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Learning Invariant Molecular Representation in Latent Discrete Space Xiang Zhuang

Neural Information Processing Systems

Molecular representation learning lays the foundation for drug discovery. However, existing methods suffer from poor out-of-distribution (OOD) generalization, particularly when data for training and testing originate from different environments.







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Neural Information Processing Systems

Figure 1: Overview of the Transformer block used in the PromptIR framework. As mentioned in section 3.1.2 Bias-free convolutions are utilized within this submodule. After MDT A Module the features are processed through the GDFN module. Our method effectively removes haze to produce visually better images.