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Graph Neural Networks (GNN) provide a powerful framework that elegantly integrates Graph theory with Machine learning for modeling and analysis of networked data. We consider the problem of quantifying the uncertainty in predictions of GNN…

机器学习 · 计算机科学 2022-05-23 Sai Munikoti , Deepesh Agarwal , Laya Das , Balasubramaniam Natarajan

Probabilistic predictions from neural networks which account for predictive uncertainty during classification is crucial in many real-world and high-impact decision making settings. However, in practice most datasets are trained on…

机器学习 · 计算机科学 2022-09-30 Satya Borgohain , Klaus Ackermann , Ruben Loaiza-Maya

Quantifying predictive uncertainty of neural networks has recently attracted increasing attention. In this work, we focus on measuring uncertainty of graph neural networks (GNNs) for the task of node classification. Most existing GNNs model…

机器学习 · 计算机科学 2023-04-04 Zhao Xu , Carolin Lawrence , Ammar Shaker , Raman Siarheyeu

Influenza is an infectious disease with the potential to become a pandemic, and hence, forecasting its prevalence is an important undertaking for planning an effective response. Research has found that web search activity can be used to…

机器学习 · 计算机科学 2021-05-27 Michael Morris , Peter Hayes , Ingemar J. Cox , Vasileios Lampos

Quantized deep neural networks (QDNNs) are necessary for low-power, high throughput, and embedded applications. Previous studies mostly focused on developing optimization methods for the quantization of given models. However, quantization…

机器学习 · 计算机科学 2020-06-02 Yoonho Boo , Sungho Shin , Wonyong Sung

We develop a novel deep learning method for uncertainty quantification in stochastic partial differential equations based on Bayesian neural network (BNN) and Hamiltonian Monte Carlo (HMC). A BNN efficiently learns the posterior…

机器学习 · 统计学 2022-10-24 Jeahan Jung , Minseok Choi

Bayesian inference promises a framework for principled uncertainty quantification of neural network predictions. Barriers to adoption include the difficulty of fully characterizing posterior distributions on network parameters and the…

机器学习 · 统计学 2025-01-22 Katharine Fisher , Youssef Marzouk

Bayesian neural networks (BNNs) have been long considered an ideal, yet unscalable solution for improving the robustness and the predictive uncertainty of deep neural networks. While they could capture more accurately the posterior…

计算机视觉与模式识别 · 计算机科学 2021-03-26 Gianni Franchi , Andrei Bursuc , Emanuel Aldea , Severine Dubuisson , Isabelle Bloch

We investigate uncertainty estimation and multimodality via the non-deterministic predictions of Bayesian neural networks (BNNs) in fluid simulations. To this end, we deploy BNNs in three challenging experimental test-cases of increasing…

流体动力学 · 物理学 2022-05-04 Maximilian Mueller , Robin Greif , Frank Jenko , Nils Thuerey

Deep learning models have exhibited superior performance in predictive tasks with the explosively increasing Electronic Health Records (EHR). However, due to the lack of transparency, behaviors of deep learning models are difficult to…

机器学习 · 计算机科学 2019-07-16 Riyi Qiu , Yugang Jia , Mirsad Hadzikadic , Michael Dulin , Xi Niu , Xin Wang

Binarization of neural network models is considered as one of the promising methods to deploy deep neural network models on resource-constrained environments such as mobile devices. However, Binary Neural Networks (BNNs) tend to suffer from…

机器学习 · 计算机科学 2021-03-31 Hyungjun Kim , Jihoon Park , Changhun Lee , Jae-Joon Kim

Bayesian Neural Networks with Latent Variables (BNN+LVs) capture predictive uncertainty by explicitly modeling model uncertainty (via priors on network weights) and environmental stochasticity (via a latent input noise variable). In this…

机器学习 · 计算机科学 2022-09-19 Yaniv Yacoby , Weiwei Pan , Finale Doshi-Velez

This paper addresses the challenges of power flow calculation in large scale power systems with high renewable penetration, focusing on computational efficiency and generalization. Traditional methods, while accurate, struggle with…

系统与控制 · 电气工程与系统科学 2024-10-30 Ziqing Zhu , Shuyang Zhu , Siqi Bu

This paper addresses the need for deep learning models to integrate well-defined constraints into their outputs, driven by their application in surrogate models, learning with limited data and partial information, and scenarios requiring…

机器学习 · 统计学 2024-07-02 Rahul Rathnakumar , Jiayu Huang , Hao Yan , Yongming Liu

Efficiently quantifying predictive uncertainty in medical images remains a challenge. While Bayesian neural networks (BNN) offer predictive uncertainty, they require substantial computational resources to train. Although Bayesian…

计算机视觉与模式识别 · 计算机科学 2024-11-21 Zeinab Abboud , Herve Lombaert , Samuel Kadoury

Modern neural networks have proven to be powerful function approximators, providing state-of-the-art performance in a multitude of applications. They however fall short in their ability to quantify confidence in their predictions - this is…

机器学习 · 统计学 2020-06-29 Alex J. Chan , Ahmed M. Alaa , Zhaozhi Qian , Mihaela van der Schaar

Computational chemistry has come a long way over the course of several decades, enabling subatomic level calculations particularly with the development of Density Functional Theory (DFT). Recently, machine-learned potentials (MLP) have…

The ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is driven by numerous factors. An uncertainty-aware metric that…

机器学习 · 计算机科学 2023-08-28 Line Pouchard , Kristofer G. Reyes , Francis J. Alexander , Byung-Jun Yoon

Increasingly high-stakes decisions are made using neural networks in order to make predictions. Specifically, meteorologists and hedge funds apply these techniques to time series data. When it comes to prediction, there are certain…

机器学习 · 计算机科学 2022-11-14 Levente Foldesi , Matias Valdenegro-Toro

Graph Neural Networks (GNNs) have been extensively used in various real-world applications. However, the predictive uncertainty of GNNs stemming from diverse sources such as inherent randomness in data and model training errors can lead to…

机器学习 · 计算机科学 2025-03-11 Fangxin Wang , Yuqing Liu , Kay Liu , Yibo Wang , Sourav Medya , Philip S. Yu