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Deep directed generative models have attracted much attention recently due to their expressive representation power and the ability of ancestral sampling. One major difficulty of learning directed models with many latent variables is the…

Machine Learning · Computer Science 2015-06-16 Siqi Nie , Qiang Ji

Neural-network-based machine learning interatomic potentials have emerged as powerful tools for predicting atomic energies and forces, enabling accurate and efficient simulations in atomistic modeling. A key limitation of traditional deep…

Chemical Physics · Physics 2025-09-24 Riccardo Farris , Emanuele Telari , Nongnuch Artrith , Konstantin Neyman , Albert Bruix

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

Invariant and equivariant networks have been successfully used for learning images, sets, point clouds, and graphs. A basic challenge in developing such networks is finding the maximal collection of invariant and equivariant linear layers.…

Machine Learning · Computer Science 2019-05-01 Haggai Maron , Heli Ben-Hamu , Nadav Shamir , Yaron Lipman

In this paper, we develop a theory about the relationship between $G$-invariant/equivariant functions and deep neural networks for finite group $G$. Especially, for a given $G$-invariant/equivariant function, we construct its universal…

Machine Learning · Computer Science 2019-09-27 Akiyoshi Sannai , Yuuki Takai , Matthieu Cordonnier

Equivariance of linear neural network layers is well studied. In this work, we relax the equivariance condition to only be true in a projective sense. We propose a way to construct a projectively equivariant neural network through building…

Computer Vision and Pattern Recognition · Computer Science 2023-12-21 Georg Bökman , Axel Flinth , Fredrik Kahl

How well does a classic deep net architecture like AlexNet or VGG19 classify on a standard dataset such as CIFAR-10 when its width --- namely, number of channels in convolutional layers, and number of nodes in fully-connected internal…

Machine Learning · Computer Science 2019-11-05 Sanjeev Arora , Simon S. Du , Wei Hu , Zhiyuan Li , Ruslan Salakhutdinov , Ruosong Wang

Uncertainty estimation in deep learning has become a leading research field in medical image analysis due to the need for safe utilisation of AI algorithms in clinical practice. Most approaches for uncertainty estimation require sampling…

Image and Video Processing · Electrical Eng. & Systems 2022-04-12 Kaisar Kushibar , Víctor Manuel Campello , Lidia Garrucho Moras , Akis Linardos , Petia Radeva , Karim Lekadir

Neural network (NN) ensembles can reduce large prediction variance of NN and improve prediction accuracy. For highly nonlinear problems with insufficient data set, the prediction accuracy of NN models becomes unstable, resulting in a…

Machine Learning · Computer Science 2022-10-20 Ungki Lee , Namwoo Kang

Training data-driven turbulence models with high fidelity Reynolds stress can be impractical and recently such models have been trained with velocity and pressure measurements. For gradient-based optimization, such as training deep learning…

Fluid Dynamics · Physics 2021-04-19 Carlos A. Michelén Ströfer , Xin-Lei Zhang , Heng Xiao

Equivariant neural networks provide a principled framework for incorporating symmetry into learning architectures and have been extensively analyzed through the lens of their separation power, that is, the ability to distinguish inputs…

Machine Learning · Computer Science 2026-02-04 Marco Pacini , Gabriele Santin , Bruno Lepri , Shubhendu Trivedi

Motivated by the flexibility of biological neural networks whose connectivity structure changes significantly during their lifetime, we introduce the Unstructured Recursive Network (URN) and demonstrate that it can exhibit similar…

Machine Learning · Computer Science 2019-11-27 Siavash Golkar

Multivariate time series anomaly detection is a very common problem in the field of failure prevention. Fast prevention means lower repair costs and losses. The amount of sensors in novel industry systems makes the anomaly detection process…

Machine Learning · Computer Science 2021-11-24 Kamil Faber , Dominik Żurek , Marcin Pietroń , Kamil Piętak

Due to the dominant position of deep learning (mostly deep neural networks) in various artificial intelligence applications, recently, ensemble learning based on deep neural networks (ensemble deep learning) has shown significant…

Machine Learning · Computer Science 2022-11-07 Yongquan Yang , Haijun Lv , Ning Chen

We prove edge universality of local eigenvalue statistics for orthogonal invariant matrix models with real analytic potentials and one interval limiting spectrum. Our starting point is the result of \cite{S:08} on the representation of the…

Mathematical Physics · Physics 2015-05-13 Maria Shcherbina

Modern deep neural networks can produce badly calibrated predictions, especially when train and test distributions are mismatched. Training an ensemble of models and averaging their predictions can help alleviate these issues. We propose a…

Machine Learning · Computer Science 2020-07-09 Asa Cooper Stickland , Iain Murray

Group Equivariant Convolutions (GConvs) enable convolutional neural networks to be equivariant to various transformation groups, but at an additional parameter and compute cost. We investigate the filter parameters learned by GConvs and…

Computer Vision and Pattern Recognition · Computer Science 2021-06-10 Attila Lengyel , Jan C. van Gemert

Understanding and quantifying uncertainty in black box Neural Networks (NNs) is critical when deployed in real-world settings such as healthcare. Recent works using Bayesian and non-Bayesian methods have shown how a unified predictive…

Machine Learning · Computer Science 2020-09-29 Utkarsh Sarawgi , Wazeer Zulfikar , Rishab Khincha , Pattie Maes

It has been shown that deep learning models can under certain circumstances outperform traditional statistical methods at forecasting. Furthermore, various techniques have been developed for quantifying the forecast uncertainty (prediction…

Machine Learning · Computer Science 2021-10-08 Thabang Mathonsi , Terence L. van Zyl

A biological neural network in the cortex forms a neural field. Neurons in the field have their own receptive fields, and connection weights between two neurons are random but highly correlated when they are in close proximity in receptive…

Machine Learning · Computer Science 2023-01-10 Kaito Watanabe , Kotaro Sakamoto , Ryo Karakida , Sho Sonoda , Shun-ichi Amari