研究者がAIを用いて捉えにくい嗅覚をマッピング(What’s that smell? Researchers use AI to map the elusive sense)

2026-09-09 イェール大学

イェール大学主導の研究チームは、機械学習を用いて、人間が複雑な匂いの組み合わせをどの程度似ていると感じるかを予測する手法を開発した。従来、色彩にはデジタルな色空間がある一方、数十~数百種類の分子から構成される複雑な匂いを定量的に比較する指標は存在しなかった。研究では、過去の3研究から集約した168種類の単一分子、731種類の混合物、507組の匂い比較データを利用し、26チームが参加した予測コンテストの成果を基に、上位6モデルを統合したアンサンブルモデルを構築。複雑な匂いの知覚類似性を既存手法以上の精度で予測し、独立データでも高い性能を示した。特に、分子構造だけでなく「花のよう」「甘い」などの言語的な匂い表現が予測に有効だった。研究は、匂い知覚をデジタル化する基盤となるもので、将来的には疾病に伴う匂いの変化を検出するデジタル嗅覚や、健康状態のバイオマーカーへの応用が期待される。

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嗅覚混合距離の高精度調整のための意味論に基づくコミュニティモデル A semantic-based community model for high-fidelity tuning of olfactory mixture distances

Vahid Satarifard, Laura Sisson, Yikun Han, +33 , and Pablo Meyer
Proceedings of the National Academy of Sciences  Published:August 4, 2026
DOI:https://doi.org/10.1073/pnas.2611057123

Abstract

A central goal in sensory science is to establish quantitative mappings between physical stimuli and perceptual experience. Although such mappings are well defined in vision and audition, they remain elusive in olfaction, particularly for complex odor mixtures. Here, we show that perceptual distances between odor mixtures can be predicted with high fidelity and are unexpectedly well captured by a compact semantic space derived from single-molecule representations. In the Dialogue for Reverse Engineering Assessment and Methods Olfactory Mixtures Prediction Challenge, we assembled a unified dataset of odor-mixture pairs, benchmarked predictions on a hidden test set of 46 pairs, and integrated the top-performing models into a postchallenge ensemble. This model outperformed existing state-of-the-art approaches on the hidden test set, reducing RMSE by about 33% to 0.08 and increasing Pearson correlation by 53% to 0.57, and maintained strong performance on an independent validation set of 50 newly designed mixture pairs. An ensemble, retaining only olfactory semantic features for each model included, further improved predictions, raising the Pearson correlation by 7% to 0.61 on the test set and by 15% to 0.54 on the validation set. Given that semantic features were extracted from pure molecules, it suggests that mixture perception may not require fundamentally different representational principles from single-molecule olfaction. Together, these results establish a reproducible quantitative framework for olfactory mixture perception and advance efforts to measure, model, and engineer smell.

1504数理・情報
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