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This research introduces a Machine Learning-centric approach to replicate olfactory experiences, validated through experimental quantification of perfume perception. Key contributions encompass a hybrid model connecting perfume molecular…

Predicting olfactory perception directly from molecular structure is central to fragrance design that plays a role in a wide range of industries, such as perfumery, food and beverage, and health care. Among olfactory attributes, odor…

化学物理 · 物理学 2026-05-18 Peter Fichtelmann , Julia Westermayr

We present a generalized theoretical framework for olfactory representation and plasticity, using the theory of smooth manifolds and sheaves to depict categorical odor learning via distributed neural computation. Beginning with the space of…

神经元与认知 · 定量生物学 2023-10-13 Jack A. Cook , Thomas A. Cleland

The application of deep learning techniques on aroma-chemicals has resulted in models more accurate than human experts at predicting olfactory qualities. However, public research in this domain has been limited to predicting the qualities…

机器学习 · 计算机科学 2024-06-06 Laura Sisson , Aryan Amit Barsainyan , Mrityunjay Sharma , Ritesh Kumar

Predicting odor's pleasantness simplifies the evaluation of odors and has the potential to be applied in perfumes and environmental monitoring industry. Classical algorithms for predicting odor's pleasantness generally use a manual feature…

机器学习 · 计算机科学 2019-03-20 Danli Wu , Yu Cheng , Dehan Luo , Kin-Yeung Wong , Kevin Hung , Zhijing Yang

Navigation by scent is a capability in robotic systems that is rising in demand. However, current methods often suffer from ambiguities, particularly when robots misattribute odours to incorrect objects due to limitations in olfactory…

机器人学 · 计算机科学 2025-09-23 Kordel K. France , Ovidiu Daescu

Odor visualization translates odor information and perception into visual outcomes and arouses the corresponding olfactory synesthesia, surpassing the spatial limitation that odors can only be perceived where they are present. Traditional…

人机交互 · 计算机科学 2026-02-05 Gang Yu , Yuchi Sun , Weining Yan , Xinyu Wang , Qi Lu

Olfactory perception plays a critical role in both human and organismal interactions, yet understanding of its underlying mechanisms and influencing factors remain insufficient. Molecular structures influence odor perception through…

机器学习 · 计算机科学 2025-02-04 HongXin Xie , JianDe Sun , Yi Shao , Shuai Li , Sujuan Hou , YuLong Sun , Jian Wang

Predicting the relationship between a molecule's structure and its odor remains a difficult, decades-old task. This problem, termed quantitative structure-odor relationship (QSOR) modeling, is an important challenge in chemistry, impacting…

The discovery of novel odorant molecules is key for the fragrance and flavor industries, yet efficiently navigating the vast chemical space to identify structures with desirable olfactory properties remains a significant challenge.…

化学物理 · 物理学 2025-12-30 Tim C. Pearce , Ahmed Ibrahim

Molecular odor prediction has great potential across diverse fields such as chemistry, pharmaceuticals, and environmental science, enabling the rapid design of new materials and enhancing environmental monitoring. However, current methods…

机器学习 · 计算机科学 2025-02-04 HongXin Xie , JianDe Sun , Yi Shao , Shuai Li , Sujuan Hou , YuLong Sun , Yuxiang Liu

Understanding how molecular structure gives rise to odor perception remains a long-standing challenge, with ongoing debate over whether olfaction is primarily governed by molecular shape, vibrational properties, or their interplay at the…

材料科学 · 物理学 2026-04-14 P. Zanineli , E. V. C. Lopes , G. R. Schleder , L. N. Lemos , F. Crasto de Lima , A. Fazzio

One of the key challenges to predict odor from molecular structure is unarguably our limited understanding of the odor space and the complexity of the underlying structure-odor relationships. Here, we show that the predictive performance of…

Given the structure of a novel molecule, there is still no one who can reliably predict what odor percept that molecule will evoke. The challenge comes from both the difficulty in quantitatively characterizing molecular structure, and the…

神经元与认知 · 定量生物学 2018-06-08 Daniel Kepple , Alexei Koulakov

Embeddings from contemporary natural language processing (NLP) models are commonly used as numerical representations for words or sentences. However, odor descriptor words, like "leather" or "fruity", vary significantly between their…

机器学习 · 计算机科学 2022-05-10 Laura Sisson

Olfaction -- how molecules are perceived as odors to humans -- remains poorly understood. Recently, the principal odor map (POM) was introduced to digitize the olfactory properties of single compounds. However, smells in real life are not…

We introduce and study an artificial neural network, inspired by the probabilistic Receptor Affinity Distribution model of olfaction. Our system consists on N sensory neurons whose outputs converge on a single processing linear threshold…

无序系统与神经网络 · 物理学 2007-05-23 N. Caticha , J. E. Palo Tejada , D. Lancet , E. Domany

The olfactory system employs responses of an ensemble of odorant receptors (ORs) to sense molecules and to generate olfactory percepts. Here we hypothesized that ORs can be viewed as 3D spatial filters that extract molecular features…

机器学习 · 计算机科学 2024-12-13 Sergey Shuvaev , Khue Tran , Khristina Samoilova , Cyrille Mascart , Alexei Koulakov

Odor detection underpins food safety, environmental monitoring, medical diagnostics, and many more fields. The current artificial sensors developed for odor detection struggle with complex mixtures while non-invasive recordings lack…

机器学习 · 计算机科学 2025-08-14 Matin Hassanloo , Ali Zareh , Mehmet Kemal Özdemir

While visual and auditory information conveyed by wavelength of light and frequency of sound have been decoded, predicting olfactory information encoded by the combination of odorants remains challenging due to the unknown and potentially…

机器学习 · 计算机科学 2023-05-23 Mengji Zhang , Yusuke Hiki , Akira Funahashi , Tetsuya J. Kobayashi
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