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The paper discusses the limitations of deep learning models in identifying and utilizing features that remain invariant under a bijective transformation on the data entries, which we refer to as combinatorial patterns. We argue that the…

Machine Learning · Computer Science 2023-03-30 Karen Sargsyan

This paper investigates how the compositional structure of neural networks shapes their optimization landscape and training dynamics. We analyze the gradient flow associated with overparameterized optimization problems, which can be…

Machine Learning · Computer Science 2025-11-14 Arthur Castello Branco de Oliveira , Dhruv Jatkar , Eduardo Sontag

Encoder-decoder networks using convolutional neural network (CNN) architecture have been extensively used in deep learning literatures thanks to its excellent performance for various inverse problems. However, it is still difficult to…

Machine Learning · Computer Science 2019-05-08 Jong Chul Ye , Woon Kyoung Sung

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

Usually the offspring-parent fitness correlation is used to visualize and analyze some caracteristics of fitness landscapes such as evolvability. In this paper, we introduce a more general representation of this correlation, the Fitness…

Neural and Evolutionary Computing · Computer Science 2007-07-05 Sébastien Verel , Philippe Collard , Manuel Clergue

Deep neural networks are workhorse models in machine learning with multiple layers of non-linear functions composed in series. Their loss function is highly non-convex, yet empirically even gradient descent minimisation is sufficient to…

Disordered Systems and Neural Networks · Physics 2020-03-18 Simon Becker , Yao Zhang , Alpha A. Lee

In this paper we study self-similar and fractal networks from the combinatorial perspective. We establish analogues of topological (Lebesgue) and fractal (Hausdorff) dimensions for graphs and demonstrate that they are naturally related to…

Combinatorics · Mathematics 2019-12-25 Pavel Skums , Leonid Bunimovich

Network theory provides various tools for investigating the structural or functional topology of many complex systems found in nature, technology and society. Nevertheless, it has recently been realised that a considerable number of systems…

Data Analysis, Statistics and Probability · Physics 2012-03-23 Jonathan F. Donges , Hanna C. H. Schultz , Norbert Marwan , Yong Zou , Juergen Kurths

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

We propose a new architecture for difficult image processing operations, such as natural edge detection or thin object segmentation. The architecture is based on a simple combination of convolutional neural networks with the nearest…

Computer Vision and Pattern Recognition · Computer Science 2014-07-04 Yaroslav Ganin , Victor Lempitsky

We consider the population dynamics of a set of species whose network of catalytic interactions is described by a directed graph. The relationship between the attractors of this dynamics and the underlying graph theoretic structures like…

adap-org · Physics 2009-10-30 Sanjay Jain , Sandeep Krishna

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

Machine Learning · Computer Science 2026-02-03 Zeljko Bolevic , Milos Brajovic , Isidora Stankovic , Ljubisa Stankovic

In this Master's thesis, the graph properties of a multi-level drug-protein network are studied, as well as how the network's shape has informed discoveries over the years, identifying primarily crawling discoveries and a smaller number of…

Molecular Networks · Quantitative Biology 2026-03-02 Felipe Bivort Haiek

In this work we present a new methodology to study the structure of the configuration spaces of hard combinatorial problems. It consists in building the network that has as nodes the locally optimal configurations and as edges the weighted…

Neural and Evolutionary Computing · Computer Science 2012-07-19 Fabio Daolio , Marco Tomassini , Sébastien Verel , Gabriela Ochoa

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

Despite recent advances in representation learning in hypercomplex (HC) space, this subject is still vastly unexplored in the context of graphs. Motivated by the complex and quaternion algebras, which have been found in several contexts to…

Machine Learning · Computer Science 2022-02-22 Tuan Le , Marco Bertolini , Frank Noé , Djork-Arné Clevert

Systematic relations between multiple objects that occur in various fields can be represented as networks. Real-world networks typically exhibit complex topologies whose structural properties are key factors in characterizing and further…

Physics and Society · Physics 2021-04-09 Yoshihisa Tanaka , Ryosuke Kojima , Shoichi Ishida , Fumiyoshi Yamashita , Yasushi Okuno

Higher order networks are able to characterize data as different as functional brain networks, protein interaction networks and social networks beyond the framework of pairwise interactions. Most notably higher order networks include…

Disordered Systems and Neural Networks · Physics 2018-11-26 Daan Mulder , Ginestra Bianconi

Large, complex networks are ubiquitous in nature and society, and there is great interest in developing rigorous, scalable methods for identifying and characterizing their vulnerabilities. This paper presents an approach for analyzing the…

Dynamical Systems · Mathematics 2010-12-30 Richard Colbaugh , Kristin Glass

Network or graph structures are ubiquitous in the study of complex systems. Often, we are interested in complexity trends of these system as it evolves under some dynamic. An example might be looking at the complexity of a food web as…

Information Theory · Computer Science 2012-01-23 Russell K. Standish