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Optimization Proxies using Limited Labeled Data and Training Time -- A Semi-Supervised Bayesian Neural Network Approach

ICML 2025 · Probabilistic and scientific modeling › Bayesian optimization · approach: Multi-fidelity hyperparameter optimization · 0 citations (OpenAlex)

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Proposes a semi-supervised "Sandwich" Bayesian neural network optimization proxy that alternates supervised cost learning with feasibility-based unsupervised training on augmented inputs, and derives tighter Bernstein-based error bounds using mean predictive variance from the BNN.

Problem

Learning optimization proxies for constrained, non-convex optimization (ACOPF) when labeled data and training time are both severely limited, and providing tight out-of-sample error bounds for them.

Approach

Train a BNN with alternating supervised (labeled cost-optimal) and unsupervised (feasibility-loss on unlabeled inputs with Gaussian likelihood) SVI steps; select posterior weight samples that minimize max equality gap (SvP); and use 2×mean predictive variance as a proxy for total variance in error inside a theoretical Bernstein bound for probabilistic confidence bounds.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use Sandwich BNN SvP instead of the LD + MAE baselineACOPF proxy · ACOPF case57Max Eq.: 0.221 -> 0.027Helped
Use Sandwich BNN SvP instead of the LD + MAE baselineACOPF proxy · ACOPF case118Max Eq.: 1.284 -> 0.089Helped
Use Sandwich BNN SvP instead of the LD + MAE baselineACOPF proxy · ACOPF case500Max Eq.: 11.166 -> 0.770Helped
Use Sandwich BNN SvP instead of the LD + MAE baselineACOPF proxy · ACOPF case2000Max Eq.: 18.870 -> 5.114Helped
Add Selection via Posterior (ablation)Sandwich BNN · ACOPF case57Max Eq.: 0.045 -> 0.027Helped
Add sandwich semi-supervised training (ablation)Supervised BNN SvP · ACOPF case57Max Eq.: 0.083 -> 0.027Helped
Replace BNN with DNN (ablation)Sandwich BNN · ACOPF case118Max Eq.: 0.100 -> 0.585Hurt
Add sandwich semi-supervised training (ablation)Supervised BNN SvP · ACOPF case500Max Eq.: 2.204 -> 0.770Helped
Use Sandwich BNN instead of Supervised BNN (ablation)BNN proxy · Non-OPF (70,20,50)Max-Eq violation: 0.484 -> 0.298Helped
Use Sandwich BNN instead of Supervised BNN (ablation)BNN proxy · Non-OPF (70,20,50)Gap%: 2.6 -> 7.1Hurt
Use Sandwich BNN instead of Supervised BNN (ablation)BNN proxy · Non-OPF (20,10,20)Max-InEq violation: 0.108 -> 0.000Helped
Use the theoretical Bernstein bound with 2 × MPV instead of Hoeffding's boundBNN probabilistic confidence bound · ACOPF case118 voltage errorerror bound (pu): 0.064 -> 0.010Helped

Surprising findings

Limitations

Experimental setup

Datasets: OPFDataset (Torch_Geometric)

Benchmarks: OPFDataset case57 OPFDataset case118 OPFDataset case500 OPFDataset case2000 Donti et al. non-convex QP-type problem

Metrics: Gap% Max Eq. Mean Eq. Max Ineq. Mean Ineq. Bernstein error bound

Baselines: Naïve MAE Naïve MSE MAE + Penalty MSE + Penalty LD + MAE Sandwich DNN Supervised BNN

Builds on: ML4OPF Donti et al. DC3 / feasibility-based learning Hoeffding's inequality empirical Bernstein bound stochastic variational inference

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