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Can Transformers Smell Like Humans?
Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Systems and Control. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Automatic control. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Artificial Intelligence.ORCID iD: 0000-0003-3632-8529
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2024 (English)In: NIPS '24: Proceedings of the 38th International Conference on Neural Information Processing Systems, ACM Digital Library, 2024, p. 72032-72060Conference paper, Published paper (Refereed)
Abstract [en]

The human brain encodes stimuli from the environment into representations that form a sensory perception of the world. Despite recent advances in understanding visual and auditory perception, olfactory perception remains an under-explored topic in the machine learning community due to the lack of large-scale datasets annotated with labels of human olfactory perception. In this work, we ask the question of whether pre-trained transformer models of chemical structures encode representations that are aligned with human olfactory perception, i.e., can transformers smell like humans? We demonstrate that representations encoded from transformers pre-trained on general chemical structures are highly aligned with human olfactory perception. We use multiple datasets and different types of perceptual representations to show that the representations encoded by transformer models are able to predict: (i) labels associated with odorants provided by experts; (ii) continuous ratings provided by human participants with respect to pre-defined descriptors; and (iii) similarity ratings between odorants provided by human participants. Finally, we evaluate the extent to which this alignment is associated with physicochemical features of odorants known to be relevant for olfactory decoding.

Place, publisher, year, edition, pages
ACM Digital Library, 2024. p. 72032-72060
Series
Advances in Neural Information Processing Systems, ISSN 1049-5258
National Category
Electrical Engineering, Electronic Engineering, Information Engineering
Identifiers
URN: urn:nbn:se:uu:diva-547354DOI: 10.5555/3737916.3740216ISI: 001633268100040ISBN: 979-8-3313-1438-5 (electronic)OAI: oai:DiVA.org:uu-547354DiVA, id: diva2:1927819
Conference
2024 38th Conference on Neural Information Processing Systems-NeurIPS, Vancouver, CANADA, DEC 10-15, 2024
Available from: 2025-01-15 Created: 2025-01-15 Last updated: 2026-05-21Bibliographically approved

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Horta Ribeiro, Antônio

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CiteExportLink to record
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Citation style
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