Data augmentation using Variational Autoencoders for improvement of respiratory disease classification.

Computerized auscultation of lung sounds is gaining importance today with the availability of lung sounds and its potential in overcoming the limitations of traditional diagnosis methods for respiratory diseases. The publicly available ICBHI respiratory sounds database is severely imbalanced, making it difficult for a deep learning model to generalize and provide reliable results. This work aims to synthesize respiratory sounds of various categories using variants of Variational Autoencoders like Multilayer Perceptron VAE (MLP-VAE), Convolutional VAE (CVAE) Conditional VAE and compare the influence of augmenting the imbalanced dataset on the performance of various lung sound classification models.

Probing the Crystal Structure Landscape by Doping: 4-Bromo, 4-Chloro, and 4-Methylcinnamic Acids.

Accessing the data points in the crystal structure landscape of a molecule is a challenging task, either experimentally or computationally. We have charted the crystal structure landscape of 4-bromocinnamic acid (4BCA) experimentally and computationally: experimental doping is achieved with 4-methylcinnamic acid (4MCA) to obtain new crystal structures; computational doping is performed with 4-chlorocinnamic acid (4CCA) as a model system, because of the difficulties associated in parameterizing the Br atom. The landscape of 4CCA is explored experimentally in turn, also by doping it with 4MCA, and is found to bear a close resemblance to the landscape of 4BCA, justifying the ready miscibility of these two halogenated cinnamic acids to form solid solutions without any change in crystal structure.

Six-Component Molecular Solids: ABC[DEF].

A strategy has been developed to achieve six-component molecular solids. The first part of the protocol involves the design and development of a family of stoichiometric quaternary cocrystals. It relies on the idea that when a molecule is in two distinct crystallographic environments in a lower-order cocrystal it becomes susceptible to substitution by a new molecule at the site where it is more weakly bound, if it is enthalpically advantageous to do so.