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Moderate Message Passing Improves Calibration: A Universal Way to Mitigate Confidence Bias in Graph Neural Networks

AAAI 2024 · Graph learning › GNN architectures · approach: Graph rewiring and scalable message passing · 5 citations (OpenAlex)

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Shows that GNN confidence bias depends on message aggregation (deep/high-label-rate GNNs are overconfident, shallow ones underconfident) and proposes AU-LS, an adaptive unified label smoothing loss that uses positive or negative smoothing to calibrate GCN and GAT.

Problem

GNN confidence calibration is biased in both directions: prior work reports underconfidence, but deeper GNNs and high label rates can be overconfident. The paper asks how message passing relates to this bias and how to correct both directions.

Approach

Links confidence bias to the amount of message aggregation and proposes AU-LS, which unifies positive label smoothing (for overconfidence) and negative label smoothing (for underconfidence) into one loss with an epoch-dependent harmonic-series adaptive parameter.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
apply AU-LS calibrationGCN (2-layer) · Cora, L/C=20ECE (M=20): 0.0401 -> 0.0356Helped
apply AU-LS calibrationGCN (2-layer) · Citeseer, L/C=20ECE (M=20): 0.0595 -> 0.0435Helped
apply AU-LS calibrationGCN (2-layer) · Pubmed, L/C=20ECE (M=20): 0.0405 -> 0.0376Helped
apply AU-LS calibrationGCN (3-layer) · CoraFull, L/C=20ECE (M=20): 0.1221 -> 0.0577Helped
add unified smoothing to label smoothing (ablation)GCN-2 with LS · Cora, L/C=20ECE (M=20): % -> 0.0715Helped
add the adaptive module to unified label smoothing (ablation)GCN-2 with ULS · Cora, L/C=20ECE (M=20): 0.0715 -> 0.0356Helped
add the adaptive module to unified label smoothing (ablation)GCN-3 with ULS · Cora, L/C=20ECE (M=20): 0.0449 -> 0.0297Helped
use positive-ϵ label smoothing (ablation)underconfident GCN · GCN calibration scenarios in Table 3ECE (M=20)Hurt

Surprising findings

Limitations

Experimental setup

Datasets: Cora Citeseer Pubmed CoraFull

Benchmarks: Cora Citeseer Pubmed CoraFull

Metrics: ECE (M=20)

Baselines: Uncalibrated Temperature Scaling Matrix Scaling CaGCN Label Smoothing Unified Label Smoothing

Builds on: label smoothing temperature scaling CaGCN

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