Junpyo Seo


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2025

pdf bib
FlavorDiffusion: Modeling Food-Chemical Interactions with Diffusion
Junpyo Seo | Dongwan Kim | Jaewook Jeong | Inkyu Park | Junho Min
Proceedings of the 1st Workshop on AI and Scientific Discovery: Directions and Opportunities

The study of food pairing has evolved beyond subjective expertise with the advent of machine learning. This paper presents FlavorDiffusion, a novel framework leveraging diffusion models to predict food-chemical interactions and ingredient pairings without relying on chromatography. By integrating graph-based embeddings, diffusion processes, and chemical property encoding, FlavorDiffusion addresses data imbalances and enhances clustering quality. Using a heterogeneous graph derived from datasets like Recipe1M and FlavorDB, our model demonstrates superior performance in reconstructing ingredient-ingredient relationships. The addition of a Chemical Structure Prediction (CSP) layer further refines the embedding space, achieving state-of-the-art NMI scores and enabling meaningful discovery of novel ingredient combinations. The proposed framework represents a significant step forward in computational gastronomy, offering scalable, interpretable, and chemically informed solutions for food science.