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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

Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

Biomolecules · Quantitative Biology 2024-05-10 Ian Dunn , David Ryan Koes

Graph neural networks (GNNs) appear to be powerful tools to learn state representations for agents in distributed, decentralized multi-agent systems, but generate catastrophically incorrect predictions when nodes update asynchronously…

Machine Learning · Computer Science 2025-07-23 Olga Solodova , Nick Richardson , Deniz Oktay , Ryan P. Adams

Two of the most popular modelling paradigms in computer vision are feed-forward neural networks (FFNs) and probabilistic graphical models (GMs). Various connections between the two have been studied in recent works, such as e.g. expressing…

Machine Learning · Statistics 2017-10-31 Dmitrij Schlesinger

We propose a novel class of neural network-like parametrized functions, i.e., general transformation neural networks (GTNNs), for high-dimensional approximation. Conventional deep neural networks sometimes perform less accurately on…

Numerical Analysis · Mathematics 2026-02-25 Xiaoyang Wang , Yiqi Gu

Deep neural networks (DNNs) are powerful black-box predictors that have achieved impressive performance on a wide variety of tasks. However, their accuracy comes at the cost of intelligibility: it is usually unclear how they make their…

Machine Learning · Computer Science 2021-10-26 Rishabh Agarwal , Levi Melnick , Nicholas Frosst , Xuezhou Zhang , Ben Lengerich , Rich Caruana , Geoffrey Hinton

Deep neural networks (DNN) have achieved unprecedented performance in computer-vision tasks almost ubiquitously in business, technology, and science. While substantial efforts are made to engineer highly accurate architectures and provide…

Image and Video Processing · Electrical Eng. & Systems 2022-09-08 Sumedha Singla

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

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample…

Machine Learning · Computer Science 2022-10-12 Andrew Dudzik , Petar Veličković

Graph Neural Networks (GNNs) have achieved notable success in the analysis of non-Euclidean data across a wide range of domains. However, their applicability is constrained by the dependence on the observed graph structure. To solve this…

Machine Learning · Computer Science 2024-09-19 Ziyan Wang , Yaxuan He , Bin Liu

Self-explainable deep neural networks are a recent class of models that can output ante-hoc local explanations that are faithful to the model's reasoning, and as such represent a step forward toward filling the gap between expressiveness…

Machine Learning · Computer Science 2023-08-30 Marc Christiansen , Lea Villadsen , Zhiqiang Zhong , Stefano Teso , Davide Mottin

In this article, we investigate the existence of a deep neural network (DNN) capable of approximating solutions to partial integro-differential equations while circumventing the curse of dimensionality. Using the Feynman-Kac theorem, we…

Numerical Analysis · Mathematics 2025-01-22 Marcin Baranek

In the field of pattern recognition research, the method of using deep neural networks based on improved computing hardware recently attracted attention because of their superior accuracy compared to conventional methods. Deep neural…

Computer Vision and Pattern Recognition · Computer Science 2018-09-27 Kyongsik Yun , Alexander Huyen , Thomas Lu

Contemporary deep neural networks exhibit impressive results on practical problems. These networks generalize well although their inherent capacity may extend significantly beyond the number of training examples. We analyze this behavior in…

Machine Learning · Computer Science 2015-09-03 Tamir Hazan , Tommi Jaakkola

We show the existence of a deep neural network capable of approximating a wide class of high-dimensional approximations. The construction of the proposed neural network is based on a quasi-optimal polynomial approximation. We show that this…

Numerical Analysis · Mathematics 2019-12-09 Joseph Daws , Clayton Webster

Nearest neighbor (kNN) methods have been gaining popularity in recent years in light of advances in hardware and efficiency of algorithms. There is a plethora of methods to choose from today, each with their own advantages and…

Machine Learning · Computer Science 2017-03-01 Daniel Zoran , Balaji Lakshminarayanan , Charles Blundell

A neural network (NN) is a parameterised function that can be tuned via gradient descent to approximate a labelled collection of data with high precision. A Gaussian process (GP), on the other hand, is a probabilistic model that defines a…

Machine Learning · Computer Science 2018-07-05 Marta Garnelo , Jonathan Schwarz , Dan Rosenbaum , Fabio Viola , Danilo J. Rezende , S. M. Ali Eslami , Yee Whye Teh

Regression with non-Euclidean responses -- e.g., probability distributions, networks, symmetric positive-definite matrices, and compositions -- has become increasingly important in modern applications. In this paper, we propose deep…

Machine Learning · Statistics 2025-10-21 Kyum Kim , Yaqing Chen , Paromita Dubey

As deep neural networks (DNNs) become deeper, the training time increases. In this perspective, multi-GPU parallel computing has become a key tool in accelerating the training of DNNs. In this paper, we introduce a novel methodology to…

Numerical Analysis · Mathematics 2024-07-08 Chang-Ock Lee , Youngkyu Lee , Jongho Park

Graph Neural Networks (GNNs) have become a central tool for learning on graph-structured data, yet their applicability to real-world systems remains limited by key challenges such as scalability, temporality, directionality, data…

Machine Learning · Computer Science 2025-10-28 Emanuele Rossi
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