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Strategies to improve the predicting performance of Message-Passing Neural-Networks for molecular property predictions can be achieved by simplifying how the message is passed and by using descriptors that capture multiple aspects of…

Machine Learning · Computer Science 2025-10-22 Alma C. Castaneda-Leautaud , Rommie E. Amaro

I start by reviewing some basic properties of random graphs. I then consider the role of random walks in complex networks and show how they may be used to explain why so many long tailed distributions are found in real data sets. The key…

Statistical Mechanics · Physics 2012-12-11 T. S. Evans

We study linear filters for processing signals supported on abstract topological spaces modeled as simplicial complexes, which may be interpreted as generalizations of graphs that account for nodes, edges, triangular faces etc. To process…

Signal Processing · Electrical Eng. & Systems 2024-02-21 Maosheng Yang , Elvin Isufi , Michael T. Schaub , Geert Leus

We study the approximation properties of convolutional architectures applied to time series modelling, which can be formulated mathematically as a functional approximation problem. In the recurrent setting, recent results reveal an…

Machine Learning · Computer Science 2021-07-21 Haotian Jiang , Zhong Li , Qianxiao Li

Percolation theory allows simple description of the phase transition based on the scaling properties of the network clusters with respect to a single parameter - site or bond occupation probability. How to design a network exhibiting the…

Quantum Physics · Physics 2020-03-19 Michael Siomau

It appeared recently that the classical random graph model used to represent real-world complex networks does not capture their main properties. Since then, various attempts have been made to provide accurate models. We study here a model…

Statistical Mechanics · Physics 2021-03-22 Jean-Loup Guillaume , Matthieu Latapy

Analyzing embedded simplicial complexes, such as triangular meshes and graphs, is an important problem in many fields. We propose a new approach for analyzing embedded simplicial complexes in a subdivision-invariant and isometry-invariant…

Machine Learning · Computer Science 2023-02-28 Taejin Paik

We provide a characterization of two types of directed homology for fully-connected, feedforward neural network architectures. These exact characterizations of the directed homology structure of a neural network architecture are the first…

Algebraic Topology · Mathematics 2020-03-03 Samir Chowdhury , Thomas Gebhart , Steve Huntsman , Matvey Yutin

Hypergraphs have seen widespread application in network and data science communities in recent years. We present a survey of recent work to construct auxiliary structures from hypergraphs -- specifically simplicial, relative, and chain…

Algebraic Topology · Mathematics 2025-10-14 Ellen Gasparovic , Emilie Purvine , Radmila Sazdanovic , Bei Wang , Yusu Wang , Lori Ziegelmeier

We produce combinatorial models for configuration space in a simplicial complex, and for configurations near a single point ("local configuration space.") The model for local configuration space is built out of the poset of poset structures…

Algebraic Topology · Mathematics 2019-04-16 John D. Wiltshire-Gordon

We perform an empirical study of the behaviour of deep networks when fully linearizing some of its feature channels through a sparsity prior on the overall number of nonlinear units in the network. In experiments on image classification and…

Machine Learning · Computer Science 2023-06-02 Christian H. X. Ali Mehmeti-Göpel , Jan Disselhoff

We present a general variational framework for the training of freeform nonlinearities in layered computational architectures subject to some slope constraints. The regularization that we add to the traditional training loss penalizes the…

Machine Learning · Statistics 2025-03-31 Michael Unser , Alexis Goujon , Stanislas Ducotterd

Expressivity plays a fundamental role in evaluating deep neural networks, and it is closely related to understanding the limit of performance improvement. In this paper, we propose a three-pipeline training framework based on critical…

Machine Learning · Computer Science 2020-12-17 Gege Zhang

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 introduce a mechanism which models the emergence of the universal properties of complex networks, such as scale independence, modularity and self-similarity, and unifies them under a scale-free organization beyond the link. This brings a…

This paper presents the foundational ideas for a new way of modeling social aggregation. Traditional approaches have been using network theory, and the theory of random networks. Under that paradigm, every social agent is represented by a…

Computational Engineering, Finance, and Science · Computer Science 2007-05-23 Mirco A. Mannucci , Lisa Sparks , Daniele C. Struppa

ReLU neural networks define piecewise linear functions of their inputs. However, initializing and training a neural network is very different from fitting a linear spline. In this paper, we expand empirically upon previous theoretical work…

Machine Learning · Statistics 2016-11-30 Kevin K. Chen , Anthony Gamst , Alden Walker

We introduce a flexible setup allowing for a neural network to learn both its size and topology during the course of a standard gradient-based training. The resulting network has the structure of a graph tailored to the particular learning…

Machine Learning · Computer Science 2020-07-16 Romuald A. Janik , Aleksandra Nowak

The myriad complex systems with multiway interactions motivate the extension of graph-based pairwise connections to higher-order relations. In particular, the simplicial complex has inspired generalizations of graph neural networks (GNNs)…

Machine Learning · Statistics 2023-09-15 Madeline Navarro , Santiago Segarra

Motivated by results of Henry, Pralat and Zhang (PNAS 108.21 (2011): 8605-8610), we propose a general scheme for evolving spatial networks in order to reduce their total edge lengths. We study the properties of the equilbria of two networks…

Physics and Society · Physics 2014-07-17 Chris Varghese , Rick Durrett