相关论文: Constructing an olfactory perceptual space and pre…

We analyze the psychophysical responses of human observers to an ensemble of monomolecular odorants. Each odorant is characterized by a set of 146 perceptual descriptors obtained from a database of odor character profiles. Each odorant is…

Drug discovery aims to find novel compounds with specified chemical property profiles. In terms of generative modeling, the goal is to learn to sample molecules in the intersection of multiple property constraints. This task becomes…

Here we introduce the Olfactory Perception (OP) benchmark, designed to assess the capability of large language models (LLMs) to reason about smell. The benchmark contains 1,010 questions across eight task categories spanning odor…

Odor-based Molecular Communication (OMC) employs odor molecules to convey information, contributing to the realization of the Internet of Everything (IoE) vision. Despite this, the practical deployment of OMC systems is currently limited by…

This thesis is designed to be a self-contained exposition of the neurobiological and mathematical aspects of sensory perception, memory, and learning with a bias towards olfaction. The final chapters introduce a new approach to modeling…

Animals smelling in the real world use a small number of receptors to sense a vast number of natural molecular mixtures, and proceed to learn arbitrary associations between odors and valences. Here, we propose a new interpretation of how…

Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex…

The olfactory system removes correlations in natural odors using a network of inhibitory neurons in the olfactory bulb. It has been proposed that this network integrates the response from all olfactory receptors and inhibits them equally.…

Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficiently. In this paper, we present a conditional molecular design…

Studies of insect olfactory processing indicate that odors are represented by rich spatio-temporal patterns of neural activity. These patterns are very difficult to predict a priori, yet they are stimulus specific and reliable upon repeated…

Natural odors typically consist of many molecules at different concentrations. It is unclear how the numerous odorant molecules and their possible mixtures are discriminated by relatively few olfactory receptors. Using an…

Predicting human olfactory perception from molecular structure has seen remarkable progress, yet these approaches require explicit chemical structure at inference, which is not available in practical sensing settings. We address this gap by…

We present a model of a coupled system of the olfactory bulb and cortex. Odor inputs to the epithelium are transformed to oscillatory bulbar activities. The cortex recognizes the odor by resonating to the bulbar oscillating pattern when the…

Introduction: Computational modeling has rapidly advanced over the last decades, especially to predict molecular properties for chemistry, material science and drug design. Recently, machine learning techniques have emerged as a powerful…

We present a model of an olfactory system that performs odor segmentation. Based on the anatomy and physiology of natural olfactory systems, it consists of a pair of coupled modules, bulb and cortex. The bulb encodes the odor inputs as…

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…

Our sense of smell relies on sensitive, selective atomic-scale processes that are initiated when a scent molecule meets specific receptors in the nose. However, the physical mechanisms of detection are not clear. While odorant shape and…

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…

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…

A major limitation and a continuing source of confusion in the interpretation of molecular line observations has been the large degree of chemical complexity that is observed in star-forming molecular cores. The past decade has seen…