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Researchers have proposed several approaches for neural network (NN) based uncertainty quantification (UQ). However, most of the approaches are developed considering strong assumptions. Uncertainty quantification algorithms often perform…

Quantum computing, leveraging principles of quantum mechanics, represents a transformative approach in computational methodologies, offering significant enhancements over traditional classical systems. This study tackles the complex and…

Quantum Physics · Physics 2024-05-21 Mohammadreza Soltaninia , Junpeng Zhan

Uncertainty quantification is an important part of many performance critical applications. This paper provides a simple alternative to existing approaches such as ensemble learning and bayesian neural networks. By directly modeling the loss…

Machine Learning · Computer Science 2024-08-28 Yi Hung Lim

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

With the increasing popularity of graph-based learning, graph neural networks (GNNs) emerge as the essential tool for gaining insights from graphs. However, unlike the conventional CNNs that have been extensively explored and exhaustively…

Machine Learning · Computer Science 2020-09-23 Boyuan Feng , Yuke Wang , Zheng Wang , Yufei Ding

This paper introduces Uncertainty Propagation Network (UPN), a novel family of neural differential equations that naturally incorporate uncertainty quantification into continuous-time modeling. Unlike existing neural ODEs that predict only…

Machine Learning · Computer Science 2026-02-25 Hadi Jahanshahi , Zheng H. Zhu

Graph Neural Networks (GNNs) achieve state-of-the-art performance in various graph-related tasks. However, the black-box nature often limits their interpretability and trustworthiness. Numerous explainability methods have been proposed to…

Machine Learning · Computer Science 2023-11-13 Jialin Chen , Kenza Amara , Junchi Yu , Rex Ying

Knowledge Graph Question Answering (KGQA) aims to answer user questions by reasoning over Knowledge Graphs (KGs). Recent KGQA methods mainly follow the retrieval-augmented generation paradigm to ground Large Language Models~(LLMs) with…

Artificial Intelligence · Computer Science 2026-05-12 Shengxiang Gao , Chao Lei , Jey Han Lau , Jianzhong Qi

Introduction: Quantification of dynamic contrast-enhanced (DCE)-MRI has the potential to provide valuable clinical information, but robust pharmacokinetic modeling remains a challenge for clinical adoption. Methods: A 7-layer neural network…

Medical Physics · Physics 2024-05-22 Ouri Cohen , Soudabeh Kargar , Sungmin Woo , Alberto Vargas , Ricardo Otazo

Counterfactual explanations have emerged as a powerful tool to unveil the opaque decision-making processes of graph neural networks (GNNs). However, existing techniques primarily focus on edge modifications, often overlooking the crucial…

Machine Learning · Computer Science 2025-02-17 Flavio Giorgi , Fabrizio Silvestri , Gabriele Tolomei

Quantized neural networks typically require smaller memory footprints and lower computation complexity, which is crucial for efficient deployment. However, quantization inevitably leads to a distribution divergence from the original…

Computer Vision and Pattern Recognition · Computer Science 2022-05-30 Runpei Dong , Zhanhong Tan , Mengdi Wu , Linfeng Zhang , Kaisheng Ma

We propose a method for formally certifying and quantifying individual fairness of deep neural networks (DNN). Individual fairness guarantees that any two individuals who are identical except for a legally protected attribute (e.g., gender…

Machine Learning · Computer Science 2024-10-14 Brian Hyeongseok Kim , Jingbo Wang , Chao Wang

Uncertainty quantification for deep learning is a challenging open problem. Bayesian statistics offer a mathematically grounded framework to reason about uncertainties; however, approximate posteriors for modern neural networks still…

Machine Learning · Statistics 2020-01-23 Nicolas Brosse , Carlos Riquelme , Alice Martin , Sylvain Gelly , Éric Moulines

Counterfactual explanations (CE) are the de facto method for providing insights into black-box decision-making models by identifying alternative inputs that lead to different outcomes. However, existing CE approaches, including group and…

Artificial Intelligence · Computer Science 2025-03-13 Lei You , Lele Cao , Mattias Nilsson , Bo Zhao , Lei Lei

Deep neural networks (DNNs) are vulnerable to maliciously generated adversarial examples. These examples are intentionally designed by making imperceptible perturbations and often mislead a DNN into making an incorrect prediction. This…

Machine Learning · Computer Science 2018-10-10 Mengchen Liu , Shixia Liu , Hang Su , Kelei Cao , Jun Zhu

Graph Neural Networks (GNNs) have shown remarkable performance in the healthcare domain. However, what remained challenging is quantifying the predictive uncertainty of GNNs, which is an important aspect of trustworthiness in clinical…

Machine Learning · Computer Science 2025-08-28 Hirad Daneshvar , Reza Samavi

Bayesian inference is used extensively to quantify the uncertainty in an inferred field given the measurement of a related field when the two are linked by a mathematical model. Despite its many applications, Bayesian inference faces…

Machine Learning · Statistics 2020-03-31 Dhruv V. Patel , Assad A. Oberai

Graph Neural Networks (GNNs) perform well in community detection and molecule classification. Counterfactual Explanations (CE) provide counter-examples to overcome the transparency limitations of black-box models. Due to the growing…

Machine Learning · Computer Science 2024-06-12 Mario Alfonso Prado-Romero , Bardh Prenkaj , Giovanni Stilo , Fosca Giannotti

Counterfactual explanations offer an intuitive way to interpret graph neural networks (GNNs) by identifying minimal changes that alter a model's prediction, thereby answering "what must differ for a different outcome?". In this work, we…

Machine Learning · Computer Science 2026-02-09 Yu Zhang , Sean Bin Yang , Arijit Khan , Cuneyt Gurcan Akcora

While deep learning has led to huge progress in complex image classification tasks like ImageNet, unexpected failure modes, e.g. via spurious features, call into question how reliably these classifiers work in the wild. Furthermore, for…

Computer Vision and Pattern Recognition · Computer Science 2024-07-15 Maximilian Augustin , Yannic Neuhaus , Matthias Hein
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