# Node-based Knowledge Graph Contrastive Learning for Medical Relationship Prediction

arXiv: https://arxiv.org/abs/2310.10138 · HTML: https://mlsanity.com/paper/2310.10138/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 30 of its 53 references that are in the map.
- First posted on arXiv 16 Oct 2023.

## Builds on (most cited first, 30 of 30)

- [SGDR: Stochastic Gradient Descent with Warm Restarts](https://mlsanity.com/paper/1608.03983/) (2016)
- [Modeling Relational Data with Graph Convolutional Networks](https://mlsanity.com/paper/1703.06103/) (2017)
- [Graph Contrastive Learning with Augmentations](https://mlsanity.com/paper/2010.13902/) (2020)
- [Embedding Entities and Relations for Learning and Inference in Knowledge Bases](https://mlsanity.com/paper/1412.6575/) (2014)
- [Complex Embeddings for Simple Link Prediction](https://mlsanity.com/paper/1606.06357/) (2016)
- [RotatE: Knowledge Graph Embedding by Relational Rotation in Complex Space](https://mlsanity.com/paper/1902.10197/) (2019)
- [Convolutional 2D Knowledge Graph Embeddings](https://mlsanity.com/paper/1707.01476/) (2017)
- [Deep Graph Contrastive Representation Learning](https://mlsanity.com/paper/2006.04131/) (2020)
- [KG-BERT: BERT for Knowledge Graph Completion](https://mlsanity.com/paper/1909.03193/) (2019)
- [TuckER: Tensor Factorization for Knowledge Graph Completion](https://mlsanity.com/paper/1901.09590/) (2019)
- [SimplE Embedding for Link Prediction in Knowledge Graphs](https://mlsanity.com/paper/1802.04868/) (2018)
- [Holographic Embeddings of Knowledge Graphs](https://mlsanity.com/paper/1510.04935/) (2015)
- [Quaternion Knowledge Graph Embeddings](https://mlsanity.com/paper/1904.10281/) (2019)
- [End-to-end Structure-Aware Convolutional Networks for Knowledge Base Completion](https://mlsanity.com/paper/1811.04441/) (2018)
- [Learning Hierarchy-Aware Knowledge Graph Embeddings for Link Prediction](https://mlsanity.com/paper/1911.09419/) (2019)
- [Learning Attention-based Embeddings for Relation Prediction in Knowledge Graphs](https://mlsanity.com/paper/1906.01195/) (2019)
- [SimKGC: Simple Contrastive Knowledge Graph Completion with Pre-trained Language Models](https://mlsanity.com/paper/2203.02167/) (2022)
- [AutoGCL: Automated Graph Contrastive Learning via Learnable View Generators](https://mlsanity.com/paper/2109.10259/) (2021)
- [Analogical Inference for Multi-Relational Embeddings](https://mlsanity.com/paper/1705.02426/) (2017)
- [PairRE: Knowledge Graph Embeddings via Paired Relation Vectors](https://mlsanity.com/paper/2011.03798/) (2020)
- [Inductive Entity Representations from Text via Link Prediction](https://mlsanity.com/paper/2010.03496/) (2020)
- [InteractE: Improving Convolution-based Knowledge Graph Embeddings by Increasing Feature Interactions](https://mlsanity.com/paper/1911.00219/) (2019)
- [Knowledge Graph Contrastive Learning Based on Relation-Symmetrical Structure](https://mlsanity.com/paper/2211.10738/) (2022)
- [HousE: Knowledge Graph Embedding with Householder Parameterization](https://mlsanity.com/paper/2202.07919/) (2022)
- [A Survey of Knowledge Graph Embedding and Their Applications](https://mlsanity.com/paper/2107.07842/) (2021)
- [How Does Knowledge Graph Embedding Extrapolate to Unseen Data: A Semantic Evidence View](https://mlsanity.com/paper/2109.11800/) (2021)
- [Knowledge Graph Embeddings and Explainable AI](https://mlsanity.com/paper/2004.14843/) (2020)
- [Highly Efficient Knowledge Graph Embedding Learning with Orthogonal Procrustes Analysis](https://mlsanity.com/paper/2104.04676/) (2021)
- [Graph Contrastive Learning with Implicit Augmentations](https://mlsanity.com/paper/2211.03710/) (2022)
- [MEKER: Memory Efficient Knowledge Embedding Representation for Link Prediction and Question Answering](https://mlsanity.com/paper/2204.10629/) (2022)

## Abstract (arXiv)

The embedding of Biomedical Knowledge Graphs (BKGs) generates robust representations, valuable for a variety of artificial intelligence applications, including predicting drug combinations and reasoning disease-drug relationships. Meanwhile, contrastive learning (CL) is widely employed to enhance the distinctiveness of these representations. However, constructing suitable contrastive pairs for CL, especially within Knowledge Graphs (KGs), has been challenging. In this paper, we proposed a novel node-based contrastive learning method for knowledge graph embedding, NC-KGE. NC-KGE enhances knowledge extraction in embeddings and speeds up training convergence by constructing appropriate contrastive node pairs on KGs. This scheme can be easily integrated with other knowledge graph embedding (KGE) methods. For downstream task such as biochemical relationship prediction, we have incorporated a relation-aware attention mechanism into NC-KGE, focusing on the semantic relationships and node interactions. Extensive experiments show that NC-KGE performs competitively with state-of-the-art models on public datasets like FB15k-237 and WN18RR. Particularly in biomedical relationship prediction tasks, NC-KGE outperforms all baselines on datasets such as PharmKG8k-28, DRKG17k-21, and BioKG72k-14, especially in predicting drug combination relationships. We release our code at https://github.com/zhi520/NC-KGE.