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Deep Equilibrium Algorithmic Reasoning

NeurIPS 2024 · Graph learning › Graph algorithms and clustering · approach: Neural combinatorial optimization on graphs · 1 citations (OpenAlex)

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Proposes Deep Equilibrium Algorithmic Reasoners (DEARs) that learn algorithms by finding the least fixed point of a GNN processor via DEQ root-finding, without ground-truth step counts, evaluated on CLRS-30.

Problem

Neural algorithmic reasoning models typically unroll a recurrent GNN for a number of steps matched to the algorithm's iterations, requiring ground-truth step counts at train or test time and being slow at inference.

Approach

Treat the algorithm's final state as an equilibrium of the processor and find it directly with a deep equilibrium model root-finder (Anderson solver), returning the least pre-fixed point; motivated by denotational semantics and domain theory (least fixed point of while loops). Adds alignment loss via DP over trajectories, GRANOLA normalisation, and random extra iterations.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
use DEAR instead of NAR (Triplet-MPNN)algorithmic reasoning · DFSaccuracy: 31.20%± 4.02 -> 40.62% ± 0.44Helped
use DEAR instead of NARalgorithmic reasoning · Binary Searchaccuracy: 94.67% ± 2.31 -> 59.00% ± 12.3Hurt
use DEAR instead of NARalgorithmic reasoning · Insertion Sortaccuracy: 63.67% ± 39.97 -> 86.93% ± 3.87Helped
add Cayley Graph Propagation (ablation)DEAR · weighted and unweighted graph algorithmsaccuracy: 96.78% ± 0.43 -> 94.23% ± 0.59; 55.75% ± 2.20 -> 53.20% ± 2.45; 89.81% ± 0.14 -> 89.49% ± 0.17; 88.67% ± 0.74 -> 86.37% Hurt
add trajectory alignment (ablation)DEAR · DAG Shortest Pathsaccuracy: 89.81% ± 0.14 -> 89.65% ± 2.95No clear effect
add trajectory alignment (ablation)DEAR · MST Primaccuracy: 88.67% ± 0.74 -> 90.37% ± 1.19Helped
add trajectory alignment (ablation)DEAR · Binary Searchaccuracy: 59.00% ± 12.3 -> 77.33% ± 4.51Helped
use a Triplet-MPNN processor instead of the default PGN (ablation)DEAR · Floyd-Warshall, DFS, SCC, Parallel Search, Sortaccuracy: 52.53% ± 0.98 -> 62.29% ± 2.71; 40.62% ± 0.44 -> 42.73% ± 2.79; 43.63% ± 1.19 -> 45.12% ± 1.52; 59.00% ± 12.3 -> 87.00% Mixed
revise the binary-search task specificationDEAR · Overallaccuracy: 75.42% -> 78.38%Helped
use DEAR instead of NARalgorithmic reasoning · Bellman-Fordinference time (seconds per sample): 0.0118 -> 0.0215Hurt
use DEAR instead of NARalgorithmic reasoning · Insertion Sortinference time (seconds per sample): 0.5680 -> 0.0260Helped

Surprising findings

Limitations

Experimental setup

Datasets: CLRS-30

Benchmarks: CLRS-30

Metrics: out-of-distribution test accuracy inference time per sample training loss

Baselines: NAR (PGN, no hint) Triplet-MPNN NAR NAR with learnt termination DEM

Builds on: deep equilibrium models CLRS-30 triplet-MPNN Cayley graph propagation GRANOLA

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