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Learning Iterative Reasoning through Energy Diffusion

ICML 2024 · Probabilistic and scientific modeling › Molecules and proteins · approach: Probabilistic embeddings and relational inference · 3 citations (OpenAlex)

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Proposes IRED, which learns a sequence of annealed energy landscapes with denoising score and contrastive energy supervision so reasoning becomes iterative energy minimization that scales inference steps with difficulty.

Problem

Learning-to-reason models often fail to generalize to harder instances; existing energy-based reasoning models are slow and unstable to train because they backpropagate through the full optimization, and their energy landscapes have many local optima.

Approach

Learn K annealed energy functions trained by denoising score matching (gradient of energy supervised toward injected noise) plus a contrastive loss against noise-corrupted negatives, then solve by gradient descent through landscapes from high to low noise; no backprop through the optimization is needed and inference steps can be increased for harder problems.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
increase optimization steps from 10 to 40 (ablation)IRED · Matrix Inverse, harder difficultyMSE: 0.2110 -> 0.2063Helped
increase optimization steps from 10 to 40 (ablation)IRED · Matrix Inverse, same difficultyMSE: 0.0096 -> 0.0095Helped
use gradient descent instead of the noisy diffusion reverse process (ablation)IRED · Matrix Inverse, same difficultyMSE: 0.0158 -> 0.0097Helped
use gradient descent instead of the noisy diffusion reverse process (ablation)IRED · Matrix Inverse, harder difficultyMSE: 0.2223 -> 0.2135Helped
add multiple optimization steps at each energy landscape (ablation)IRED · Matrix Inverse, harder difficultyMSE: 0.2135 -> 0.2113Helped
add contrastive energy shaping (ablation)IRED · Matrix Inverse, harder difficultyMSE: 0.2113 -> 0.2063Helped
add gradient descent optimization (ablation)IRED · Sudoku harder datasetaccuracy: 35.0% -> 45.1%Helped
add multiple optimization steps at each energy landscape (ablation)IRED · Sudoku harder datasetaccuracy: 45.1% -> 59.7%Helped
add contrastive energy shaping (ablation)IRED · Sudoku harder datasetaccuracy: 59.7% -> 62.1%Helped
add multiple optimization steps at each energy landscape (ablation)IRED · Shortest Path test datasetsuccess rate: 80.7% -> 88.6%Helped
add contrastive energy shaping (ablation)IRED · Shortest Path test datasetsuccess rate: 88.6% -> 92.6%Helped
use IRED instead of RRNSudoku solving · Sudoku harder datasetaccuracy: 28.6% -> 62.1%Helped

Surprising findings

Limitations

Experimental setup

Datasets: SAT-Net Sudoku dataset RRN Sudoku dataset Visual Sudoku randomly generated connectivity graphs randomly generated planning graphs continuous algorithmic reasoning matrix tasks

Benchmarks: Continuous algorithmic reasoning (addition, matrix completion, matrix inverse) Sudoku (SAT-Net test and harder RRN dataset) Visual Sudoku graph connectivity shortest path planning

Metrics: MSE accuracy

Baselines: Feedforward Recurrent Programmatic Diffusion IREM SAT-Net RRN

Builds on: IREM denoising diffusion models Energy-based models

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