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2025 ICML ICML 2025

Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks

Abstract

No abstract available. No abstract was captured for this paper when its proceedings were scraped - most often an older edition published without one online. How the corpus is built.

Authors

Keyue Qiu, Yuxuan Song, Jie Yu, Hongbo Ma, Ziyao Cao, Zhilong Zhang, Yushuai Wu, Mingyue Zheng, Hao Zhou, Wei-Ying Ma

Topics

Artificial Intelligence > Core AI > Multimodal Learning Machine Learning > Optimization & Theory > Bayesian Inference Deep Learning > Architectures > Graph Neural Networks

Keywords

bayesian inference gradient guidance sliding window se(3) equivariance scaffold hopping backward correction
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