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With the maturation of metabolomics science and proliferation of biobanks, clinical metabolic profiling is an increasingly opportunistic frontier for advancing translational clinical research. Automated Machine Learning (AutoML) approaches…

Metabolic syndrome is a complex clinical condition characterized by the simultaneous presence of multiple metabolic risk factors and represents a major public health concern. The syndrome develops silently and may remain undiagnosed for…

Applications · Statistics 2026-05-27 Simone Colombara , Ilenia Epifani , Alessandra Guglielmi , Ettore Lanzarone

The human microbiome is a complex ecological system, and describing its structure and function under different environmental conditions is important from both basic scientific and medical perspectives. Viewed through a biostatistical lens,…

Applications · Statistics 2017-11-17 Kris Sankaran , Susan P. Holmes

In public health management there is a need to produce subnational estimates of health outcomes. Often, however, funds are not available to collect samples large enough to produce traditional survey sample estimates for each subnational…

Applications · Statistics 2008-12-18 Donald Malec , Peter Müller

In microbiome studies, it is often of great interest to identify clusters or partitions of microbiome profiles within a study population and to characterize the distinctive attributes of each resulting microbial community. While raw counts…

Methodology · Statistics 2025-08-18 Zhongmao Liu , Xiaohui Yin , Yanjiao Zhou , Gen Li , Kun Chen

Machine learning (ML) has emerged as a powerful tool for tackling complex regression and classification tasks, yet its success often hinges on the quality of training data. This study introduces an ML paradigm inspired by domain knowledge…

Machine Learning · Computer Science 2025-01-10 Mohsen Rashki

The correct use and interpretation of models depends on several steps, two of which being the calibration by parameter estimation and the analysis of uncertainty. In the biological literature, these steps are seldom discussed together, but…

Quantitative Methods · Quantitative Biology 2015-08-17 André Chalom , Paulo Inácio de Knegt López de Prado

In metabolomics, small molecules are structurally elucidated using tandem mass spectrometry (MS/MS); this resulted in the computational Maximum Colorful Subtree problem, which is NP-hard. Unfortunately, data from a single metabolite…

Data Structures and Algorithms · Computer Science 2018-02-14 Kai Dührkop , Marie Anne Lataretu , W. Timothy J. White , Sebastian Böcker

We consider the Bayesian mixture of finite mixtures (MFMs) and Dirichlet process mixture (DPM) models for clustering. Recent asymptotic theory has established that DPMs overestimate the number of clusters for large samples and that…

Medical events of interest, such as mortality, often happen at a low rate in electronic medical records, as most admitted patients survive. Training models with this imbalance rate (class density discrepancy) may lead to suboptimal…

Machine Learning · Computer Science 2022-08-02 Zepeng Huo , Xiaoning Qian , Shuai Huang , Zhangyang Wang , Bobak J. Mortazavi

With advances in high-resolution mass spectrometry technologies, metabolomics data are increasingly used to investigate biological mechanisms underlying associations between exposures and health outcomes in clinical and epidemiological…

Applications · Statistics 2025-03-19 Yuzi Zhang , Donghai Liang , Youran Tan , Anne L. Dunlop , Howard H. Chang

In recent years, model collapse has become a critical issue in language model training, making it essential to understand the underlying mechanisms driving this phenomenon. In this paper, we investigate recursive parametric model training…

Machine Learning · Statistics 2025-05-23 Shirong Xu , Hengzhi He , Guang Cheng

Pooled analyses that aggregate data from multiple studies are becoming increasingly common in collaborative epidemiologic research in order to increase the size and diversity of the study population. However, biomarker measurements from…

The fitness coefficient, introduced in this paper, results from a competition between parametric and nonparametric density estimators within the likelihood of the data. As illustrated on several real datasets, the fitness coefficient…

Statistics Theory · Mathematics 2018-06-18 Gildas Mazo , François Portier

Data imbalance is common in production data, where controlled production settings require data to fall within a narrow range of variation and data are collected with quality assessment in mind, rather than data analytic insights. This…

Machine Learning · Statistics 2021-12-17 Rune D. Kjærsgaard , Manja G. Grønberg , Line K. H. Clemmensen

We propose a Bayesian test of normality for univariate or multivariate data against alternative nonparametric models characterized by Dirichlet process mixture distributions. The alternative models are based on the principles of embedding…

Statistics Theory · Mathematics 2023-04-12 Surya T. Tokdar , Ryan Martin

Biological networks are one of the most studied object in computational biology. Several methods have been developed for studying qualitative properties of biological networks. Last decade had seen the improvement of molecular techniques…

Quantitative Methods · Quantitative Biology 2016-08-14 Jérémie Bourdon , Damien Eveillard

The metabolic state of a cell, comprising fluxes, metabolite concentrations and enzyme levels, is shaped by a compromise between metabolic benefit and enzyme cost. This hypothesis and its consequences can be studied by computational models…

Molecular Networks · Quantitative Biology 2022-10-05 Wolfram Liebermeister

Imbalanced classification and spurious correlation are common challenges in data science and machine learning. Both issues are linked to data imbalance, with certain groups of data samples significantly underrepresented, which in turn would…

Machine Learning · Statistics 2026-02-10 Ryumei Nakada , Yichen Xu , Lexin Li , Linjun Zhang

Thousands of metabolomic papers are published each year, creating challenges for scientists to combine results and yield conclusions that span across studies. Literature databases such as the Human Metabolome Database provide summaries of…

Quantitative Methods · Quantitative Biology 2024-10-24 Delilah Milner , Oliver Fiehn