A generalized supervised contrastive learning framework for integrative multi-omics prediction models

Abstract

Advancements in multi-omics research have demonstrated the potential of integrating human microbiome and metabolomics data to better understand physiological processes and improve prediction accuracy in studies of human health. While conventional models utilizing single-omics data provide valuable perspectives, they often fail to capture the complexity of biological systems. Recent developments in supervised contrastive learning frameworks have enhanced predictive performance for categorical responses, yet limitations persist in extending these methods to continuous outcomes. A robust model capable of addressing these gaps could significantly enhance multi-omics predictions and provide new insights into complex biological interactions. Here, we present MB-SupCon-cont, a novel supervised contrastive learning framework designed for both categorical and continuous responses in multi-omics data. MB-SupCon-cont improves prediction accuracy by incorporating a generalized contrastive loss function that defines similarity and dissimilarity for continuous responses using three distance-based weighting methods. Through simulation studies and two real-world datasets for Type 2 Diabetes (T2D) and High-Fat Diet (HFD), we demonstrate that MB-SupCon-cont consistently achieves lower prediction errors than tuned conventional models, canonical correlation analysis, and autoencoder baselines, with most reaching statistical significance. We further provide a validation-based rule for selecting the weighting method and show that the learned embeddings align more closely with the response and recover known microbe and metabolite associations. The framework also provides superior representation learning and improves data visualization in lower-dimensional spaces. These findings suggest that MB-SupCon-cont is a powerful tool for general multi-omics prediction and may have broad applicability in biomedical research.