Contrastive MIM: A Contrastive Mutual Information Framework for Unified Generative and Discriminative Representation Learning

06 Sept 2025 (modified: 16 Oct 2025)Submitted to NeurIPS 2025 2nd Workshop FM4LSEveryoneRevisionsBibTeXCC BY 4.0
Keywords: representation learning, contrastive learning, latent variable models, probabilistic models
TL;DR: We introduce cMIM for life-sciences tasks, a contrastive extension of the probabilistic auto-encoder MIM, that unifies generative and discriminative representation learning without contrastive data augmentation and is robust to small batch sizes.
Abstract: We present Contrastive Mutual Information Machine (cMIM), a probabilistic framework that adds a contrastive objective to the Mutual Information Machine (MIM) , yielding representations that are effective for both discriminative and generative tasks. Unlike conventional contrastive learning, cMIM does not require positive data augmentations and exhibits reduced sensitivity to batch size. We further introduce informative embeddings, a generic training-free method to extract enriched features from decoder hidden states of encoder--decoder models. We evaluate cMIM on life-science tasks, including molecular property prediction on ZINC-15 (ESOL, FreeSolv, Lipophilicity) and biomedical image classification (MedMNIST). cMIM consistently improves downstream accuracy over MIM and InfoNCE baselines while maintaining comparable reconstruction quality. These results indicate cMIM is a promising foundation-style representation learner for biomolecular and biomedical applications and is readily extendable to multi-modal settings (e.g., molecules + omics + imaging).
Submission Number: 70
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