# Link Prediction with Physics-Inspired Graph Neural Networks

arXiv: https://arxiv.org/abs/2402.14802 · HTML: https://mlsanity.com/paper/2402.14802/

## Key facts

- Cited by 1 papers in the map (data through 14 Oct 2026).
- Builds on 40 of its 54 references that are in the map.
- First posted on arXiv 22 Feb 2024.

## Builds on (most cited first, 30 of 40)

- [Deep Residual Learning for Image Recognition](https://mlsanity.com/paper/1512.03385/) (2015)
- [Adam: A Method for Stochastic Optimization](https://mlsanity.com/paper/1412.6980/) (2014)
- [Semi-Supervised Classification with Graph Convolutional Networks](https://mlsanity.com/paper/1609.02907/) (2016)
- [Neural Machine Translation by Jointly Learning to Align and Translate](https://mlsanity.com/paper/1409.0473/) (2014)
- [Neural Message Passing for Quantum Chemistry](https://mlsanity.com/paper/1704.01212/) (2017)
- [Fast Graph Representation Learning with PyTorch Geometric](https://mlsanity.com/paper/1903.02428/) (2019)
- [DeepONet: Learning nonlinear operators for identifying differential equations based on the universal approximation theorem of operators](https://mlsanity.com/paper/1910.03193/) (2019)
- [Variational Graph Auto-Encoders](https://mlsanity.com/paper/1611.07308/) (2016)
- [Link Prediction Based on Graph Neural Networks](https://mlsanity.com/paper/1802.09691/) (2018)
- [Geom-GCN: Geometric Graph Convolutional Networks](https://mlsanity.com/paper/2002.05287/) (2020)
- [Hamiltonian Neural Networks](https://mlsanity.com/paper/1906.01563/) (2019)
- [Adaptive Universal Generalized PageRank Graph Neural Network](https://mlsanity.com/paper/2006.07988/) (2020)
- [Datasets: A Community Library for Natural Language Processing](https://mlsanity.com/paper/2109.02846/) (2021)
- [A critical look at the evaluation of GNNs under heterophily: Are we really making progress?](https://mlsanity.com/paper/2302.11640/) (2023)
- [Neural Bellman-Ford Networks: A General Graph Neural Network Framework for Link Prediction](https://mlsanity.com/paper/2106.06935/) (2021)
- [GRAND: Graph Neural Diffusion](https://mlsanity.com/paper/2106.10934/) (2021)
- [A Note on Over-Smoothing for Graph Neural Networks](https://mlsanity.com/paper/2006.13318/) (2020)
- [A Survey on Oversmoothing in Graph Neural Networks](https://mlsanity.com/paper/2303.10993/) (2023)
- [Neural Sheaf Diffusion: A Topological Perspective on Heterophily and Oversmoothing in GNNs](https://mlsanity.com/paper/2202.04579/) (2022)
- [Hyperspherical Variational Auto-Encoders](https://mlsanity.com/paper/1804.00891/) (2018)
- [Revisiting Heterophily For Graph Neural Networks](https://mlsanity.com/paper/2210.07606/) (2022)
- [Graph-Coupled Oscillator Networks](https://mlsanity.com/paper/2202.02296/) (2022)
- [Dirichlet Energy Constrained Learning for Deep Graph Neural Networks](https://mlsanity.com/paper/2107.02392/) (2021)
- [Breaking the Limit of Graph Neural Networks by Improving the Assortativity of Graphs with Local Mixing Patterns](https://mlsanity.com/paper/2106.06586/) (2021)
- [Everything is Connected: Graph Neural Networks](https://mlsanity.com/paper/2301.08210/) (2023)
- [Graph Neural Networks for Link Prediction with Subgraph Sketching](https://mlsanity.com/paper/2209.15486/) (2022)
- [Evaluating Graph Neural Networks for Link Prediction: Current Pitfalls and New Benchmarking](https://mlsanity.com/paper/2306.10453/) (2023)
- [When Physics Meets Machine Learning: A Survey of Physics-Informed Machine Learning](https://mlsanity.com/paper/2203.16797/) (2022)
- [Neural Common Neighbor with Completion for Link Prediction](https://mlsanity.com/paper/2302.00890/) (2023)
- [Characterizing Graph Datasets for Node Classification: Homophily-Heterophily Dichotomy and Beyond](https://mlsanity.com/paper/2209.06177/) (2022)

## Built on by (most cited first, 1 of 1)

- [The Heterophilic Graph Learning Handbook: Benchmarks, Models, Theoretical Analysis, Applications and Challenges](https://mlsanity.com/paper/2407.09618/) (2024)

## Abstract (arXiv)

The message-passing mechanism underlying Graph Neural Networks (GNNs) is not naturally suited for heterophilic datasets, where adjacent nodes often have different labels. Most solutions to this problem remain confined to the task of node classification. In this article, we focus on the valuable task of link prediction under heterophily, an interesting problem for recommendation systems, social network analysis, and other applications. GNNs like GRAFF have improved node classification under heterophily by incorporating physics biases in the architecture. Similarly, we propose GRAFF-LP, an extension of GRAFF for link prediction. We show that GRAFF-LP effectively discriminates existing from non-existing edges by learning implicitly to separate the edge gradients. Based on this information, we propose a new readout function inspired by physics. Remarkably, this new function not only enhances the performance of GRAFF-LP but also improves that of other baseline models, leading us to reconsider how every link prediction experiment has been conducted so far. Finally, we provide evidence that even simple GNNs did not experience greater difficulty in predicting heterophilic links compared to homophilic ones. This leads us to believe in the necessity for heterophily measures specifically tailored for link prediction, distinct from those used in node classification. The code and appendix are available at https://github.com/difra100/Link_Prediction_with_PIGNN_IJCNN.