Zhonghao Li

Ji Shi, Chengxun Xie, Zhonghao Li et al.

The discovery of new molecules based on the original chemical molecule distributions is of great importance in medicine. The graph transformer, with its advantages of high performance and scalability compared to traditional graph networks, has been widely explored in recent research for applications of graph structures. However, current transformer-based graph decoders struggle to effectively utilize graph information, which limits their capacity to leverage only sequences of nodes rather than the complex topological structures of molecule graphs. This paper focuses on building a graph transformer-based framework for molecular generation, which we call \textbf{JTreeformer} as it transforms graph generation into junction tree generation. It combines GCN parallel with multi-head attention as the encoder. It integrates a directed acyclic GCN into a graph-based Transformer to serve as a decoder, which can iteratively synthesize the entire molecule by leveraging information from the partially constructed molecular structure at each step. In addition, a diffusion model is inserted in the latent space generated by the encoder, to enhance the efficiency and effectiveness of sampling further. The empirical results demonstrate that our novel framework outperforms existing molecule generation methods, thus offering a promising tool to advance drug discovery (https://anonymous.4open.science/r/JTreeformer-C74C).

Zhonghao Li, Ji Shi, Xinming Zhang et al.

Graph Transformers (GTs) have demonstrated superior performance compared to traditional message-passing graph neural networks in many studies, especially in processing graph data with long-range dependencies. However, GTs tend to suffer from weak inductive bias, overfitting and over-globalizing problems due to the dense attention. In this paper, we introduce SFi-attention, a novel attention mechanism designed to learn sparse pattern by minimizing an energy function based on network flows with l1-norm regularization, to relieve those issues caused by dense attention. Furthermore, SFi-Former is accordingly devised which can leverage the sparse attention pattern of SFi-attention to generate sparse network flows beyond adjacency matrix of graph data. Specifically, SFi-Former aggregates features selectively from other nodes through flexible adaptation of the sparse attention, leading to a more robust model. We validate our SFi-Former on various graph datasets, especially those graph data exhibiting long-range dependencies. Experimental results show that our SFi-Former obtains competitive performance on GNN Benchmark datasets and SOTA performance on LongRange Graph Benchmark (LRGB) datasets. Additionally, our model gives rise to smaller generalization gaps, which indicates that it is less prone to over-fitting. Click here for codes.

Chao Wang, Zhonghao Li, Benlai Tang et al.

Recently, phonetic posteriorgrams (PPGs) based methods have been quite popular in non-parallel singing voice conversion systems. However, due to the lack of acoustic information in PPGs, style and naturalness of the converted singing voices are still limited. To solve these problems, in this paper, we utilize an acoustic reference encoder to implicitly model singing characteristics. We experiment with different auxiliary features, including mel spectrograms, HuBERT, and the middle hidden feature (PPG-Mid) of pretrained automatic speech recognition (ASR) model, as the input of the reference encoder, and finally find the HuBERT feature is the best choice. In addition, we use contrastive predictive coding (CPC) module to further smooth the voices by predicting future observations in latent space. Experiments show that, compared with the baseline models, our proposed model can significantly improve the naturalness of converted singing voices and the similarity with the target singer. Moreover, our proposed model can also make the speakers with just speech data sing.

Zhonghao Li, Benlai Tang, Xiang Yin et al.

Singing voice conversion (SVC) aims to convert the voice of one singer to that of other singers while keeping the singing content and melody. On top of recent voice conversion works, we propose a novel model to steadily convert songs while keeping their naturalness and intonation. We build an end-to-end architecture, taking phonetic posteriorgrams (PPGs) as inputs and generating mel spectrograms. Specifically, we implement two separate encoders: one encodes PPGs as content, and the other compresses mel spectrograms to supply acoustic and musical information. To improve the performance on timbre and melody, an adversarial singer confusion module and a mel-regressive representation learning module are designed for the model. Objective and subjective experiments are conducted on our private Chinese singing corpus. Comparing with the baselines, our methods can significantly improve the conversion performance in terms of naturalness, melody, and voice similarity. Moreover, our PPG-based method is proved to be robust for noisy sources.