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Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains incomplete in the…

Machine Learning · Computer Science 2023-10-27 Xingyue Huang , Miguel Romero Orth , İsmail İlkan Ceylan , Pablo Barceló

Recurrent neural network architectures can have useful computational properties, with complex temporal dynamics and input-sensitive attractor states. However, evaluation of recurrent dynamic architectures requires solution of systems of…

Neural and Evolutionary Computing · Computer Science 2019-11-18 Dylan Richard Muir

Graph Neural Networks (GNNs) have achieved significant success in various learning tasks on graph-structured data. Nevertheless, most GNNs struggle to generalize to heterophilic neighborhoods. Additionally, many GNNs ignore the directional…

Machine Learning · Computer Science 2026-01-14 Aihu Zhang , Jiaxing Xu , Mengcheng Lan , Shili Xiang , Yiping Ke

The underspecification of most machine learning pipelines means that we cannot rely solely on validation performance to assess the robustness of deep learning systems to naturally occurring distribution shifts. Instead, making sure that a…

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

Cyclomatic complexity is an incompletely specified but mathematically principled software metric that can be usefully applied to both source and binary code. We consider the application of path homology as a stronger analogue of cyclomatic…

Software Engineering · Computer Science 2020-08-28 Steve Huntsman

Advanced deep neural networks (DNNs), designed by either human or AutoML algorithms, are growing increasingly complex. Diverse operations are connected by complicated connectivity patterns, e.g., various types of skip connections. Those…

Machine Learning · Computer Science 2022-10-13 Wuyang Chen , Wei Huang , Xinyu Gong , Boris Hanin , Zhangyang Wang

This paper is a cursory study on how topological features are preserved within the internal representations of neural network layers. Using techniques from topological data analysis, namely persistent homology, the topological features of a…

Machine Learning · Computer Science 2022-08-16 Archie Shahidullah

Designing a high-efficiency and high-quality expressive network architecture has always been the most important research topic in the field of deep learning. Most of today's network design strategies focus on how to integrate features…

Computer Vision and Pattern Recognition · Computer Science 2022-11-10 Chien-Yao Wang , Hong-Yuan Mark Liao , I-Hau Yeh

We introduce a convolutional neural network that operates directly on graphs. These networks allow end-to-end learning of prediction pipelines whose inputs are graphs of arbitrary size and shape. The architecture we present generalizes…

We study mechanisms to characterize how the asymptotic convergence of backpropagation in deep architectures, in general, is related to the network structure, and how it may be influenced by other design choices including activation type,…

Machine Learning · Computer Science 2017-03-02 Vamsi K Ithapu , Sathya N Ravi , Vikas Singh

Network comparison is a widely-used tool for analyzing complex systems, with applications in varied domains including comparison of protein interactions or highlighting changes in structure of trade networks. In recent years, a number of…

Social and Information Networks · Computer Science 2023-03-09 Miguel E. P. Silva , Robert E. Gaunt , Luis Ospina-Forero , Caroline Jay , Thomas House

Graph minors are a primary tool in understanding the structure of undirected graphs, with many conceptual and algorithmic implications. We propose new variants of \emph{directed graph minors} and \emph{directed graph embeddings}, by…

Discrete Mathematics · Computer Science 2019-05-30 Argyrios Deligkas , Reshef Meir

In this paper we introduce a novel family of attributed graphs for the purpose of shape discrimination. Our graphs typically arise from variations on the Mapper graph construction, which is an approximation of the Reeb graph for point cloud…

Algebraic Topology · Mathematics 2023-07-03 Justin Curry , Washington Mio , Tom Needham , Osman Berat Okutan , Florian Russold

Graph-structured data ubiquitously appears in science and engineering. Graph neural networks (GNNs) are designed to exploit the relational inductive bias exhibited in graphs; they have been shown to outperform other forms of neural networks…

Machine Learning · Computer Science 2021-02-03 Veronika Thost , Jie Chen

A ReLU neural network leads to a finite polyhedral decomposition of input space and a corresponding finite dual graph. We show that while this dual graph is a coarse quantization of input space, it is sufficiently robust that it can be…

Algebraic Topology · Mathematics 2023-07-03 Yajing Liu , Christina M Cole , Chris Peterson , Michael Kirby

Deep neural networks are highly expressive models that have recently achieved state of the art performance on speech and visual recognition tasks. While their expressiveness is the reason they succeed, it also causes them to learn…

Computer Vision and Pattern Recognition · Computer Science 2014-02-20 Christian Szegedy , Wojciech Zaremba , Ilya Sutskever , Joan Bruna , Dumitru Erhan , Ian Goodfellow , Rob Fergus

The topology of artificial neural networks has a significant effect on their performance. Characterizing efficient topology is a field of promising research in Artificial Intelligence. However, it is not a trivial task and it is mainly…

Neural and Evolutionary Computing · Computer Science 2022-05-23 Fabien Furfaro , Avner Bar-Hen , Geoffroy Berthelot

Deep learning methods have demonstrated outstanding performances on classification and regression tasks on homogeneous data types (e.g., image, audio, and text data). However, tabular data still pose a challenge, with classic machine…

Machine Learning · Computer Science 2023-11-15 Antonio Briola , Yuanrong Wang , Silvia Bartolucci , Tomaso Aste

Persistent homology, a technique from computational topology, has recently shown strong empirical performance in the context of graph classification. Being able to capture long range graph properties via higher-order topological features,…

Machine Learning · Computer Science 2024-12-20 Rubén Ballester , Bastian Rieck