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Graph learning on molecules makes use of information from both the molecular structure and the features attached to that structure. Much work has been conducted on biasing either towards structure or features, with the aim that bias…

Machine Learning · Computer Science 2025-02-03 Alex O. Davies , Nirav S. Ajmeri , Telmo de Menezes e Silva Filho

Uncertainty quantification is vital for decision-making and risk assessment in machine learning. Mean-variance regression models, which predict both a mean and residual noise for each data point, provide a simple approach to uncertainty…

Machine Learning · Statistics 2025-12-01 Eliot Wong-Toi , Alex Boyd , Vincent Fortuin , Stephan Mandt

In this paper we suggest a new algorithm for determination of signal-to-noise ratio (SNR). SNR is a quantitative measure widely used in science and engineering. Generally, methods for determination of SNR are based on using of…

Data Analysis, Statistics and Probability · Physics 2016-09-30 Z. Zh. Zhanabaev , S. N. Akhtanov , E. T. Kozhagulov , B. A Karibayev

Reliability of machine learning evaluation -- the consistency of observed evaluation scores across replicated model training runs -- is affected by several sources of nondeterminism which can be regarded as measurement noise. Current…

Machine Learning · Computer Science 2023-10-10 Michael Hagmann , Philipp Meier , Stefan Riezler

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…

Machine Learning · Computer Science 2019-07-16 Riyi Qiu , Yugang Jia , Mirsad Hadzikadic , Michael Dulin , Xi Niu , Xin Wang

Data corruption, including missing and noisy data, poses significant challenges in real-world machine learning. This study investigates the effects of data corruption on model performance and explores strategies to mitigate these effects…

Machine Learning · Computer Science 2025-05-22 Qi Liu , Wanjing Ma

To achieve high performance of a machine learning (ML) task, a deep learning-based model must implicitly capture the entire distribution from data. Thus, it requires a huge amount of training samples, and data are expected to fully present…

Machine Learning · Computer Science 2021-11-17 Hung Nguyen , Morris Chang

Machine learning (ML) systems are increasingly deployed in high-stakes domains where reliability is paramount. This thesis investigates how uncertainty estimation can enhance the safety and trustworthiness of ML, focusing on selective…

Machine Learning · Computer Science 2025-09-09 Stephan Rabanser

In a data-centric era, concerns regarding privacy and ethical data handling grow as machine learning relies more on personal information. This empirical study investigates the privacy, generalization, and stability of deep learning models…

Machine Learning · Computer Science 2023-11-13 Elaheh Jafarigol , Theodore Trafalis

Autonomous or self-driving networks are expected to provide a solution to the myriad of extremely demanding new applications with minimal human supervision. For this purpose, the community relies on the development of new Machine Learning…

Machine Learning · Computer Science 2024-12-06 José Camacho , Katarzyna Wasielewska , Pablo Espinosa , Marta Fuentes-García

Given data on the choices made by consumers for different offer sets, a key challenge is to develop parsimonious models that describe and predict consumer choice behavior while being amenable to prescriptive tasks such as pricing and…

Machine Learning · Statistics 2025-04-15 Yanqiu Ruan , Xiaobo Li , Karthyek Murthy , Karthik Natarajan

In the regression problem, L1 and L2 are the most commonly used loss functions, which produce mean predictions with different biases. However, the predictions are neither robust nor adequate enough since they only capture a few conditional…

Machine Learning · Computer Science 2019-11-14 Faen Zhang , Xinyu Fan , Hui Xu , Pengcheng Zhou , Yujian He , Junlong Liu

Data quality is a key element for building and optimizing good learning models. Despite many attempts to characterize data quality, there is still a need for rigorous formalization and an efficient measure of the quality from available…

Machine Learning · Computer Science 2023-12-14 Jouseau Roxane , Salva Sébastien , Samir Chafik

The use of Deep Neural Network (DNN) models in risk-based decision-making has attracted extensive attention with broad applications in medical, finance, manufacturing, and quality control. To mitigate prediction-related risks in decision…

Machine Learning · Statistics 2023-10-11 Maryam Kheirandish , Shengfan Zhang , Donald G. Catanzaro , Valeriu Crudu

Neural networks are known to develop latent representations that are $aligned$, namely structurally similar across networks trained with different architectures, training protocols, or training datasets. We study this phenomenon in a…

Machine Learning · Statistics 2026-05-27 Ali Hussaini Umar , Alessandro Laio

Accurately estimating uncertainties in neural network predictions is of great importance in building trusted DNNs-based models, and there is an increasing interest in providing accurate uncertainty estimation on many tasks, such as security…

Machine Learning · Computer Science 2020-07-14 Yukun Ding , Jinglan Liu , Jinjun Xiong , Yiyu Shi

The growing legal and ethical scrutiny of large language models (LLMs) necessitates effective machine unlearning, particularly for sensitive or unauthorized data. Existing empirical methods often yield incomplete forgetting or unintended…

Machine Learning · Computer Science 2025-08-11 Ameya Anjarlekar , Sandeep Pombra

Dynamic Mode Decomposition (DMD) is a data-driven modeling tool that generates a model from spatio-temporal data. The data needs to be as clean as possible for DMD to come up with a faithful model. We review a few data-filtering methods to…

Optimization and Control · Mathematics 2021-03-04 Moajjem H. Chowdhury , Nazmul Islam Shuzan , Mohammad N. Murshed , Sanwar Alam , M. Monir Uddin , Zarin Subah

SNR margins between partially and fully loaded DWDM systems are estimated without detailed knowledge of the network. The ML model, trained on simulation data, achieves accurate predictions on experimental data with an RMSE of 0.16 dB.

Networking and Internet Architecture · Computer Science 2023-02-17 Jasper Müller , Frank Slyne , Kaida Kaeval , Sebastian Troia , Tobias Fehenberger , Jörg-Peter Elbers , Daniel C. Kilper , Marco Ruffini , Carmen Mas-Machuca

Machine Learning (ML) algorithms are vital for supporting clinical decision-making in biomedical informatics. However, their predictive performance can vary across demographic groups, often due to the underrepresentation of historically…

Machine Learning · Computer Science 2025-03-04 Ioannis Bilionis , Ricardo C. Berrios , Luis Fernandez-Luque , Carlos Castillo
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