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Summary of Conditional Prediction Roc Bands For Graph Classification, by Yujia Wu et al.


Conditional Prediction ROC Bands for Graph Classification

by Yujia Wu, Bo Yang, Elynn Chen, Yuzhou Chen, Zheshi Zheng

First submitted to arxiv on: 20 Oct 2024

Categories

  • Main: Machine Learning (cs.LG)
  • Secondary: Machine Learning (stat.ML)

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Summary difficulty Written by Summary
High Paper authors High Difficulty Summary
Read the original abstract here
Medium GrooveSquid.com (original content) Medium Difficulty Summary
The paper introduces Conditional Prediction ROC (CP-ROC) bands for graph classification in medical imaging and drug discovery. CP-ROC provides uncertainty quantification for receiver operating characteristic (ROC) curves and is robust to distributional shifts in test data. Although designed for Tensorized Graph Neural Networks (TGNNs), CP-ROC is adaptable to general Graph Neural Networks (GNNs) and other machine learning models. The authors establish statistically guaranteed coverage for CP-ROC under a local exchangeability condition, addressing uncertainty challenges for ROC curves under non-independent and identically distributed (non-iid) settings. They also introduce a data-driven approach to construct local calibration sets for graphs, enabling the establishment of local exchangeability for TGNNs. Comprehensive evaluations demonstrate that CP-ROC significantly improves prediction reliability across diverse tasks.
Low GrooveSquid.com (original content) Low Difficulty Summary
This paper solves a big problem in medical imaging and drug discovery. It helps doctors and scientists make more accurate predictions by providing a new way to measure uncertainty. This is important because medical images and molecules are very different from one another, making it hard to predict what will happen. The authors create a special tool called CP-ROC that can handle this challenge. They show that their tool works well in many different situations and improves the reliability of predictions.

Keywords

* Artificial intelligence  * Classification  * Machine learning