Learning Protein Structure-Function Relationships through Knowledge-guided Representation Decomposition

arXiv:2605.23960v1 Announce Type: cross Abstract: Proteins encode diverse functions within complex three-dimensional structures, yet most deep learning representations remain highly entangled, obscuring the biophysical signals that underlie function. Here we introduce ProtDiS, a knowledge-guided framework that decomposes pretrained protein micro-environment embeddings into biologically grounded and task-relevant dimensions. Inspired by the information bottleneck principle, ProtDiS learns representations that balance informativeness and compression, yielding structural features that are more sp

Source: arXiv cs.LG — read the full report at the original publisher.

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