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For the problem of inferring a Gaussian graphical model (GGM), this work explores the application of a recent approach from the multiple testing literature for graph inference. The main idea of the method by Rebafka et al. (2022) is to…

Methodology · Statistics 2024-03-01 Valentin Kilian , Tabea Rebafka , Fanny Villers

Stochastic gradient descent (SGD) is a pillar of modern machine learning, serving as the go-to optimization algorithm for a diverse array of problems. While the empirical success of SGD is often attributed to its computational efficiency…

Machine Learning · Statistics 2022-06-16 Courtney Paquette , Elliot Paquette , Ben Adlam , Jeffrey Pennington

Generative modeling of graphs with spatial structure is essential across many applications from computer graphics to spatial genomics. Recent flow-based generative models have achieved impressive results by gradually adding and then…

Machine Learning · Computer Science 2025-07-15 Peter Pao-Huang , Mitchell Black , Xiaojie Qiu

We showcase important features of the dynamics of the Stochastic Gradient Descent (SGD) in the training of neural networks. We present empirical observations that commonly used large step sizes (i) lead the iterates to jump from one side of…

Machine Learning · Computer Science 2023-06-08 Maksym Andriushchenko , Aditya Varre , Loucas Pillaud-Vivien , Nicolas Flammarion

Deep learning models have been shown to outperform methods that rely on summary statistics, like the power spectrum, in extracting information from complex cosmological data sets. However, due to differences in the subgrid physics…

Cosmology and Nongalactic Astrophysics · Physics 2024-04-16 Andrea Roncoli , Aleksandra Ćiprijanović , Maggie Voetberg , Francisco Villaescusa-Navarro , Brian Nord

Learning representations for graphs plays a critical role in a wide spectrum of downstream applications. In this paper, we summarize the limitations of the prior works in three folds: representation space, modeling dynamics and modeling…

Machine Learning · Computer Science 2021-04-07 Li Sun , Zhongbao Zhang , Jiawei Zhang , Feiyang Wang , Hao Peng , Sen Su , Philip S. Yu

Gaussian Graphical Models (GGMs) are popular tools for studying network structures. However, many modern applications such as gene network discovery and social interactions analysis often involve high-dimensional noisy data with outliers or…

Machine Learning · Statistics 2015-10-30 Eunho Yang , Aurélie C. Lozano

Graph Neural Networks (GNNs) have recently been explored as surrogate models for numerical simulations. While their applications in computational fluid dynamics have been investigated, little attention has been given to structural problems,…

Machine Learning · Computer Science 2025-10-30 Alessandro Lucchetti , Francesco Cadini , Marco Giglio , Luca Lomazzi

Capturing semantic consistency among nodes is crucial for effective graph representation learning. Existing approaches typically rely on $k$-nearest neighbors ($k$NN) or other node-level full search algorithms (FSA) to mine semantic…

Artificial Intelligence · Computer Science 2026-05-06 Genhao Tian , Taihua Xu , Shuyin Xia , Qinghua Zhang , Jie Yang , Jianjun Chen

One crucial factor behind the success of deep learning lies in the implicit bias induced by noise inherent in gradient-based training algorithms. Motivated by empirical observations that training with noisy labels improves model…

Machine Learning · Computer Science 2026-03-12 Tongcheng Zhang , Zhanpeng Zhou , Mingze Wang , Andi Han , Wei Huang , Taiji Suzuki , Junchi Yan

Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using…

Machine Learning · Computer Science 2023-09-20 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Clayton M. Rabideau , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

The effectiveness of Spatio-temporal Graph Neural Networks (STGNNs) in time-series applications is often limited by their dependence on fixed, hand-crafted input graph structures. Motivated by insights from the Topological Data Analysis…

Machine Learning · Computer Science 2025-03-20 Viet The Nguyen , Duy Anh Pham , An Thai Le , Jans Peter , Gunther Gust

Modern implicit generative models such as generative adversarial networks (GANs) are generally known to suffer from issues such as instability, uninterpretability, and difficulty in assessing their performance. If we see these implicit…

Machine Learning · Statistics 2019-11-05 Arash Mehrjou , Wittawat Jitkrittum , Krikamol Muandet , Bernhard Schölkopf

Modern implicit generative models such as generative adversarial networks (GANs) are generally known to suffer from issues such as instability, uninterpretability, and difficulty in assessing their performance. If we see these implicit…

Machine Learning · Computer Science 2019-11-07 Arash Mehrjou , Wittawat Jitkrittum , Krikamol Muandet , Bernhard Schölkopf

The stochastic gradient descent (SGD) algorithm is the algorithm we use to train neural networks. However, it remains poorly understood how the SGD navigates the highly nonlinear and degenerate loss landscape of a neural network. In this…

Machine Learning · Computer Science 2025-06-13 Liu Ziyin , Hongchao Li , Masahito Ueda

Spatial-temporal graph modeling is an important task to analyze the spatial relations and temporal trends of components in a system. Existing approaches mostly capture the spatial dependency on a fixed graph structure, assuming that the…

Machine Learning · Computer Science 2019-06-04 Zonghan Wu , Shirui Pan , Guodong Long , Jing Jiang , Chengqi Zhang

Estimating the gradients of stochastic nodes in stochastic computational graphs is one of the crucial research questions in the deep generative modeling community, which enables the gradient descent optimization on neural network…

Machine Learning · Computer Science 2023-02-23 Weonyoung Joo , Dongjun Kim , Seungjae Shin , Il-Chul Moon

Numerous models for supervised and reinforcement learning benefit from combinations of discrete and continuous model components. End-to-end learnable discrete-continuous models are compositional, tend to generalize better, and are more…

Machine Learning · Computer Science 2023-07-27 David Friede , Mathias Niepert

Graph Neural Networks (GNNs) have received increasing attention in many fields. However, due to the lack of prior graphs, their use for semantic labeling has been limited. Here, we propose a novel architecture called the Self-Constructing…

Computer Vision and Pattern Recognition · Computer Science 2020-04-24 Qinghui Liu , Michael Kampffmeyer , Robert Jenssen , Arnt-Børre Salberg