Machine learning-guided synthesis of advanced inorganic materials

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods leads to high uncertainty, numerous trials and exorbitant cost. Recently, machine learning (ML) has demonstrated tremendous potential for material research. Here, we report the application of ML to optimize and accelerate material synthesis process in two representative multi-variable systems. A classification ML model on chemical vapor deposition-grown MoS2 is established, capable of optimizing the synthesis conditions to achieve higher success rate. While a regression model is constructed on the hydrothermal-synthesized carbon quantum dots, to enhance the process-related properties such as the photoluminescence quantum yield. Progressive adaptive model is further developed, aiming to involve ML at the beginning stage of new material synthesis. Optimization of the experimental outcome with minimized number of trials can be achieved with the effective feedback loops. This work serves as proof of concept revealing the feasibility and remarkable capability of ML to facilitate the synthesis of inorganic materials, and opens up a new window for accelerating material development

Listening to features

This work explores nonparametric methods which aim at synthesizing audio from low-dimensionnal acoustic features typically used in MIR frameworks. Several issues prevent this task to be straightforwardly achieved. Such features are designed for analysis and not for synthesis, thus favoring high-level description over easily inverted acoustic representation. Whereas some previous studies already considered the problem of synthesizing audio from features such as Mel-Frequency Cepstral Coefficients, they mainly relied on the explicit formula used to compute those features in order to inverse them. Here, we instead adopt a simple blind approach, where arbitrary sets of features can be used during synthesis and where reconstruction is exemplar-based. After testing the approach on a speech synthesis from well known features problem, we apply it to the more complex task of inverting songs from the Million Song Dataset. What makes this task harder is twofold. First, that features are irregularly spaced in the temporal domain according to an onset-based segmentation. Second the exact method used to compute these features is unknown, although the features for new audio can be computed using their API as a black-box. In this paper, we detail these difficulties and present a framework to nonetheless attempting such synthesis by concatenating audio samples from a training dataset, whose features have been computed beforehand. Samples are selected at the segment level, in the feature space with a simple nearest neighbor search. Additionnal constraints can then be defined to enhance the synthesis pertinence. Preliminary experiments are presented using RWC and GTZAN audio datasets to synthesize tracks from the Million Song Dataset.Comment: Technical Repor

Mandarin Singing Voice Synthesis Based on Harmonic Plus Noise Model and Singing Expression Analysis

The purpose of this study is to investigate how humans interpret musical scores expressively, and then design machines that sing like humans. We consider six factors that have a strong influence on the expression of human singing. The factors are related to the acoustic, phonetic, and musical features of a real singing signal. Given real singing voices recorded following the MIDI scores and lyrics, our analysis module can extract the expression parameters from the real singing signals semi-automatically. The expression parameters are used to control the singing voice synthesis (SVS) system for Mandarin Chinese, which is based on the harmonic plus noise model (HNM). The results of perceptual experiments show that integrating the expression factors into the SVS system yields a notable improvement in perceptual naturalness, clearness, and expressiveness. By one-to-one mapping of the real singing signal and expression controls to the synthesizer, our SVS system can simulate the interpretation of a real singer with the timbre of a speaker.Comment: 8 pages, technical repor