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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

Linear regression analysis focuses on predicting a numeric regressand value based on certain regressor values. In this context, k-Nearest Neighbors (k-NN) is a common non-parametric regression algorithm, which achieves efficient performance…

Accurate and uncertainty-aware degradation estimation is essential for predictive maintenance in safety-critical systems like rotating machinery with rolling-element bearings. Many existing uncertainty methods lack confidence calibration,…

Machine Learning · Computer Science 2025-12-19 Waleed Razzaq , Yun-Bo Zhao

Machine learning (ML) models for molecules and materials commonly rely on a decomposition of the global target quantity into local, atom-centered contributions. This approach is convenient from a computational perspective, enabling…

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their…

Machine Learning · Computer Science 2024-03-19 Xu Zheng , Farhad Shirani , Tianchun Wang , Wei Cheng , Zhuomin Chen , Haifeng Chen , Hua Wei , Dongsheng Luo

Neural networks achieve outstanding accuracy in classification and regression tasks. However, understanding their behavior still remains an open challenge that requires questions to be addressed on the robustness, explainability and…

Machine Learning · Computer Science 2021-05-13 Anna-Kathrin Kopetzki , Stephan Günnemann

In plenty of machine learning applications, the most relevant items for a particular query should be efficiently extracted, while the relevance function is based on a highly-nonlinear model, e.g., DNNs or GBDTs. Due to the high…

Information Retrieval · Computer Science 2019-10-21 Stanislav Morozov , Artem Babenko

Big data mining is well known to be an important task for data science, because it can provide useful observations and new knowledge hidden in given large datasets. Proximity-based data analysis is particularly utilized in many real-life…

Databases · Computer Science 2022-11-29 Daichi Amagata , Yusuke Arai , Sumio Fujita , Takahiro Hara

Gaussian Process Regression (GPR) is a popular regression method, which unlike most Machine Learning techniques, provides estimates of uncertainty for its predictions. These uncertainty estimates however, are based on the assumption that…

Machine Learning · Computer Science 2024-08-29 Harris Papadopoulos

Nearest-neighbour retrieval is central to classification and explainable-AI pipelines, but current practice relies on hand-tuning feature layers and distance metrics. We propose Targeted Manifold Manipulation-Nearest Neighbour (TMM-NN),…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 B. Ghosh , H. Harikumar , S. Rana

The lack of transparency of Deep Neural Networks continues to be a limitation that severely undermines their reliability and usage in high-stakes applications. Promising approaches to overcome such limitations are Prototype-Based…

Machine Learning · Computer Science 2025-07-21 Jon Vadillo , Roberto Santana , Jose A. Lozano , Marta Kwiatkowska

Deep neural network (DNN) models for retinopathy have estimated predictive accuracies in the mid-to-high 90%. However, the following aspects remain unaddressed: State-of-the-art models are complex and require substantial computational…

Gaussian process regression (GPR) is a fundamental model used in machine learning. Owing to its accurate prediction with uncertainty and versatility in handling various data structures via kernels, GPR has been successfully used in various…

Machine Learning · Computer Science 2021-12-16 Yuya Yoshikawa , Tomoharu Iwata

Phase retrieval (PR) is a popular research topic in signal processing and machine learning. However, its performance degrades significantly when the measurements are corrupted by noise or outliers. To address this limitation, we propose a…

Optimization and Control · Mathematics 2025-05-30 Jun Fan , Ailing Yan , Xianchao Xiu , Wanquan Liu

This work presents the design, implementation and validation of learning techniques based on the kNN scheme for gesture detection in prosthetic control. To cope with high computational demands in instance-based prediction, methods of…

Human-Computer Interaction · Computer Science 2023-08-23 Tim Sziburis , Markus Nowak , Davide Brunelli

Large-scale replication studies like the Reproducibility Project: Psychology (RP:P) provide invaluable systematic data on scientific replicability, but most analyses and interpretations of the data fail to agree on the definition of…

Methodology · Statistics 2022-03-08 Kenneth Hung , William Fithian

Given a point query Q in multi-dimensional space, K-Nearest Neighbor (KNN) queries return the K closest answers according to given distance metric in the database with respect to Q. In this scenario, it is possible that a majority of the…

Databases · Computer Science 2007-05-23 Anoop Jain , Parag Sarda , Jayant R. Haritsa

Similarity graphs are an active research direction for the nearest neighbor search (NNS) problem. New algorithms for similarity graph construction are continuously being proposed and analyzed by both theoreticians and practitioners.…

Machine Learning · Computer Science 2020-02-14 Dmitry Baranchuk , Artem Babenko

Learning a robust classifier from a few samples remains a key challenge in machine learning. A major thrust of research has been focused on developing $k$-nearest neighbor ($k$-NN) based algorithms combined with metric learning that…

Machine Learning · Statistics 2022-02-17 Shixiang Zhu , Liyan Xie , Minghe Zhang , Rui Gao , Yao Xie

Machine learning models have become more and more complex in order to better approximate complex functions. Although fruitful in many domains, the added complexity has come at the cost of model interpretability. The once popular k-nearest…