Zhang Xinyi — accepted AI-conference papers

2025

Multi-Objective Molecular Design Through Learning Latent Pareto Set

Yiping Liu, Jiahao Yang, Xuanbai Ren, Zhang Xinyi, Yuansheng Liu, Bosheng Song +2

AAAI 2025technical

Molecular design inherently involves the optimization of multiple conflicting objectives, such as enhancing bio-activity and ensuring synthesizability. Evaluating these objectives often requires resource-intensive computations or physical experiments. Current molecular design methodologies typically…

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2019

Capsule Graph Neural Network

Zhang Xinyi, Lihui Chen

ICLR 2019poster

The high-quality node embeddings learned from the Graph Neural Networks (GNNs) have been applied to a wide range of node-based applications and some of them have achieved state-of-the-art (SOTA) performance. However, when applying node embeddings learned from GNNs to generate graph embeddings, the s…

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