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TasteBench establishes a critical multimodal benchmark for using machine learning to predict sensory profiles in sustainable protein development, effectively creating computational proxies for expensive human taste panels. By quantifying the inherent noise in human rater agreement, this work provides a rigorous framework for evaluating AI models that aim to accelerate the design-build-test loop in food science. The release of evaluation infrastructure and baselines marks a significant step toward integrating AI into molecular-level flavor discovery.
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TasteBench: Multimodal Benchmark for Sensory Prediction, from Molecules to Sustainable Foods

arXiv2 min read

arXiv:2610.02599v1 Announce Type: new Abstract: Sustainable protein discovery lacks the fast computational proxies, analogous to molecular docking or density functional theory, that accelerate drug and materials discovery. Evaluating whether a novel food tastes like its animal-based target requires expensive human sensory panels, bottlenecking the design-build-test loop. We introduce TasteBench, a multimodal benchmark and privacy-preserving competition for sensory prediction, spanning two tasks: a food-level ranking task built on 21K+ human evaluations across 215 plant-based foods in 24 product categories, yielding 935 within-category ranking pairs, and a supporting molecular-level taste classification task over 15K flavor molecules. To enable rigorous interpretation of model performance, we characterize the ground truth: inter-rater agreement among panelists is low (Krippendorff's $\alpha = .077$), and the split-half reliability ceiling of panel-aggregated rankings is .825, establishing the range within which ML systems on this benchmark should be assessed. We evaluate baselines across four input modalities; on the same pairs panelists rated, the best model achieves .661 pairwise accuracy, competitive with the median individual panelist (.650), and .683 across all within-category pairs. TasteBench provides the evaluation infrastructure and baselines for measuring progress on computational screening for sustainable protein discovery.

Abstract:Sustainable protein discovery lacks the fast computational proxies, analogous to molecular docking or density functional theory, that accelerate drug and materials discovery. Evaluating whether a novel food tastes like its animal-based target requires expensive human sensory panels, bottlenecking the design-build-test loop. We introduce TasteBench, a multimodal benchmark and privacy-preserving competition for sensory prediction, spanning two tasks: a food-level ranking task built on 21K+ human evaluations across 215 plant-based foods in 24 product categories, yielding 935 within-category ranking pairs, and a supporting molecular-level taste classification task over 15K flavor molecules. To enable rigorous interpretation of model performance, we characterize the ground truth: inter-rater agreement among panelists is low (Krippendorff's $\alpha = .077$), and the split-half reliability ceiling of panel-aggregated rankings is .825, establishing the range within which ML systems on this benchmark should be assessed. We evaluate baselines across four input modalities; on the same pairs panelists rated, the best model achieves .661 pairwise accuracy, competitive with the median individual panelist (.650), and .683 across all within-category pairs. TasteBench provides the evaluation infrastructure and baselines for measuring progress on computational screening for sustainable protein discovery.

First two authors contributed equally. Accepted to NeurIPS 2026, Evaluations & Datasets track. Code available at this https URL

Artificial Intelligence (cs.AI)

arXiv:2610.02599 [cs.AI]

(or arXiv:2610.02599v1 [cs.AI] for this version)

https://doi.org/10.48550/arXiv.2610.02599 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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Full text under the publisher's open licence · 297 words

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