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Conformal Inductive Graph Neural Networks

ICLR 2024 · Graph learning › GNN architectures · approach: Graph rewiring and scalable message passing · 1 citations (OpenAlex)

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Adapts conformal prediction to inductive node classification on node- and edge-exchangeable graph sequences by recomputing calibration scores on the current subgraph (NodeEx CP) and using degree-weighted quantiles (EdgeEx CP), recovering 1-alpha coverage at any prediction time.

Problem

Conformal prediction guarantees break in inductive node classification because message passing with newly arriving nodes and edges shifts conformity scores of calibration nodes, so calibration and test scores are no longer exchangeable.

Approach

Under node-exchangeability, the effect of newly arriving nodes is symmetric across calibration and evaluation nodes, so recomputing calibration scores conditional on the current subgraph at each timestep restores exchangeability; under edge-exchangeability, the sequence decomposes into weighted node-exchangeable subsequences with weights 1/deg(v), enabling weighted CP.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Recompute calibration scores conditional on the current graph instead of using pre-arrival scoresNaive CP on Cora-ML · Node-exchangeable sequenceabsolute deviation from coverage guarantee (%): 5.860 -> 0.280Helped
Recompute calibration scores conditional on the current graph instead of using pre-arrival scoresNaive CP on PubMed · Node-exchangeable sequenceabsolute deviation from coverage guarantee (%): 4.649 -> 1.254Helped
Recompute calibration scores conditional on the current graph instead of using pre-arrival scoresNaive CP on CiteSeer · Node-exchangeable sequenceabsolute deviation from coverage guarantee (%): 4.150 -> 0.039Helped
Recompute calibration scores conditional on the current graph instead of using pre-arrival scoresNaive CP on Coauth-CS · Node-exchangeable sequenceabsolute deviation from coverage guarantee (%): 4.082 -> 0.397Helped
Recompute calibration scores conditional on the current graph instead of using pre-arrival scoresNaive CP on Coauth-Phy. · Node-exchangeable sequenceabsolute deviation from coverage guarantee (%): 2.689 -> 0.555Helped
Recompute calibration scores conditional on the current graph instead of using pre-arrival scoresNaive CP on Amz-Comp. · Node-exchangeable sequenceabsolute deviation from coverage guarantee (%): 6.373 -> 0.263Helped
Recompute calibration scores conditional on the current graph instead of using pre-arrival scoresNaive CP on Amz-Photo · Node-exchangeable sequenceabsolute deviation from coverage guarantee (%): 3.483 -> 0.127Helped
Use degree weights when computing the conditional calibration quantileNodeEx CP on Cora-ML · Edge-exchangeable sequenceabsolute deviation from coverage guarantee (%): 3.883 -> 1.929Helped
Use degree weights when computing the conditional calibration quantileNodeEx CP on PubMed · Edge-exchangeable sequenceabsolute deviation from coverage guarantee (%): 3.405 -> 1.241Helped
Use degree weights when computing the conditional calibration quantileNodeEx CP on CiteSeer · Edge-exchangeable sequenceabsolute deviation from coverage guarantee (%): 1.572 -> 0.335Helped
Use degree weights when computing the conditional calibration quantileNodeEx CP on Coauth-CS · Edge-exchangeable sequenceabsolute deviation from coverage guarantee (%): 4.662 -> 3.024Helped
Use degree weights when computing the conditional calibration quantileNodeEx CP on Coauth-Phy. · Edge-exchangeable sequenceabsolute deviation from coverage guarantee (%): 4.378 -> 2.240Helped

Surprising findings

Limitations

Experimental setup

Datasets: CoraML CiteSeer PubMed Coauthor CS Coauthor Physics Amazon Computers Amazon Photos Flickr Reddit2

Benchmarks: CoraML CiteSeer PubMed Coauthor CS Coauthor Physics Amazon Computers Amazon Photos Flickr Reddit2

Metrics: absolute deviation from 90% coverage average set size singleton hit ratio

Baselines: Naive CP NAPS TPS DAPS

Builds on: conformal prediction adaptive prediction sets weighted conformal prediction beyond exchangeability

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