HABiC: an algorithm based on the exact computation of the Kantorovich-Rubinstein optimizer for binary classification in transcriptomics.

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Tác giả: Agnes Basseville, Mario Campone, Chiara Cordier, Pascal Jézéquel, Fabien Panloup

Ngôn ngữ: eng

Ký hiệu phân loại: 578.012 Classification

Thông tin xuất bản: England : Bioinformatics (Oxford, England) , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 750455

MOTIVATION: Machine learning analyses of molecular omics datasets largely drive the development of precision medicine in oncology, but mathematical challenges still hamper their application in the clinic. In particular, omics-based learning relies on high dimensional data with high degrees of freedom and multicollinearity issues, requiring more tailored algorithms. Here, we have developed a prediction algorithm that relies on the 1-Wasserstein distance to better capture complex relationships between variables, and that is built on a decision rule based on the exact computation of the Kantorovich-Rubinstein optimizer to increase the algorithm precision. We explored dimension reduction and aggregation methods to improve its robustness. The exact method was compared with a neural network-based approximate method, as well as with standards Euclidean distance-based classifiers. RESULTS: Experimental results on synthetic datasets with multiple scenarios of redundant/informative variables revealed that exact and approximate methods based on Wasserstein distance outperformed state-of-the-art algorithms when class information was spread across a large number of variables. When predicting clinical or biological outcomes from transcriptomics datasets, HABiC achieved consistently higher accuracy in most of situations. AVAILABILITY AND IMPLEMENTATION: Python code for HABiC classifier is available at https://github.com/chiaraco/HABiC. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
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