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A machine learning approach that beats Rubik's cubes

NeurIPS 2025 · Learning theory and algorithms › Combinatorial and search optimization · approach: Unsupervised neural combinatorial optimization · 0 citations (OpenAlex)

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Proposes a multi-agent pathfinder that trains ResMLP networks to predict random-walk (diffusion) distance to the solved state and uses beam search, achieving state-of-the-art Rubik's cube solution lengths for 3x3x3, 4x4x4 and 5x5x5 cubes.

Problem

Finding short paths on huge Cayley/Schreier graphs (e.g., 4x4x4 and 5x5x5 Rubik's cube groups with up to 10^74 elements) where exact search methods are infeasible.

Approach

Train a residual MLP on random-walk scrambles to regress the number of steps from the solved state (a diffusion distance estimate), then run beam search guided by these predictions; an ensemble of independently trained agents (each with different random training data) is run and the shortest solution is kept.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Increase beam width from 2^18 to 2^24 (ablation)Ours, 10-layer ResMLP · 3x3x3 Rubik's cube, DeepCubeA datasetaverage solution length: 21.137 -> 20.691Helped
Increase beam width from 2^12 to 2^24 (ablation)Ours, 10-layer ResMLP, 4M train set · 3x3x3 Rubik's cubeaverage solution length: 22.15 -> 20.65Helped
Increase beam width from 2^16 to 2^24 (ablation)Ours, 10-layer ResMLP, 4M train set · 4x4x4 Rubik's cubeaverage solution length: 61.88 -> 50.4Helped
Increase the number of agents (ablation)Ours, multi-agent solver · 3x3x3, 4x4x4, and 5x5x5 Rubik's cubesaverage solution length: up to 8 movesHelped
Increase training set size beyond the tested plateau (ablation)Ours, ResMLP pathfinder · 3x3x3 and 4x4x4 Rubik's cubesaverage solution lengthNo clear effect
Use an 8B-state training set rather than 4B or 16B (ablation)Ours, 10-layer ResMLP · 3x3x3 and 4x4x4 Rubik's cubesaverage solution length: 21.16; 21.12; 21.19; 55.4; 55.11; 55.84Mixed
Use a 10-layer ResMLP instead of a 1-layer MLP (ablation)Ours, single-agent solver · 3x3x3 Rubik's cube, W=2^24average solution length: 20.829 -> 20.691Helped
Use multiple agents instead of one agent (ablation)Ours, 10-layer ResMLP, W=2^24 · 3x3x3 Rubik's cube, DeepCubeA datasetoptimality: 97.3% -> 98.4%Helped
Replace EfficientCube with Ours, 10-layer ResMLP at the same beam width3x3x3 Rubik's cube solving · DeepCubeA datasetaverage solving time: 287.78 s -> 10.91 sHelped
Use Ours, 10-layer ResMLP instead of EfficientCube3x3x3 Rubik's cube solver training · DeepCubeA datasettraining time: 86 hours 25 minutes -> 4 hours 40 minutesHelped

Surprising findings

Limitations

Experimental setup

Datasets: DeepCubeA dataset Kaggle Santa 2023 dataset random-walk generated states

Benchmarks: DeepCubeA 3x3x3 dataset Kaggle Santa 2023 3x3x3, 4x4x4, 5x5x5 datasets

Metrics: average solution length optimality rate solving time

Baselines: DeepCubeA EfficientCube Santa Challenge best results Optimal PDB solver Genetic algorithm

Builds on: DeepCubeA EfficientCube DAVI AlphaZero

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