This work uses Sylvester normalizing flows for more accurate metabolite quantification in MRS.
arXiv research
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Study compares data-driven vs model-based MRS quantification strategies, focusing on resilience to out-of-distribution effects.
Develops methods for GWAS of high dimensional phenotypes using summary statistics.
We extend multi-way, multivariate ANOVA-type analysis to cases where one covariate is the view, with features of each view coming from different, high-dimensional domains. The different views are assumed to be connected by having paired samples; this is a common setup in recent bioinformatics experiments, of which we a…
Translating potential disease biomarkers between multi-species 'omics' experiments is a new direction in biomedical research. The existing methods are limited to simple experimental setups such as basic healthy-diseased comparisons. Most of these methods also require an a priori matching of the variables (e.g., genes o…
rags2ridges simplifies graphical modeling of high-dimensional data.
This work demonstrates the execution of a novel process model for knowledge discovery and data mining for metabolomics (MeKDDaM). It aims to illustrate MeKDDaM process model applicability using four different real-world applications and to highlight its strengths and unique features. The demonstrated applications provi…
High-dimensional linear classifiers, such as the support vector machine (SVM) and distance weighted discrimination (DWD), are commonly used in biomedical research to distinguish groups of subjects based on a large number of features. However, their use is limited to applications where a single vector of features is mea…
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 provide exciting opportunity to guide feature selection in agnostic metabolic pr…
This study assesses the reproducibility of 1H-MRS scans across different vendors and sessions.
CogMol designs novel drug-like molecules for SARS-CoV-2 targets.
Reduced-rank method improves least-squares regression under output regularity.
Motivation: Untargeted metabolomics comprehensively characterizes small molecules and elucidates activities of biochemical pathways within a biological sample. Despite computational advances, interpreting collected measurements and determining their biological role remains a challenge. Results: To interpret measurement…
In high-dimensional data, structured noise caused by observed and unobserved factors affecting multiple target variables simultaneously, imposes a serious challenge for modeling, by masking the often weak signal. Therefore, (1) explaining away the structured noise in multiple-output regression is of paramount importanc…
Developed a multiway classification method for sparse data.
Fungal Biosynthetic Gene Clusters (BGCs) of secondary metabolites are clusters of genes capable of producing natural products, compounds that play an important role in the production of a wide variety of bioactive compounds, including antibiotics and pharmaceuticals. Identifying BGCs can lead to the discovery of novel …
Pipeline integrates cross-sectional and longitudinal multi-omics data for IBD research.
Graph auto-encoder predicts unobserved node features from biological networks and omics data.
JigSaw discovers high-order interactions from random forests.