SAVJTNNGAN: More Specific Information for Graph Structure Translation

Graph structure translation is an important re-search problem applicable in various scenarios, where graph translation models serve as advantageous tools for relationship prediction and network optimization. The application of graph translation in the field of drug molecules is a prominent area of deep learning implementation, focusing on optimizing target properties while maintaining a certain similarity between evolved molecules. To enhance the success rate of translation, we propose a new molecular translation model based on the VJTNNGAN model, which integrates SAGAN to optimize feature extraction using a message passing network combined with attention mechanisms. Additionally, we enhance the performance of the graph decoder by incorporating graph decoding information into GAN network training. Finally, we validate the translation performance of the SAVJTNNGAN network through testing on relevant datasets. And the translation success rate has improved on both the QED and Drd2 datasets.

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Published
2024-11-01
DOI
https://doi.org/10.1109/cac63892.2024.10865738
Primary Topic
Semantic Web and Ontologies
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article
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article

SAVJTNNGAN: More Specific Information for Graph Structure Translation

Yaonan Wang, Bo Ouyang, Qing Zhu, Wenbin He
Semantic Web and Ontologies
article

SAVJTNNGAN: More Specific Information for Graph Structure Translation

Yaonan Wang, Bo Ouyang, Qing Zhu, Wenbin He
article en

Abstract

Graph structure translation is an important re-search problem applicable in various scenarios, where graph translation models serve as advantageous tools for relationship prediction and network optimization. The application of graph translation in the field of drug molecules is a prominent area of deep learning implementation, focusing on optimizing target properties while maintaining a certain similarity between evolved molecules. To enhance the success rate of translation, we propose a new molecular translation model based on the VJTNNGAN model, which integrates SAGAN to optimize feature extraction using a message passing network combined with attention mechanisms. Additionally, we enhance the performance of the graph decoder by incorporating graph decoding information into GAN network training. Finally, we validate the translation performance of the SAVJTNNGAN network through testing on relevant datasets. And the translation success rate has improved on both the QED and Drd2 datasets.

Hunan University (CN)
Openalex Percentile: Top 75%
Semantic Web and Ontologies
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SAVJTNNGAN: More Specific Information for Graph Structure Translation — Yaonan Wang, Bo Ouyang, et al. · (2024) | TGRS Research Map | TGRS