Additionally, we conduct data-agnostic augmentation via learnable variational dropout, which removes redundant or irrelevant neurons in VAE to generate meaningful augmented views adequately for ...

To clarify whether existing VC techniques can successfully handle these task-specific concerns and how they should be modified to better address them, we consider a variational autoencoder (VAE)-based ...

Our data sharing policy The Royal Society of Chemistry believes that where possible, all data associated with the research in a manuscript should be Findable, Accessible, Interoperable and Reusable ...

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Our framework uncovers relevant chemical characteristics for structure design, offering a pathway for automated optimization of epoxidation reactions. The study also incorporates the concept of data ...