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Generalizable Reasoning through Compositional Energy Minimization

NeurIPS 2025 · Probabilistic and scientific modeling › Molecules and proteins · approach: Counterfactual and statistical explanations · 0 citations (OpenAlex)

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Proposes compositional energy-based reasoning: train EBMs on single-clause/row/edge subproblems with diffusion+contrastive losses, sum energies at test time, and sample with Parallel Energy Minimization (PEM) to generalize to larger N-Queens, 3-SAT, graph coloring and crossword instances.

Problem

Neural reasoning models trained end-to-end map inputs to solutions and generalize poorly to problems larger or more complex than those seen in training, as in N-Queens, 3-SAT, graph coloring and crosswords.

Approach

Learn an energy function over solutions of small subproblems (one row, one clause, one edge, one word), then at test time compose them by summing energies over all subproblems of a larger instance, and sample with a particle-based resampling optimizer (PEM) that discards local minima.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use PEM instead of reverse diffusion for sampling (ablation)Compositional EBM · N-Queenssample qualityHelped
Increase the number of particles during sampling (ablation)Compositional EBM · N-Queens (8-queens)correct instancesHelped
Use diffusion and contrastive losses together instead of either loss alone (ablation)Compositional EBM · 3-SATcorrect instances: 11 with diffusion loss only; 0 with contrastive loss only; 57 with bothHelped
Use PEM instead of baseline samplers (ablation)Compositional EBM · 3-SATcorrect instances: 91 out of 100; baseline samples find at most oneHelped
Finetune the composed model (ablation)Compositional EBM · 3-SAToverall performanceHelped
Increase the number of particles from 8 to 1024 (ablation)Compositional EBM · Graph coloringconflicting edges: 15.0 to 8.0Helped
Use PEM instead of UHMC (ablation)Compositional EBM · Graph coloringconflicting edges: 12.3 with UHMC; 8.0 with PEMHelped
Use contrastive loss only instead of diffusion loss only (ablation)Compositional EBM · Graph coloringconflicting edges: 15.0 with diffusion loss only; 9.0 with contrastive loss onlyHelped
Increase the number of particles during sampling (ablation)PEM · Holme-Kim small graph coloringconflicting edges: 10.60(2.70) at 128; 7.04(3.64) at 1024Mixed
Increase the number of particles during sampling (ablation)PEM · Holme-Kim large graph coloringconflicting edges: 59.00(5.24) at 128; 55.57(4.58) at 2048Helped
Increase the number of optimization timesteps (ablation)PEM · Holme-Kim small graph coloringconflicting edges: 6.98(2.19) at 20; 6.51(2.35) at 1000Mixed
Increase the number of optimization timesteps (ablation)PEM · Holme-Kim large graph coloringconflicting edges: 44.27(7.29) at 20; 42.71(3.93) at 1000Helped

Surprising findings

Limitations

Experimental setup

Datasets: SATLIB COLOR benchmark Mini Crosswords Crosswords QA cnfgen-generated random 3-SAT random graphs (Erdos-Renyi, Holme-Kim, regular expander, Paley, complete)

Benchmarks: N-Queens (8-queens) SATLIB 3-SAT COLOR benchmark random graph coloring distributions Mini Crosswords

Metrics: correct instances average queens placed satisfied clauses conflicting edges word success rate grid completion rate

Baselines: LWD GFlowNets DIFUSCO Fast T2T NeuroSAT NSNet GCN GAT XLVIN GNN-GCP Gemini 2.5 Pro DeepSeek R1

Builds on: denoising diffusion energy-based models sequential Monte Carlo Fast T2T NSNet

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