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The success of metabolomics studies depends upon the "fitness" of each biological sample used for analysis: it is critical that metabolite levels reported for a biological sample represent an accurate snapshot of the studied organism's…

Quantitative Methods · Quantitative Biology 2015-06-16 Barry M. Slaff , Shane T. Jensen , Aalim M. Weljie

Data sets with imbalanced class sizes, where one class size is much smaller than that of others, occur exceedingly often in many applications, including those with biological foundations, such as disease diagnosis and drug discovery.…

Machine Learning · Computer Science 2024-09-05 Nicole Hayes , Ekaterina Merkurjev , Guo-Wei Wei

In this paper we propose a nonparametric graphical test based on optimal matching, for assessing the equality of multiple unknown multivariate probability distributions. Our procedure pools the data from the different classes to create a…

Unbalanced optimal transport (UOT) provides a principled framework for modeling single-cell transitions and birth-death dynamics, but its high computational cost limits scalability to large-scale datasets. Although single-cell data often…

Machine Learning · Computer Science 2026-05-19 Qiangwei Peng , Lezhi Chen , Peijie Zhou

Optimizing data mixtures is essential for unlocking the full potential of large language models (LLMs), yet identifying the optimal composition remains computationally prohibitive due to reliance on heuristic trials or expensive proxy…

Machine Learning · Computer Science 2026-01-27 Jiapeng Wang , Changxin Tian , Kunlong Chen , Ziqi Liu , Jiaxin Mao , Wayne Xin Zhao , Zhiqiang Zhang , Jun Zhou

This study integrates PET metabolic information with CT anatomical structures to establish a 3D multimodal segmentation dataset for lymphoma based on whole-body FDG PET/CT examinations, which bridges the gap of the lack of standardised…

Image and Video Processing · Electrical Eng. & Systems 2025-12-08 Jiajun Ding , Beiyao Zhu , Xiaosheng Liu , Lishen Zhang , Zhao Liu

Optimal transport (OT) compares probability distributions by computing a meaningful alignment between their samples. CO-optimal transport (COOT) takes this comparison further by inferring an alignment between features as well. While this…

Density level sets can be estimated using plug-in methods, excess mass algorithms or a hybrid of the two previous methodologies. The plug-in algorithms are based on replacing the unknown density by some nonparametric estimator, usually the…

Statistics Theory · Mathematics 2016-11-26 A. Rodríguez-Casal , P. Saavedra-Nieves

Unsupervised graph alignment finds the node correspondence between a pair of attributed graphs by only exploiting graph structure and node features. One category of recent studies first computes the node representation and then matches…

Machine Learning · Computer Science 2025-05-07 Songyang Chen , Yu Liu , Lei Zou , Zexuan Wang , Youfang Lin

Machine learning systems operate under the assumption that training and test data are sampled from a fixed probability distribution. However, this assumptions is rarely verified in practice, as the conditions upon which data was acquired…

Machine Learning · Computer Science 2025-07-09 Eduardo Fernandes Montesuma , Fred Maurice Ngolè Mboula , Antoine Souloumiac

Untargeted metabolomics generates large volumes of tandem mass spectrometry (MS/MS) data and computational annotations that can reveal molecular mechanisms across organisms and environments. Public reuse has improved through harmonized…

Databases · Computer Science 2026-05-26 Matthieu Féraud , Dina Boukhajou , Fabien Gandon , Louis-Félix Nothias

The rising rates of diabetes necessitate innovative methods for its management. Continuous glucose monitors (CGM) are small medical devices that measure blood glucose levels at regular intervals providing insights into daily patterns of…

Quantitative Methods · Quantitative Biology 2024-10-10 Renat Sergazinov , Elizabeth Chun , Valeriya Rogovchenko , Nathaniel Fernandes , Nicholas Kasman , Irina Gaynanova

Identification of clusters of co-expressed genes in transcriptomic data is a difficult task. Most algorithms used for this purpose can be classified into two broad categories: distance-based or model-based approaches. Distance-based…

Applications · Statistics 2022-09-26 Gabriel Lozano , Nadia Atallah , Michael Levine

In this paper, we present a novel method for co-clustering, an unsupervised learning approach that aims at discovering homogeneous groups of data instances and features by grouping them simultaneously. The proposed method uses the entropy…

Machine Learning · Statistics 2017-05-22 Charlotte Laclau , Ievgen Redko , Basarab Matei , Younès Bennani , Vincent Brault

We propose the use of non-parametric, graph-based tests to assess the distributional balance of covariates in observational studies with multi-valued treatments. Our tests utilize graph structures ranging from Hamiltonian paths that connect…

Methodology · Statistics 2022-08-11 Eric A. Dunipace

The current cancer treatment practice collects multimodal data, such as radiology images, histopathology slides, genomics and clinical data. The importance of these data sources taken individually has fostered the recent raise of radiomics…

Machine Learning · Computer Science 2023-06-16 Matteo Tortora , Ermanno Cordelli , Rosa Sicilia , Lorenzo Nibid , Edy Ippolito , Giuseppe Perrone , Sara Ramella , Paolo Soda

Mobile phone data have recently become an attractive source of information about mobility behavior. Since cell phone data can be captured in a passive way for a large user population, they can be harnessed to collect well-sampled mobility…

Social and Information Networks · Computer Science 2016-04-25 Fereshteh Asgari , Alexis Sultan , Haoyi Xiong , Vincent Gauthier , Mounim El-Yacoubi

Evaluating lesion evolution in longitudinal CT scans of can cer patients is essential for assessing treatment response, yet establishing reliable lesion correspondence across time remains challenging. Standard bipartite matchers, which rely…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Melika Qahqaie , Dominik Neumann , Tobias Heimann , Andreas Maier , Veronika A. Zimmer

Representing and quantifying Minimal Residual Disease (MRD) in Acute Myeloid Leukemia (AML), a type of cancer that affects the blood and bone marrow, is essential in the prognosis and follow-up of AML patients. As traditional cytological…

Integration of transcriptomic and metabolomic data improves functional interpretation of disease-related metabolomic phenotypes, and facilitates discovery of putative metabolite biomarkers and gene targets. For this reason, these data are…