Zehua Zhang

Zehua Zhang, Zijie Li, Amir Barati Farimani

We propose a mask pretraining method for Graph Neural Networks (GNNs) to improve their performance on fitting potential energy surfaces, particularly in water systems. GNNs are pretrained by recovering spatial information related to masked-out atoms from molecules, then transferred and finetuned on atomic forcefields. Through such pretraining, GNNs learn meaningful prior about structural and underlying physical information of molecule systems that are useful for downstream tasks. From comprehensive experiments and ablation studies, we show that the proposed method improves the accuracy and convergence speed compared to GNNs trained from scratch or using other pretraining techniques such as denoising. On the other hand, our pretraining method is suitable for both energy-centric and force-centric GNNs. This approach showcases its potential to enhance the performance and data efficiency of GNNs in fitting molecular force fields.

Lu Zhang, Mingjiang Wang, Zehua Zhang et al.

The most recent deep neural network (DNN) models exhibit impressive denoising performance in the time-frequency (T-F) magnitude domain. However, the phase is also a critical component of the speech signal that is easily overlooked. In this paper, we propose a multi-branch dilated convolutional network (DCN) to simultaneously enhance the magnitude and phase of noisy speech. A causal and robust monaural speech enhancement system is achieved based on the multi-objective learning framework of the complex spectrum and the ideal ratio mask (IRM) targets. In the process of joint learning, the intermediate estimation of IRM targets is used as a way of generating feature attention factors to realize the information interaction between the two targets. Moreover, the proposed multi-scale dilated convolution enables the DCN model to have a more efficient temporal modeling capability. Experimental results show that compared with other state-of-the-art models, this model achieves better speech quality and intelligibility with less computation.