# InfoGraph: Unsupervised and Semi-supervised Graph-Level Representation Learning via Mutual Information Maximization

arXiv: https://arxiv.org/abs/1908.01000 · HTML: https://mlsanity.com/paper/1908.01000/

## Key facts

- Cited by 441 papers in the map (data through 14 Oct 2026).
- First posted on arXiv 31 Jul 2019.

## Built on by (most cited first, 30 of 441)

- [GraphMAE: Self-Supervised Masked Graph Autoencoders](https://mlsanity.com/paper/2205.10803/) (2022)
- [Graph Self-Supervised Learning: A Survey](https://mlsanity.com/paper/2103.00111/) (2021)
- [Graph Contrastive Learning Automated](https://mlsanity.com/paper/2106.07594/) (2021)
- [Pre-training Molecular Graph Representation with 3D Geometry](https://mlsanity.com/paper/2110.07728/) (2021)
- [ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction](https://mlsanity.com/paper/2106.06130/) (2021)
- [Adversarial Graph Augmentation to Improve Graph Contrastive Learning](https://mlsanity.com/paper/2106.05819/) (2021)
- [Large-Scale Representation Learning on Graphs via Bootstrapping](https://mlsanity.com/paper/2102.06514/) (2021)
- [Self-Supervised Learning of Graph Neural Networks: A Unified Review](https://mlsanity.com/paper/2102.10757/) (2021)
- [SimGRACE: A Simple Framework for Graph Contrastive Learning without Data Augmentation](https://mlsanity.com/paper/2202.03104/) (2022)
- [GraphPrompt: Unifying Pre-Training and Downstream Tasks for Graph Neural Networks](https://mlsanity.com/paper/2302.08043/) (2023)
- [Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editing](https://mlsanity.com/paper/2212.10789/) (2022)
- [Motif-based Graph Self-Supervised Learning for Molecular Property Prediction](https://mlsanity.com/paper/2110.00987/) (2021)
- [Self-Supervised Representation Learning: Introduction, Advances and Challenges](https://mlsanity.com/paper/2110.09327/) (2021)
- [From Canonical Correlation Analysis to Self-supervised Graph Neural Networks](https://mlsanity.com/paper/2106.12484/) (2021)
- [Self-supervised Learning on Graphs: Contrastive, Generative,or Predictive](https://mlsanity.com/paper/2105.07342/) (2021)
- [GraphMAE2: A Decoding-Enhanced Masked Self-Supervised Graph Learner](https://mlsanity.com/paper/2304.04779/) (2023)
- [Self-supervised Graph-level Representation Learning with Local and Global Structure](https://mlsanity.com/paper/2106.04113/) (2021)
- [Pre-training via Denoising for Molecular Property Prediction](https://mlsanity.com/paper/2206.00133/) (2022)
- [An Empirical Study of Graph Contrastive Learning](https://mlsanity.com/paper/2109.01116/) (2021)
- [InfoGCL: Information-Aware Graph Contrastive Learning](https://mlsanity.com/paper/2110.15438/) (2021)
- [Universal Prompt Tuning for Graph Neural Networks](https://mlsanity.com/paper/2209.15240/) (2022)
- [Interventional Video Grounding with Dual Contrastive Learning](https://mlsanity.com/paper/2106.11013/) (2021)
- [Augmentation-Free Self-Supervised Learning on Graphs](https://mlsanity.com/paper/2112.02472/) (2021)
- [Deep Isolation Forest for Anomaly Detection](https://mlsanity.com/paper/2206.06602/) (2022)
- [Extending the WILDS Benchmark for Unsupervised Adaptation](https://mlsanity.com/paper/2112.05090/) (2021)
- [Improving Graph Collaborative Filtering with Neighborhood-enriched Contrastive Learning](https://mlsanity.com/paper/2202.06200/) (2022)
- [Graph-based Semi-supervised Learning: A Comprehensive Review](https://mlsanity.com/paper/2102.13303/) (2021)
- [PEER: A Comprehensive and Multi-Task Benchmark for Protein Sequence Understanding](https://mlsanity.com/paper/2206.02096/) (2022)
- [One Transformer Can Understand Both 2D & 3D Molecular Data](https://mlsanity.com/paper/2210.01765/) (2022)
- [DIG: A Turnkey Library for Diving into Graph Deep Learning Research](https://mlsanity.com/paper/2103.12608/) (2021)

## Abstract (arXiv)

This paper studies learning the representations of whole graphs in both unsupervised and semi-supervised scenarios. Graph-level representations are critical in a variety of real-world applications such as predicting the properties of molecules and community analysis in social networks. Traditional graph kernel based methods are simple, yet effective for obtaining fixed-length representations for graphs but they suffer from poor generalization due to hand-crafted designs. There are also some recent methods based on language models (e.g. graph2vec) but they tend to only consider certain substructures (e.g. subtrees) as graph representatives. Inspired by recent progress of unsupervised representation learning, in this paper we proposed a novel method called InfoGraph for learning graph-level representations. We maximize the mutual information between the graph-level representation and the representations of substructures of different scales (e.g., nodes, edges, triangles). By doing so, the graph-level representations encode aspects of the data that are shared across different scales of substructures. Furthermore, we further propose InfoGraph*, an extension of InfoGraph for semi-supervised scenarios. InfoGraph* maximizes the mutual information between unsupervised graph representations learned by InfoGraph and the representations learned by existing supervised methods. As a result, the supervised encoder learns from unlabeled data while preserving the latent semantic space favored by the current supervised task. Experimental results on the tasks of graph classification and molecular property prediction show that InfoGraph is superior to state-of-the-art baselines and InfoGraph* can achieve performance competitive with state-of-the-art semi-supervised models.