essential key to understand many biochemical processes. The determination of the conformers of a protein and their basins of attraction takes a central role for studying molecular…

Biomolecules · Quantitative Biology 2009-06-26 Diego Prada-Gracia , Jesus Gomez-Gardenes , Pablo Echenique , Fernando Falo

We present a technique for calculating free-energy profiles for the nucleation of multicomponent structures that contain as many species as building blocks. We find that a key factor is the topology of the graph describing the connectivity…

Soft Condensed Matter · Physics 2015-01-12 William M. Jacobs , Aleks Reinhardt , Daan Frenkel

Due to the increasing discovery and implementation of networks within all disciplines of life, the study of subgraph connectivity has become increasingly important. Motivated by the idea of community (or sub-graph) detection within a…

Combinatorics · Mathematics 2015-05-19 Linda Eroh , Henry Escuardo , Ralucca Gera , Samuel Prahlow , Karl R. B. Schmitt

Fitness landscapes are a useful concept to study the dynamics of meta-heuristics. In the last two decades, they have been applied with success to estimate the optimization power of several types of evolutionary algorithms, including genetic…

Neural and Evolutionary Computing · Computer Science 2020-01-31 Nuno M. Rodrigues , Sara Silva , Leonardo Vanneschi

Compound graphs are networks in which vertices can be grouped into larger subsets, with these subsets capable of further grouping, resulting in a nesting that can be many levels deep. In several applications, including biological workflows,…

Human-Computer Interaction · Computer Science 2024-08-09 Chang Han , Justin Lieffers , Clayton Morrison , Katherine E. Isaacs

We define the crossing graph of a given embedded graph (such as a road network) to be a graph with a vertex for each edge of the embedding, with two crossing graph vertices adjacent when the corresponding two edges of the embedding cross…

Data Structures and Algorithms · Computer Science 2017-09-20 David Eppstein , Siddharth Gupta

Many phenomena in real world social networks are interpreted as spread of influence between activated and non-activated network elements. These phenomena are formulated by combinatorial graphs, where vertices represent the elements and…

Discrete Mathematics · Computer Science 2024-03-01 Siavash Askari , Manouchehr Zaker

A fundamental characteristic of computer networks is their topological structure. The question of the description of the structural characteristics of computer networks represents a problem that is not completely solved. Search methods for…

Discrete Mathematics · Computer Science 2024-08-08 Carlos E. Frasser

The architecture of a neural network constrains the potential dynamics that can emerge. Some architectures may only allow for a single dynamic regime, while others display a great deal of flexibility with qualitatively different dynamics…

Combinatorics · Mathematics 2020-08-04 Carina Curto , Christopher Langdon , Katherine Morrison

The maximum-weight matching problem and the behavior of its energy landscape is numerically investigated. We apply a perturbation method adapted from the analysis of spin glasses. This gives inside into the complexity of the energy…

Disordered Systems and Neural Networks · Physics 2023-04-04 Till Kahlke , Alexander K. Hartmann

We demonstrate how sophisticated graph properties, such as small distances and scale-free degree distributions, arise naturally from a reinforcement mechanism on layered graphs. Every node is assigned an a-priori i.i.d. fitness with…

Probability · Mathematics 2020-06-02 Markus Heydenreich , Christian Hirsch

Here we present the entropic dynamics formalism for networks. That is, a framework for the dynamics of graphs meant to represent a network derived from the principle of maximum entropy and the rate of transition is obtained taking into…

Physics and Society · Physics 2021-04-29 Felipe Xavier Costa , Pedro Pessoa

The landscape of low-energy effective field theories stemming from string theory is too vast for a systematic exploration. However, the meadows of the string landscape may be fertile ground for the application of machine learning…

High Energy Physics - Theory · Physics 2024-03-07 Stefano Lanza