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Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful…

Machine Learning · Statistics 2024-11-08 Mauricio Velasco , Kaiying O'Hare , Bernardo Rychtenberg , Soledad Villar

Geological Carbon Sequestration (GCS) has emerged as a promising strategy for mitigating global warming, yet its effectiveness heavily depends on accurately characterizing subsurface flow dynamics. The inherent geological uncertainty,…

Geophysics · Physics 2025-08-26 Zhao Feng , Xin-Yang Liu , Meet Hemant Parikh , Junyi Guo , Pan Du , Bicheng Yan , Jian-Xun Wang

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

Classifiers based on neural networks (NN) often lack a measure of uncertainty in the predicted class. We propose a method to estimate the probability mass function (PMF) of the different classes, as well as the covariance of the estimated…

Machine Learning · Computer Science 2024-10-28 Magnus Malmström , Isaac Skog , Daniel Axehill , Fredrik Gustafsson

Exploring the outer atmosphere of the sun has remained a significant bottleneck in astrophysics, given the intricate magnetic formations that significantly influence diverse solar events. Magnetohydrodynamics (MHD) simulations allow us to…

Solar and Stellar Astrophysics · Physics 2024-09-10 Yutao Du , Qin Li , Raghav Gnanasambandam , Mengnan Du , Haimin Wang , Bo Shen

In many real-world problems, there is a limited set of training data, but an abundance of unlabeled data. We propose a new method, Generative Posterior Networks (GPNs), that uses unlabeled data to estimate epistemic uncertainty in…

Machine Learning · Computer Science 2024-01-01 Melrose Roderick , Felix Berkenkamp , Fatemeh Sheikholeslami , Zico Kolter

Tasks related to Natural Language Processing (NLP) have recently been the focus of a large research endeavor by the machine learning community. The increased interest in this area is mainly due to the success of deep learning methods.…

Computation and Language · Computer Science 2020-04-30 Luca Manzoni , Domagoj Jakobovic , Luca Mariot , Stjepan Picek , Mauro Castelli

Bounded rationality investigates utility-optimizing decision-makers with limited information-processing power. In particular, information theoretic bounded rationality models formalize resource constraints abstractly in terms of relative…

Artificial Intelligence · Computer Science 2018-09-07 Heinke Hihn , Sebastian Gottwald , Daniel A. Braun

A grand challenge in machine learning is the development of computational algorithms that match or outperform humans in perceptual inference tasks that are complicated by nuisance variation. For instance, visual object recognition involves…

Machine Learning · Statistics 2015-04-03 Ankit B. Patel , Tan Nguyen , Richard G. Baraniuk

It has long been known that a single-layer fully-connected neural network with an i.i.d. prior over its parameters is equivalent to a Gaussian process (GP), in the limit of infinite network width. This correspondence enables exact Bayesian…

Developing machine learning enabled smart manufacturing is promising for composite structures assembly process. To improve production quality and efficiency of the assembly process, accurate predictive analysis on dimensional deviations and…

Machine Learning · Statistics 2020-11-24 Cheolhei Lee , Jianguo Wu , Wenjia Wang , Xiaowei Yue

Generative models have proven to be an outstanding tool for representing high-dimensional probability distributions and generating realistic-looking images. An essential characteristic of generative models is their ability to produce…

Machine Learning · Computer Science 2019-11-26 Mohamed Elfeki , Camille Couprie , Morgane Riviere , Mohamed Elhoseiny

Deep Learning (DL) has achieved great success in many real applications. Despite its success, there are some main problems when deploying advanced DL models in database systems, such as hyper-parameters tuning, the risk of overfitting, and…

Databases · Computer Science 2021-07-20 Kangfei Zhao , Jeffrey Xu Yu , Zongyan He , Hao Zhang

The usual figure of merit characterizing the performance of neural networks applied to problems in the quantum domain is their accuracy, being the probability of a correct answer on a previously unseen input. Here we append this parameter…

Quantum Physics · Physics 2022-12-29 Jan Wasilewski , Tomasz Paterek , Karol Horodecki

We introduce an efficient method for learning linear models from uncertain data, where uncertainty is represented as a set of possible variations in the data, leading to predictive multiplicity. Our approach leverages abstract…

Machine Learning · Computer Science 2024-05-30 Jiongli Zhu , Su Feng , Boris Glavic , Babak Salimi

Knowledge graph (KG) foundation models aim to generalize across graphs with unseen entities and relations by learning transferable relational structure. However, most existing methods primarily emphasize relation-level universality, while…

Artificial Intelligence · Computer Science 2026-05-15 Yisen Gao , Jiaxin Bai , Haoyu Huang , Zhongwei Xie , Yufei Li , Hong Ting Tsang , Sirui Han , Yangqiu Song

Recent work has shown that training wide neural networks with gradient descent is formally equivalent to computing the mean of the posterior distribution in a Gaussian Process (GP) with the Neural Tangent Kernel (NTK) as the prior…

Machine Learning · Computer Science 2024-09-11 Sergio Calvo-Ordoñez , Konstantina Palla , Kamil Ciosek

Neural networks are increasingly employed to model, analyze and control non-linear dynamical systems ranging from physics to biology. Owing to their universal approximation capabilities, they regularly outperform state-of-the-art…

Dynamical Systems · Mathematics 2023-12-27 Alessandro Corbetta , Thomas Geert de Jong

The study of neural operators has paved the way for the development of efficient approaches for solving partial differential equations (PDEs) compared with traditional methods. However, most of the existing neural operators lack the…

Machine Learning · Statistics 2024-04-25 Sawan Kumar , Rajdip Nayek , Souvik Chakraborty

Continuous input signals like images and time series that are irregularly sampled or have missing values are challenging for existing deep learning methods. Coherently defined feature representations must depend on the values in unobserved…

Machine Learning · Computer Science 2020-10-22 Marc Finzi , Roberto Bondesan , Max Welling