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As proteins with similar structures often have similar functions, analysis of protein structures can help predict protein functions and is thus important. We consider the problem of protein structure classification, which computationally…

Machine Learning · Statistics 2019-10-08 Hongyu Guo , Khalique Newaz , Scott Emrich , Tijana Milenkovic , Jun Li

Spectral-based graph neural networks (SGNNs) have been attracting increasing attention in graph representation learning. However, existing SGNNs are limited in implementing graph filters with rigid transforms (e.g., graph Fourier or…

Machine Learning · Computer Science 2022-01-05 Mingxing Xu , Wenrui Dai , Chenglin Li , Junni Zou , Hongkai Xiong , Pascal Frossard

We study Graph Convolutional Networks (GCN) from the graph signal processing viewpoint by addressing a difference between learning graph filters with fully connected weights versus trainable polynomial coefficients. We find that by stacking…

Machine Learning · Computer Science 2020-11-24 Hoang NT , Takanori Maehara , Tsuyoshi Murata

Recently, graph neural networks (GNNs) have shown prominent performance in graph representation learning by leveraging knowledge from both graph structure and node features. However, most of them have two major limitations. First, GNNs can…

Machine Learning · Computer Science 2022-06-20 Wentao Zhang , Zeang Sheng , Mingyu Yang , Yang Li , Yu Shen , Zhi Yang , Bin Cui

Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due…

Machine Learning · Computer Science 2018-06-26 Jiaxuan You , Rex Ying , Xiang Ren , William L. Hamilton , Jure Leskovec

Graph Neural Networks (GNNs) have shown great power in learning node representations on graphs. However, they may inherit historical prejudices from training data, leading to discriminatory bias in predictions. Although some work has…

Machine Learning · Computer Science 2022-06-13 Yu Wang , Yuying Zhao , Yushun Dong , Huiyuan Chen , Jundong Li , Tyler Derr

Many studies have shown that we can gain additional information on time series by investigating their accompanying complex networks. In this work, we investigate the fundamental topological and fractal properties of recurrence networks…

Statistical Mechanics · Physics 2015-06-19 Jin-Long Liu , Zu-Guo Yu , Vo Anh

We propose a novel stochastic network model, called Fractal Gaussian Network (FGN), that embodies well-defined and analytically tractable fractal structures. Such fractal structures have been empirically observed in diverse applications.…

Machine Learning · Statistics 2022-01-14 Subhroshekhar Ghosh , Krishnakumar Balasubramanian , Xiaochuan Yang

The fundamental problem in short-text classification is \emph{feature sparseness} -- the lack of feature overlap between a trained model and a test instance to be classified. We propose \emph{ClassiNet} -- a network of classifiers trained…

Computation and Language · Computer Science 2018-04-17 Danushka Bollegala , Vincent Atanasov , Takanori Maehara , Ken-ichi Kawarabayashi

A machine learning (ML) feature network is a graph that connects ML features in learning tasks based on their similarity. This network representation allows us to view feature vectors as functions on the network. By leveraging function…

Machine Learning · Statistics 2024-01-11 Xinying Mu , Mark Kon

Feature learning, or the ability of deep neural networks to automatically learn relevant features from raw data, underlies their exceptional capability to solve complex tasks. However, feature learning seems to be realized in different ways…

Machine Learning · Computer Science 2023-07-25 R. Aiudi , R. Pacelli , A. Vezzani , R. Burioni , P. Rotondo

We present a unified theoretical framework connecting the first property of Deep Neural Collapse (DNC1) to the emergence of implicit low-rank bias in nonlinear networks trained with $L^2$ weight decay regularization. Our main contributions…

Machine Learning · Computer Science 2026-02-12 Emanuele Zangrando , Piero Deidda , Simone Brugiapaglia , Nicola Guglielmi , Francesco Tudisco

Connectivity structure shapes neural computation, but inferring this structure from population recordings is degenerate: multiple connectivity structures can generate identical dynamics. Recent work uses low-rank recurrent neural networks…

Neurons and Cognition · Quantitative Biology 2026-03-30 Timothy Doyeon Kim , Ulises Pereira-Obilinovic , Yiliu Wang , Eric Shea-Brown , Uygar Sümbül

Numerous social, medical, engineering and biological challenges can be framed as graph-based learning tasks. Here, we propose a new feature based approach to network classification. We show how dynamics on a network can be useful to reveal…

Machine Learning · Statistics 2017-06-01 Leonardo Gutierrez Gomez , Benjamin Chiem , Jean-Charles Delvenne

Maximum entropy null models of networks come in different flavors that depend on the type of constraints under which entropy is maximized. If the constraints are on degree sequences or distributions, we are dealing with configuration…

Physics and Society · Physics 2020-10-30 Ivan Voitalov , Pim van der Hoorn , Maksim Kitsak , Fragkiskos Papadopoulos , Dmitri Krioukov

Scaling factors in residual branches have emerged as a prevalent method for boosting neural network performance, especially in normalization-free architectures. While prior work has primarily examined scaling effects from an optimization…

Machine Learning · Computer Science 2026-05-26 Zixiong Yu , Guhan Chen , Jianfa Lai , Bohan Li , Songtao Tian

Probabilistic graphical models provide a powerful tool to describe complex statistical structure, with many real-world applications in science and engineering from controlling robotic arms to understanding neuronal computations. A major…

Artificial Intelligence · Computer Science 2023-05-04 Yicheng Fei , Xaq Pitkow

A fundamental problem associated with the task of network reconstruction from dynamical or behavioral data consists in determining the most appropriate model complexity in a manner that prevents overfitting, and produces an inferred network…

Machine Learning · Statistics 2025-03-24 Tiago P. Peixoto

While deep learning is successful in a number of applications, it is not yet well understood theoretically. A satisfactory theoretical characterization of deep learning however, is beginning to emerge. It covers the following questions: 1)…

Machine Learning · Computer Science 2019-08-27 Tomaso Poggio , Andrzej Banburski , Qianli Liao

Most of the successful deep neural network architectures are structured, often consisting of elements like convolutional neural networks and gated recurrent neural networks. Recently, graph neural networks have been successfully applied to…

Machine Learning · Computer Science 2019-06-04 Zhen Zhang , Fan Wu , Wee Sun Lee