Multitask Extension of Geometrically Aligned Transfer Encoder
arxiv(2024)
摘要
Molecular datasets often suffer from a lack of data. It is well-known that
gathering data is difficult due to the complexity of experimentation or
simulation involved. Here, we leverage mutual information across different
tasks in molecular data to address this issue. We extend an algorithm that
utilizes the geometric characteristics of the encoding space, known as the
Geometrically Aligned Transfer Encoder (GATE), to a multi-task setup. Thus, we
connect multiple molecular tasks by aligning the curved coordinates onto
locally flat coordinates, ensuring the flow of information from source tasks to
support performance on target data.
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