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Operator learning enables fast surrogate modeling of high-dimensional dynamical systems, but existing approaches face two fundamental limitations: quadratic inference complexity and unreliable uncertainty quantification in safety-critical…

Machine Learning · Computer Science 2026-05-04 Purav Matlia , Christian Moya , Guang Lin

The changesets (or patches) that fix open source software vulnerabilities form critical datasets for various machine learning security-enhancing applications, such as automated vulnerability patching and silent fix detection. These patch…

Software Engineering · Computer Science 2025-09-23 Hui Chen , Yunhua Zhao , Kostadin Damevski

Classical problems in computational physics such as data-driven forecasting and signal reconstruction from sparse sensors have recently seen an explosion in deep neural network (DNN) based algorithmic approaches. However, most DNN models do…

Machine Learning · Computer Science 2023-02-21 Romit Maulik , Romain Egele , Krishnan Raghavan , Prasanna Balaprakash

Techniques from artificial intelligence and machine learning are increasingly employed in nuclear theory, however, the uncertainties that arise from the complex parameter manifold encoded by the neural networks are often overlooked.…

Nuclear Theory · Physics 2025-10-29 Mengyao Huang , Kyle A. Wendt , Nicolas F. Schunck , Erika M. Holmbeck

Multi-head self-attention forms the core of Transformer networks. However, their quadratically growing complexity with respect to the input sequence length impedes their deployment on resource-constrained edge devices. We address this…

Computation and Language · Computer Science 2022-04-08 Zuzana Jelčicová , Marian Verhelst

With the increased prevalence of neural operators being used to provide rapid solutions to partial differential equations (PDEs), understanding the accuracy of model predictions and the associated error levels is necessary for deploying…

Machine Learning · Computer Science 2026-02-26 Nick Winovich , Mitchell Daneker , Lu Lu , Guang Lin

Model quantization is a widely used technique to compress and accelerate deep neural network (DNN) inference. Emergent DNN hardware accelerators begin to support mixed precision (1-8 bits) to further improve the computation efficiency,…

Computer Vision and Pattern Recognition · Computer Science 2019-04-09 Kuan Wang , Zhijian Liu , Yujun Lin , Ji Lin , Song Han

Deep Ensembles, as a type of Bayesian Neural Networks, can be used to estimate uncertainty on the prediction of multiple neural networks by collecting votes from each network and computing the difference in those predictions. In this paper,…

Machine Learning · Computer Science 2023-07-10 Illia Oleksiienko , Alexandros Iosifidis

Ensembles improve prediction performance and allow uncertainty quantification by aggregating predictions from multiple models. In deep ensembling, the individual models are usually black box neural networks, or recently, partially…

Machine Learning · Statistics 2022-05-26 Lucas Kook , Andrea Götschi , Philipp FM Baumann , Torsten Hothorn , Beate Sick

Quantum neural networks are deemed suitable to replace classical neural networks in their ability to learn and scale up network models using quantum-exclusive phenomena like superposition and entanglement. However, in the noisy intermediate…

Computer Vision and Pattern Recognition · Computer Science 2024-09-25 Dibyasree Guha , Shyamali Mitra , Somenath Kuiry , Nibaran Das

With increasing computational demand, Neural-Network (NN) based models are being developed as pre-trained surrogates for different thermohydraulics phenomena. An area where this approach has shown promise is in developing higher-fidelity…

Fluid Dynamics · Physics 2024-12-13 Cody Grogan , Som Dutta , Mauricio Tano , Somayajulu L. N. Dhulipala , Izabela Gutowska

This paper introduces a novel and scalable framework for uncertainty estimation and separation with applications in data driven modeling in science and engineering tasks where reliable uncertainty quantification is critical. Leveraging an…

Machine Learning · Computer Science 2024-12-19 Navid Ansari , Hans-Peter Seidel , Vahid Babaei

This paper introduces an efficient sub-model ensemble framework aimed at enhancing the interpretability of medical deep learning models, thus increasing their clinical applicability. By generating uncertainty maps, this framework enables…

Machine Learning · Computer Science 2024-11-11 Weijie Chen , Alan McMillan

Epistemic uncertainty quantification (UQ) identifies where models lack knowledge. Traditional UQ methods, often based on Bayesian neural networks, are not suitable for pre-trained non-Bayesian models. Our study addresses quantifying…

Machine Learning · Computer Science 2024-04-17 Hanjing Wang , Qiang Ji

While Deep Neural Networks (DNNs) achieve state-of-the-art accuracy in various applications, they often fall short in accurately estimating their predictive uncertainty and, in turn, fail to recognize when these predictions may be wrong.…

Machine Learning · Computer Science 2020-07-22 Ankur Mallick , Chaitanya Dwivedi , Bhavya Kailkhura , Gauri Joshi , T. Yong-Jin Han

Fast estimates of model uncertainty are required for many robust robotics applications. Deep Ensembles provides state of the art uncertainty without requiring Bayesian methods, but still it is computationally expensive. In this paper we…

Machine Learning · Computer Science 2019-12-02 Matias Valdenegro-Toro

Multi-head attention, a collection of several attention mechanisms that independently attend to different parts of the input, is the key ingredient in the Transformer. Recent work has shown, however, that a large proportion of the heads in…

Computation and Language · Computer Science 2023-07-28 Jiaoda Li , Ryan Cotterell , Mrinmaya Sachan

The utility of deep learning models, such as CheXNet, in high stakes clinical settings is fundamentally constrained by their purely deterministic nature, failing to provide reliable measures of predictive confidence. This project addresses…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Yasiru Laksara , Uthayasanker Thayasivam

Detection Transformer (DETR) and its variants show strong performance on object detection, a key task for autonomous systems. However, a critical limitation of these models is that their confidence scores only reflect semantic uncertainty,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Yutong Yang , Katarina Popović , Julian Wiederer , Markus Braun , Vasileios Belagiannis , Bin Yang

As machine learning (ML) models are increasingly deployed in high-stakes domains, trustworthy uncertainty quantification (UQ) is critical for ensuring the safety and reliability of these models. Traditional UQ methods rely on specifying a…

Machine Learning · Statistics 2025-05-14 Abhineet Agarwal , Michael Xiao , Rebecca Barter , Omer Ronen , Boyu Fan , Bin Yu