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Uncertainty quantification (UQ) helps to make trustworthy predictions based on collected observations and uncertain domain knowledge. With increased usage of deep learning in various applications, the need for efficient UQ methods that can…

Machine Learning · Computer Science 2021-11-09 Olga Graf , Pablo Flores , Pavlos Protopapas , Karim Pichara

Recently, Knowledge Graphs (KGs) have been successfully coupled with Large Language Models (LLMs) to mitigate their hallucinations and enhance their reasoning capability, such as in KG-based retrieval-augmented frameworks. However, current…

Artificial Intelligence · Computer Science 2024-10-22 Bo Ni , Yu Wang , Lu Cheng , Erik Blasch , Tyler Derr

Quantum neural networks combine quantum computing with advanced data-driven methods, offering promising applications in quantum machine learning. However, the optimal paradigm for balancing trainability and expressivity in QNNs remains an…

Quantum Physics · Physics 2025-08-05 Hongshun Yao , Xia Liu , Mingrui Jing , Guangxi Li , Xin Wang

Graph neural networks (GNNs) have demonstrated strong performance on a wide variety of tasks due to their ability to model non-uniform structured data. Despite their promise, there exists little research exploring methods to make them more…

Machine Learning · Computer Science 2021-03-16 Shyam A. Tailor , Javier Fernandez-Marques , Nicholas D. Lane

Bayesian Neural Networks (BNNs) provide principled uncertainty quantification but suffer from substantial computational and memory overhead compared to deterministic networks. While quantization techniques have successfully reduced resource…

Machine Learning · Computer Science 2025-12-12 Hendrik Borras , Yong Wu , Bernhard Klein , Holger Fröning

Quantum neural networks (QNNs) leverage quantum entanglement and superposition to enable large-scale parallel linear computation, offering a potential solution to the scalability limits of classical deep learning. However, their practical…

Quantum Physics · Physics 2025-08-05 Pei-Kun Yang

We propose a novel QTGNN framework for detecting fraudulent transactions in large-scale financial networks. By integrating quantum embedding, variational graph convolutions, and topological data analysis, QTGNN captures complex transaction…

Machine Learning · Computer Science 2025-12-04 Mohammad Doost , Mohammad Manthouri

Bayesian neural networks (BNN) can estimate the uncertainty in predictions, as opposed to non-Bayesian neural networks (NNs). However, BNNs have been far less widely used than non-Bayesian NNs in practice since they need iterative NN…

Machine Learning · Computer Science 2022-02-15 Namuk Park , Taekyu Lee , Songkuk Kim

Traditional deep learning (DL) models are powerful classifiers, but many approaches do not provide uncertainties for their estimates. Uncertainty quantification (UQ) methods for DL models have received increased attention in the literature…

Machine Learning · Computer Science 2023-08-14 Daniel Ries , Joshua Michalenko , Tyler Ganter , Rashad Imad-Fayez Baiyasi , Jason Adams

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

Post-Training Quantization (PTQ) is pivotal for deploying large language models (LLMs) within resource-limited settings by significantly reducing resource demands. However, existing PTQ strategies underperform at low bit levels < 3 bits due…

Computation and Language · Computer Science 2025-01-31 Wanlong Liu , Yichen Xiao , Dingyi Zeng , Hongyang Zhao , Wenyu Chen , Malu Zhang

When employing deep neural networks (DNNs) for semantic segmentation in safety-critical applications like automotive perception or medical imaging, it is important to estimate their performance at runtime, e.g. via uncertainty estimates or…

Computer Vision and Pattern Recognition · Computer Science 2024-09-18 Edgar Heinert , Stephan Tilgner , Timo Palm , Matthias Rottmann

Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material…

Machine Learning · Computer Science 2024-08-27 Joseph Musielewicz , Janice Lan , Matt Uyttendaele , John R. Kitchin

Implicit neural representations have shown potential in various applications. However, accurately reconstructing the image or providing clear details via image super-resolution remains challenging. This paper introduces Quantum Fourier…

Quantum Physics · Physics 2025-04-29 Hongni Jin , Gurinder Singh , Kenneth M. Merz

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Machine Learning · Computer Science 2021-05-04 Jing Huang , Jie Yang

Quantised neural networks (QNNs) shrink models and reduce inference energy through low-bit arithmetic, yet most still depend on a running statistics batch normalisation (BN) layer, preventing true integer-only deployment. Prior attempts…

Machine Learning · Computer Science 2025-12-19 Pengfei Sun , Wenyu Jiang , Piew Yoong Chee , Paul Devos , Dick Botteldooren

Computational models of the human head are promising tools for estimating the impact-induced response of brain, and thus play an important role in the prediction of traumatic brain injury. Modern biofidelic head model simulations are…

Deep Neural Networks (DNNs) stand out as one of the most prominent approaches within the Machine Learning (ML) domain. The efficacy of DNNs has surged alongside recent increases in computational capacity, allowing these approaches to scale…

Machine Learning · Computer Science 2025-05-27 Jamie Duell , Monika Seisenberger , Hsuan Fu , Xiuyi Fan

Time-series with volatility clustering pose a unique challenge to uncertainty quantification (UQ) for returns forecasts. Methods for UQ such as Deep Evidential regression offer a simple way of quantifying return forecast uncertainty without…

Statistical Finance · Quantitative Finance 2024-09-20 Steven Y. K. Wong , Jennifer S. K. Chan , Lamiae Azizi

Accurate quantification of both aleatoric and epistemic uncertainties is essential when deploying Graph Neural Networks (GNNs) in high-stakes applications such as drug discovery and financial fraud detection, where reliable predictions are…

Machine Learning · Computer Science 2025-03-12 Linlin Yu , Kangshuo Li , Pritom Kumar Saha , Yifei Lou , Feng Chen