mlsanityData to 14 Oct 2026

MOLAR: Learning Multimodal Molecular Representations from Noisy Labels

arXiv 2606.18390 ↗First posted 16 Jun 2026cs.LG q-bio.QMcited by 1

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Abstract (arXiv)

Motivation: Noisy labels are a common challenge in molecular property prediction because molecular annotations are often obtained from assays, curated databases, or weak annotation pipelines rather than directly observed clean biological states. Treating recorded labels as reliable supervision can cause models to memorize corrupted observations and learn misleading molecular evidence. In multimodal molecular representation learning, this issue can be amplified by graph-text fusion or alignment, which may propagate label-induced errors across modalities. Results: We propose MOLAR, a noise-aware framework for learning multimodal molecular representations from noisy labels. MOLAR separates latent clean-property inference from recorded-label observation: graph and text views contribute residual evidence to a clean-property distribution, and a categorical label-observation channel maps this distribution to recorded labels for training. This formulation derives posterior label reliability and modality-specific molecular evidence from the model. Experiments on naturally noisy molecular benchmarks and controlled label-flipping benchmarks show that MOLAR consistently outperforms representative baselines. Visualization analyses further show that MOLAR provides interpretable reliability and modality-evidence diagnostics.

Key facts. Cited by 1 paper in the map (data through 14 Oct 2026). Builds on 31 of its 53 references that are in the map. First posted on arXiv 16 Jun 2026.

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31 of 53 references.

References · 31

  1. 2016Semi-Supervised Classification with Graph Convolutional Networkscited by 11,361
  2. 2017Graph Attention Networkscited by 8,923
  3. 2018How Powerful are Graph Neural Networks?cited by 4,393
  4. 2020Graph Contrastive Learning with Augmentationscited by 1,208
  5. 2017MoleculeNet: A Benchmark for Molecular Machine Learningcited by 1,051
  6. 2015Convolutional Networks on Graphs for Learning Molecular Fingerprintscited by 754
  7. 2021Large-Scale Chemical Language Representations Capture Molecular Structure and Propertiescited by 206
  8. 2022Translation between Molecules and Natural Languagecited by 177
  9. 2022Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editingcited by 166
  10. 2023Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Modelscited by 133
  11. 2023MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adaptercited by 128
  12. 2023BioT5: Enriching Cross-modal Integration in Biology with Chemical Knowledge and Natural Language Associationscited by 100
19 more
  1. 2023Rethinking Tokenizer and Decoder in Masked Graph Modeling for Moleculescited by 49
  2. 2020Advanced Graph and Sequence Neural Networks for Molecular Property Prediction and Drug Discoverycited by 46
  3. 2022Identifiability of Label Noise Transition Matrixcited by 34
  4. 2022Robust Training of Graph Neural Networks via Noise Governancecited by 29
  5. 2023Fine-Grained Classification with Noisy Labelscited by 15
  6. 2023Molecular Property Prediction Based on Graph Structure Learningcited by 13
  7. 2024Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneckcited by 11
  8. 2024SGAC: A Graph Neural Network Framework for Imbalanced and Structure-Aware AMP Classificationcited by 11
  9. 2025ProtoMol: Enhancing Molecular Property Prediction via Prototype-Guided Multimodal Learningcited by 11
  10. 2022Instance-dependent Label Distribution Estimation for Learning with Label Noisecited by 10
  11. 2024Can Large Language Models Understand Molecules?cited by 10
  12. 2025Nested Graph Pseudo-Label Refinement for Noisy Label Domain Adaptation Learningcited by 10
  13. 2026USBD: Universal Structural Basis Distillation for Source-Free Graph Domain Adaptationcited by 9
  14. 2022Molecular Joint Representation Learning via Multi-modal Informationcited by 8
  15. 2023Difficulty in chirality recognition for Transformer architectures learning chemical structures from stringcited by 7
  16. 2024DuSEGO: Dual Second-order Equivariant Graph Ordinary Differential Equationcited by 6
  17. 2024Degree-Conscious Spiking Graph for Cross-Domain Adaptationcited by 5
  18. 2023Integrating Chemical Language and Molecular Graph in Multimodal Fused Deep Learning for Drug Property Predictioncited by 4
  19. 2026Learning beyond Site Bias for OOD Generalization in Brain Networkscited by 2

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