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Towards Foundation Models for Knowledge Graph Reasoning

ICLR 2024 · Graph learning › Knowledge and temporal graphs · approach: Logical query answering and rule reasoning · 8 citations (OpenAlex)

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Proposes ULTRA, a graph-of-relations based conditional GNN that yields relation representations invariant to vocabulary, enabling a single model pre-trained on three KGs to perform zero-shot and fine-tuned link prediction on 57 KGs.

Problem

Knowledge graph reasoning models typically cannot transfer across KGs with different entity and relation vocabularies; the paper seeks transferable representations enabling fully inductive (new entities and relations) link prediction as a foundation model for KGs.

Approach

Lift a KG to a graph of relations whose four fundamental interactions (h2h, h2t, t2h, t2t) are vocabulary-independent, then run a conditional GNN with an all-ones indicator on the query relation to produce relative relation representations without any input features, feeding them into an NBFNet-style entity-level link predictor.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use pre-trained ULTRA for zero-shot inference instead of dataset-specific supervised modelsULTRA · Total average, 40 graphsMRR: 0.344 -> 0.395Helped
Use pre-trained ULTRA for zero-shot inference instead of dataset-specific supervised modelsULTRA · Transductive, 13 graphsMRR: 0.348 -> 0.312Hurt
Fine-tune the pre-trained model on each target datasetULTRA · Total average, 40 graphsMRR: 0.395 -> 0.422Helped
Fine-tune the pre-trained model on each target datasetULTRA · Pretraining, 3 graphsMRR: 0.439 -> 0.407Hurt
Fine-tune the pre-trained model on each target datasetULTRA · Inductive (e,r), 23 graphsMRR: 0.345 -> 0.397Helped
Remove edge types from the relation graph (ablation)ULTRA · Total average, 54 graphsMRR: 0.366 -> 0.316Hurt
Remove relation edge types and use an unconditional GNN with all-ones node initialization (ablation)ULTRA · Total average, 54 graphsMRR: 0.366 -> 0.199Hurt
Remove relation edge types and use an unconditional GNN with random node initialization (ablation)ULTRA · Total average, 54 graphsMRR: 0.366 -> 0.192Hurt
Increase the number of graphs in the pre-training mixture beyond three (ablation)ULTRA · Inductive datasets, 41 graphsMRRNo clear effect

Surprising findings

Limitations

Experimental setup

Datasets: FB15k-237 WN18RR CoDEx-Medium CoDEx Small CoDEx Large WDsinger NELL23k FB15k237(10/20/50) AristoV4 DBpedia100k ConceptNet100k Hetionet

Benchmarks: FB15k-237 WN18RR CoDEx YAGO3-10 NELL-995 DBpedia100k ConceptNet100k Hetionet GraIL inductive splits ILPC 2022 InGram inductive datasets MTDEA datasets

Metrics: MRR Hits@10 Hits@10 (50 negs)

Baselines: NBFNet InGram ISDEA MTDEA RED-GNN A*Net NodePiece RotatE

Builds on: NBFNet DistMult InGram labeling trick AdamW

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