1.2k citations · 7.6k across the 154 of their papers we have counts for
156 papers
FABind: Fast and Accurate Protein-Ligand Binding
Qizhi Pei, Kaiyuan Gao, Lijun Wu +7
Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements i…
Retrosynthesis Prediction with Local Template Retrieval
Shufang Xie, Rui Yan, Junliang Guo +3
Retrosynthesis, which predicts the reactants of a given target molecule, is an essential task for drug discovery. In recent years, the machine learing based retrosynthesis methods…
Extract and Attend: Improving Entity Translation in Neural Machine Translation
Zixin Zeng, Rui Wang, Yichong Leng +4
While Neural Machine Translation(NMT) has achieved great progress in recent years, it still suffers from inaccurate translation of entities (e.g., person/organization name, locatio…
NaturalSpeech 2: Latent Diffusion Models are Natural and Zero-Shot Speech and Singing Synthesizers
Kai Shen, Zeqian Ju, Xu Tan +6
Scaling text-to-speech (TTS) to large-scale, multi-speaker, and in-the-wild datasets is important to capture the diversity in human speech such as speaker identities, prosodies, an…
MolXPT: Wrapping Molecules with Text for Generative Pre-training
Zequn Liu, Wei Zhang, Yingce Xia +5
Generative pre-trained Transformer (GPT) has demonstrates its great success in natural language processing and related techniques have been adapted into molecular modeling. Conside…
ResiDual: Transformer with Dual Residual Connections
Shufang Xie, Huishuai Zhang, Junliang Guo +6
Transformer networks have become the preferred architecture for many tasks due to their state-of-the-art performance. However, the optimal way to implement residual connections in…
Pointerformer: Deep Reinforced Multi-Pointer Transformer for the Traveling Salesman Problem
Yan Jin, Yuandong Ding, Xuanhao Pan +5
Traveling Salesman Problem (TSP), as a classic routing optimization problem originally arising in the domain of transportation and logistics, has become a critical task in broader…
AMOM: Adaptive Masking over Masking for Conditional Masked Language Model
Yisheng Xiao, Ruiyang Xu, Lijun Wu +4
Transformer-based autoregressive (AR) methods have achieved appealing performance for varied sequence-to-sequence generation tasks, e.g., neural machine translation, summarization,…
De Novo Molecular Generation via Connection-aware Motif Mining
Zijie Geng, Shufang Xie, Yingce Xia +6
De novo molecular generation is an essential task for science discovery. Recently, fragment-based deep generative models have attracted much research attention due to their flexibi…
N-Gram Nearest Neighbor Machine Translation
Rui Lv, Junliang Guo, Rui Wang +3
Nearest neighbor machine translation augments the Autoregressive Translation~(AT) with -nearest-neighbor retrieval, by comparing the similarity between the token-level context r…
Regeneration Learning: A Learning Paradigm for Data Generation
Xu Tan, Tao Qin, Jiang Bian +2
Machine learning methods for conditional data generation usually build a mapping from source conditional data X to target data Y. The target Y (e.g., text, speech, music, image, vi…
Retrosynthetic Planning with Dual Value Networks
Guoqing Liu, Di Xue, Shufang Xie +7
Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design…
An Adaptive Deep RL Method for Non-Stationary Environments with Piecewise Stable Context
Xiaoyu Chen, Xiangming Zhu, Yufeng Zheng +8
One of the key challenges in deploying RL to real-world applications is to adapt to variations of unknown environment contexts, such as changing terrains in robotic tasks and fluct…
SoftCorrect: Error Correction with Soft Detection for Automatic Speech Recognition
Yichong Leng, Xu Tan, Wenjie Liu +6
Error correction in automatic speech recognition (ASR) aims to correct those incorrect words in sentences generated by ASR models. Since recent ASR models usually have low word err…
Incorporating Pre-training Paradigm for Antibody Sequence-Structure Co-design
Kaiyuan Gao, Lijun Wu, Jinhua Zhu +8
Antibodies are versatile proteins that can bind to pathogens and provide effective protection for human body. Recently, deep learning-based computational antibody design has attrac…
Museformer: Transformer with Fine- and Coarse-Grained Attention for Music Generation
Botao Yu, Peiling Lu, Rui Wang +6
Symbolic music generation aims to generate music scores automatically. A recent trend is to use Transformer or its variants in music generation, which is, however, suboptimal, beca…
BioGPT: Generative Pre-trained Transformer for Biomedical Text Generation and Mining
Renqian Luo, Liai Sun, Yingce Xia +4
Pre-trained language models have attracted increasing attention in the biomedical domain, inspired by their great success in the general natural language domain. Among the two main…
Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
Kehan Wu, Yingce Xia, Yang Fan +7
Structure-based drug design is drawing growing attentions in computer-aided drug discovery. Compared with the virtual screening approach where a pre-defined library of compounds ar…
MeloForm: Generating Melody with Musical Form based on Expert Systems and Neural Networks
Peiling Lu, Xu Tan, Botao Yu +3
Human usually composes music by organizing elements according to the musical form to express music ideas. However, for neural network-based music generation, it is difficult to do…
Re-creation of Creations: A New Paradigm for Lyric-to-Melody Generation
Ang Lv, Xu Tan, Tao Qin +2
Lyric-to-melody generation is an important task in songwriting, and is also quite challenging due to its unique characteristics: the generated melodies should not only follow good…
Inspector: Pixel-Based Automated Game Testing via Exploration, Detection, and Investigation
Guoqing Liu, Mengzhang Cai, Li Zhao +4
Deep reinforcement learning (DRL) has attracted much attention in automated game testing. Early attempts rely on game internal information for game space exploration, thus requirin…
Unified 2D and 3D Pre-Training of Molecular Representations
Jinhua Zhu, Yingce Xia, Lijun Wu +5
Molecular representation learning has attracted much attention recently. A molecule can be viewed as a 2D graph with nodes/atoms connected by edges/bonds, and can also be represent…
ReLyMe: Improving Lyric-to-Melody Generation by Incorporating Lyric-Melody Relationships
Chen Zhang, Luchin Chang, Songruoyao Wu +4
Lyric-to-melody generation, which generates melody according to given lyrics, is one of the most important automatic music composition tasks. With the rapid development of deep lea…
A Study of Syntactic Multi-Modality in Non-Autoregressive Machine Translation
Kexun Zhang, Rui Wang, Xu Tan +4
It is difficult for non-autoregressive translation (NAT) models to capture the multi-modal distribution of target translations due to their conditional independence assumption, whi…