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Talent Scout

C

Chuqin Geng

McGill University, School of Computer Science

L

Li Zhang

University of Toronto, Department of Computer Science

H

Haolin Ye

McGill University, School of Computer Science

Z

Ziyu Zhao

McGill University, School of Computer Science

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References (25)

[1]
Towards Symbolic XAI - Explanation Through Human Understandable Logical Relationships Between Features
2024Thomas Schnake, F. Jafari et al.
[2]
The Intelligible and Effective Graph Neural Additive Networks
2024Maya Bechler-Speicher, Amir Globerson et al.
[3]
Prototype-Based Interpretable Graph Neural Networks
2024Alessio Ragno, Biagio La Rosa et al.
[4]
GraphTrail: Translating GNN Predictions into Human-Interpretable Logical Rules
2024Burouj Armgaan, Manthan Dalmia et al.
[5]
Global Explainability of GNNs via Logic Combination of Learned Concepts
2022Steve Azzolin, Antonio Longa et al.
[6]
Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery
2022Yunchao Liu, Yu Wang et al.
[7]
Global Concept-Based Interpretability for Graph Neural Networks via Neuron Analysis
2022Xuanyuan Han, Pietro Barbiero et al.
[8]
KerGNNs: Interpretable Graph Neural Networks with Graph Kernels
2022Aosong Feng, Chenyu You et al.
[9]
Parameterized Explainer for Graph Neural Network
2020Dongsheng Luo, Wei Cheng et al.
[10]
Graph Information Bottleneck for Subgraph Recognition
2020Junchi Yu, Tingyang Xu et al.
[11]
TUDataset: A collection of benchmark datasets for learning with graphs
2020Christopher Morris, Nils M. Kriege et al.
[12]
XGNN: Towards Model-Level Explanations of Graph Neural Networks
2020Haonan Yuan, Jiliang Tang et al.
[13]
Explainability Methods for Graph Convolutional Neural Networks
2019Phillip E. Pope, Soheil Kolouri et al.
[14]
GNNExplainer: Generating Explanations for Graph Neural Networks
2019Rex Ying, Dylan Bourgeois et al.
[15]
Logical Expressiveness of Graph Neural Networks
2019P. Barceló, Egor V. Kostylev et al.
[16]
How Powerful are Graph Neural Networks?
2018Keyulu Xu, Weihua Hu et al.
[17]
Graph Attention Networks
2017Petar Velickovic, Guillem Cucurull et al.
[18]
Inductive Representation Learning on Large Graphs
2017William L. Hamilton, Z. Ying et al.
[19]
MoleculeNet: a benchmark for molecular machine learning
2017Zhenqin Wu, Bharath Ramsundar et al.
[20]
Semi-Supervised Classification with Graph Convolutional Networks
2016Thomas Kipf, M. Welling

Showing 20 of 25 references

Founder's Pitch

"Launch SYMGRAPH, a symbolic graph learning framework offering unmatched interpretability and efficiency for high-stakes industries like drug discovery."

Symbolic AIScore: 7View PDF ↗

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0-10 scale

High Potential

1/4 signals

2.5

Quick Build

3/4 signals

7.5

Series A Potential

3/4 signals

7.5

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Why It Matters

This research introduces a new framework that significantly enhances the expressivity and interpretability of graph learning models, which is crucial for high-stakes applications like drug discovery where understanding model decisions can lead to safer and more effective drugs.

Product Angle

To productize this research, the symbolic graph learning framework can be integrated into existing graph analysis software used by industries that require interpretable AI models, such as pharmaceuticals, to enhance their analytical capabilities.

Disruption

SYMGRAPH could replace existing self-explainable GNNs, particularly in applications where interpretability and speed are critical, by providing faster and more interpretable alternatives without sacrificing accuracy.

Product Opportunity

The opportunity lies primarily in high-stakes industries like pharmaceuticals, where the demand for interpretable AI tools is significant due to regulatory and safety concerns. Companies in this domain would pay for software that enhances the explainability and efficiency of graph-based predictive models.

Use Case Idea

Develop a commercial tool for pharmaceutical companies to aid in drug discovery by providing interpretable molecular insights using SYMGRAPH's advanced graph learning capabilities.

Science

The paper introduces SYMGRAPH, a symbolic framework that replaces traditional message passing neural networks with discrete structural hashing and topological role-based aggregation. This approach overcomes the expressivity limitations of current GNN models, offering deeper insights into how decisions are made, especially in complex graph structures.

Method & Eval

SYMGRAPH was evaluated on various datasets and showed performance improvements over existing self-explainable GNN models, achieving 10x to 100x speedups using only CPUs, which underscores its efficiency and practicality.

Caveats

While SYMGRAPH provides improved interpretability and speed, there may be challenges in scaling it to extremely large graphs or integrating it into legacy systems without significant adaptation.

Author Intelligence

Chuqin Geng

McGill University, School of Computer Science
chuqin.geng@mail.mcgill.ca

Li Zhang

University of Toronto, Department of Computer Science

Haolin Ye

McGill University, School of Computer Science

Ziyu Zhao

McGill University, School of Computer Science

Yuhe Jiang

University of Toronto, Department of Computer Science

Tara Saba

University of Toronto, Department of Computer Science

Xinyu Wang

McGill University, School of Computer Science

Xujie Si

University of Toronto, Department of Computer Science
six@cs.toronto.edu