10 citations · 22 across the 4 of their papers we have counts for
6 papers
MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction
Jiahan Liu, Chaochao Yan, Yang Yu +4
Retrosynthesis is a major task for drug discovery. It is formulated as a graph-generating problem by many existing approaches. Specifically, these methods firstly identify the reac…
Hierarchical Graph Capsule Network
Jinyu Yang, Peilin Zhao, Yu Rong +4
Graph Neural Networks (GNNs) draw their strength from explicitly modeling the topological information of structured data. However, existing GNNs suffer from limited capability in c…
RetroXpert: Decompose Retrosynthesis Prediction like a Chemist
Chaochao Yan, Qianggang Ding, Peilin Zhao +4
Retrosynthesis is the process of recursively decomposing target molecules into available building blocks. It plays an important role in solving problems in organic synthesis planni…
Context-Aware Domain Adaptation in Semantic Segmentation
Jinyu Yang, Weizhi An, Chaochao Yan +2
In this paper, we consider the problem of unsupervised domain adaptation in the semantic segmentation. There are two primary issues in this field, i.e., what and how to transfer do…
Label-Driven Reconstruction for Domain Adaptation in Semantic Segmentation
Jinyu Yang, Weizhi An, Sheng Wang +3
Unsupervised domain adaptation enables to alleviate the need for pixel-wise annotation in the semantic segmentation. One of the most common strategies is to translate images from t…
Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation
Chaochao Yan, Sheng Wang, Jinyu Yang +2
Molecule generation is to design new molecules with specific chemical properties and further to optimize the desired chemical properties. Following previous work, we encode molecul…