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Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

In this paper we provide explicit upper bounds on some distances between the (law of the) output of a random Gaussian NN and (the law of) a random Gaussian vector. Our results concern both shallow random Gaussian neural networks with…

We consider sparseness properties of adaptive time-frequency representations obtained using nonstationary Gabor frames (NSGFs). NSGFs generalize classical Gabor frames by allowing for adaptivity in either time or frequency. It is known that…

Functional Analysis · Mathematics 2018-01-03 Emil Solsbæk Ottosen , Morten Nielsen

Expectation Propagation (EP) provides a framework for approximate inference. When the model under consideration is over a latent Gaussian field, with the approximation being Gaussian, we show how these approximations can systematically be…

Machine Learning · Statistics 2013-10-28 Manfred Opper , Ulrich Paquet , Ole Winther

Filtering is a general name for inferring the states of a dynamical system given observations. The most common filtering approach is Gaussian Filtering (GF) where the distribution of the inferred states is a Gaussian whose mean is an affine…

Signal Processing · Electrical Eng. & Systems 2018-11-21 Arash Mehrjou , Bernhard Schölkopf

We perform spectral energy distribution (SED) fitting to 711 luminous X-ray AGN at 0.7 < z < 4.5 using 10-bands of optical and infra-red photometric data for objects within XMM-SERVS. This fitting provided 510 reliable (reduced $\chi ^2 <…

Astrophysics of Galaxies · Physics 2022-07-27 Adam Marshall , Matthew W. Auger-Williams , Manda Banerji , Roberto Maiolino , Rebecca Bowler

Dense suspensions often exhibit shear thickening, characterized by a dramatic increase in viscosity under large external forcing. This behavior has recently been linked to the formation of a system-spanning frictional contact network (FCN),…

Soft Condensed Matter · Physics 2025-02-04 Armin Aminimajd , Joao Maia , Abhinendra Singh

A novel technique to optimize the input distribution and compute a lower bound for the capacity of the nonlinear optical fiber channel is proposed. The technique improves previous bounds obtained with the additive white Gaussian noise…

Information Theory · Computer Science 2021-06-09 Stella Civelli , Enrico Forestieri , Alexey Lotsmanov , Dmitry Razdoburdin , Marco Secondini

Equivariant Graph Neural Networks (GNNs) have significantly advanced the modeling of 3D molecular structure by leveraging group representations. However, their message passing, heavily relying on Clebsch-Gordan tensor product convolutions,…

Machine Learning · Computer Science 2025-09-30 Junyi An , Xinyu Lu , Chao Qu , Yunfei Shi , Peijia Lin , Qianwei Tang , Licheng Xu , Fenglei Cao , Yuan Qi

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

Machine Learning · Computer Science 2023-09-01 Guanyu Cui , Zhewei Wei

Gaussian network model (GNM) is one of the most accurate and efficient methods for biomolecular flexibility analysis. However, the systematic generalization of the GNM has been elusive. We show that the GNM Kirchhoff matrix can be built…

Biomolecules · Quantitative Biology 2015-03-23 Kelin Xia , Kristopher Opron , Guo-Wei Wei

This work studies the global convergence and implicit bias of Gauss Newton's (GN) when optimizing over-parameterized one-hidden layer networks in the mean-field regime. We first establish a global convergence result for GN in the…

Machine Learning · Computer Science 2023-12-13 Michael Arbel , Romain Menegaux , Pierre Wolinski

Graph Neural Networks (GNNs) are powerful machine learning prediction models on graph-structured data. However, GNNs lack rigorous uncertainty estimates, limiting their reliable deployment in settings where the cost of errors is…

Machine Learning · Computer Science 2023-11-01 Kexin Huang , Ying Jin , Emmanuel Candès , Jure Leskovec

Development of experimental techniques at nanoscale resulted in ability to perform spectroscopic measurements on single-molecule current carrying junctions. These experiments are natural meeting point for research fields of optical…

Mesoscale and Nanoscale Physics · Physics 2025-02-20 Haoran Sun , Upendra Harbola , Shaul Mukamel , Michael Galperin

We consider a model nondispersive nonlinear optical fiber channel with additive white Gaussian noise at large $\mathrm{SNR}$ (signal-to-noise ratio) in the intermediate power region. Using Feynman path-integral technique we for the first…

Information Theory · Computer Science 2016-05-06 I. S. Terekhov , A. V. Reznichenko , Ya. A. Kharkov , S. K. Turitsyn

Networks are ubiquitous in the real world. Link prediction, as one of the key problems for network-structured data, aims to predict whether there exists a link between two nodes. The traditional approaches are based on the explicit…

Machine Learning · Computer Science 2021-06-01 Wei Wu , Bin Li , Chuan Luo , Wolfgang Nejdl

We propose a novel sparse spectrum approximation of Gaussian process (GP) tailored for Bayesian optimization. Whilst the current sparse spectrum methods provide desired approximations for regression problems, it is observed that this…

Machine Learning · Computer Science 2020-06-09 Ang Yang , Cheng Li , Santu Rana , Sunil Gupta , Svetha Venkatesh

Channel modeling is a critical topic when considering designing, learning, or evaluating the performance of any communications system. Most prior work in designing or learning new modulation schemes has focused on using highly simplified…

Machine Learning · Computer Science 2018-08-22 Timothy J. O'Shea , Tamoghna Roy , Nathan West

A graphical model is a structured representation of locally dependent random variables. A traditional method to reason over these random variables is to perform inference using belief propagation. When provided with the true data generating…

Machine Learning · Computer Science 2021-03-17 Victor Garcia Satorras , Max Welling

Uncertainty propagation in non-linear dynamical systems has become a key problem in various fields including control theory and machine learning. In this work we focus on discrete-time non-linear stochastic dynamical systems. We present a…

Systems and Control · Electrical Eng. & Systems 2024-09-12 Eduardo Figueiredo , Andrea Patane , Morteza Lahijanian , Luca Laurenti