相关论文: Mol-PECO: a deep learning model to predict human o…

Digital sensing faces challenges in developing sustainable methods to extend the applicability of customized e-noses to complex body odor volatilome (BOV). To address this challenge, we developed MORE-ML, a computational framework that…

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…

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…

Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…

We develop a deep learning algorithm for contour detection with a fully convolutional encoder-decoder network. Different from previous low-level edge detection, our algorithm focuses on detecting higher-level object contours. Our network is…

Molecular communication (MC) has promising potential and a wide range of applications. However, odor-based communication which is common in nature, has not been sufficiently examined within the context of MC, yet. In this paper, we…

The integration of biological principles into artificial olfactory systems has led to significant advancements in odor detection and classification. Inspired by the intricate mechanisms of natural olfaction, researchers are developing…

Patients regularly continue assessment or treatment in other facilities than they began them in, receiving their previous imaging studies as a CD-ROM and requiring clinical staff at the new hospital to import these studies into their local…

A proof-of-concept framework for identifying molecules of unknown elemental composition and structure using experimental rotational data and probabilistic deep learning is presented. Using a minimal set of input data determined…

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…

Recordings from neurons in the insects' olfactory primary processing center, the antennal lobe (AL), reveal that the AL is able to process the input from chemical receptors into distinct neural activity patterns, called olfactory neural…

Odor source localization is a fundamental challenge in molecular communication, environmental monitoring, disaster response, industrial safety, and robotics. In this study, we investigate three major approaches: Bayesian filtering, machine…

Accurate and efficient prediction of polymer properties is of key importance for polymer design. Traditional experimental tools and density function theory (DFT)-based simulations for polymer property evaluation, are both expensive and…

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…

AI models for drug discovery and chemical literature mining must interpret molecular images and generate outputs consistent with 3D geometry and stereochemistry. Most molecular language models rely on strings or graphs, while…

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…

Deep metric learning (DML) is a cornerstone of many computer vision applications. It aims at learning a mapping from the input domain to an embedding space, where semantically similar objects are located nearby and dissimilar objects far…

Determining the aqueous solubility of molecules is a vital step in many pharmaceutical, environmental, and energy storage applications. Despite efforts made over decades, there are still challenges associated with developing a solubility…

We present a deep learning, computer vision algorithm constructed for the purposes of identifying and classifying charged particles in camera image sensors. We apply our algorithm to data collected by the Distributed Electronic Cosmic-ray…

Code Smell, similar to a bad smell, is a surface indication of something tainted but in terms of software writing practices. This metric is an indication of a deeper problem lies within the code and is associated with an issue which is…