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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…

机器学习 · 计算机科学 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…

统计力学 · 物理学 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…

信号处理 · 电气工程与系统科学 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…

机器学习 · 计算机科学 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…

量子物理 · 物理学 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…

统计力学 · 物理学 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…

机器学习 · 计算机科学 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…

代数拓扑 · 数学 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…

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…

代数拓扑 · 数学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算工程、金融与科学 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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)…

机器学习 · 统计学 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…

物理与社会 · 物理学 2014-07-17 Chris Varghese , Rick Durrett