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HEAP: Hyper Extended A-PDHG Operator for Constrained High-dim PDEs
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Proposes HEAP, a neural operator that unrolls a truncated adaptive PDHG QP solver into a hypernetwork-driven architecture to learn parameter-space evolution for constrained high-dimensional PDEs.
Problem
Neural operators for high-dimensional PDEs struggle to enforce additional equality/inequality constraints beyond the governing equations, causing instability, slow convergence, and constraint violation.
Approach
Formulate the parameter-evolution operator as a QP (via Monte Carlo sampling and Taylor linearization of constraints), then unroll K=3 iterations of adaptive PDHG into a hypernetwork-conditioned architecture with learnable step sizes, momentum, and expansion weights, using differentiable projections.
Key results
- On unconstrained PDEs, HEAP has lower L2 relative PDE residual than CSO at all dimensions tested (e.g., Heat d=5: 0.0041 vs 0.0222).
- On constrained Black-Scholes Type 2 at d=20, HEAP's constraint violation is 0.0165 vs CSO's 0.6936 (reported in the constraint-violation table).
- HEAP costs about 1.6x GPU memory and roughly 2x training/inference time compared with CSO.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Use HEAP instead of CSO | Neural operator · Unconstrained Heat, Burgers, RD, and Black-Scholes equations, d=5–20 | PDE L2 relative error: Heat: 0.0222 -> 0.0041 (d=5), 0.0218 -> 0.0068 (d=10), 0.0218 -> 0.0106 (d=15), 0.0273 -> 0.0141 (d=20); Burgers: 0.0028 | Helped |
| Use HEAP instead of CSO | Neural operator · Constrained Heat, Burgers, RD, and Black-Scholes equations, d=5–20 | PDE L2 relative error or accumulated residual: Heat: 0.0030 -> 0.0025, 0.0187 -> 0.0044, 0.0136 -> 0.0092, 0.0407 -> 0.0169; Burgers: 0.9798 -> 0.7377, 0.9125 -> 0.628 | Helped |
| Use HEAP instead of CSO | Neural operator · Constrained Heat, Burgers, RD, and Black-Scholes equations, d=5–20 | Physical constraint violation: Heat: 0.2944 -> 0.2540, 0.2843 -> 0.2234, 0.0080 -> 0.0168, 1.58 × 10−4 -> 3.21 × 10−5; Burgers: 0.4544 -> 0.4224, 0.560 | Mixed |
| Use 1 unrolling layer instead of 3 (ablation) | HEAP · Black-Scholes, constraint type 1 | PDE residual: 0.9630 (extended dim 5); 0.8557 (10); 0.9181 (20) | Mixed |
| Use 2 unrolling layers instead of 3 (ablation) | HEAP · Black-Scholes, constraint type 1 | PDE residual: 0.5205 (extended dim 5); 0.5246 (10); 0.4298 (20) | Helped |
| Use 4 unrolling layers instead of 3 (ablation) | HEAP · Black-Scholes, constraint type 1 | PDE residual: 4.5298 (extended dim 5); 1.5917 (10); 1.5857 (20) | Hurt |
| Use extended dimension 5 instead of 20 (ablation) | HEAP · Black-Scholes, constraint type 1 | Constraint residual: 0.5084 (1 layer); 0.1163 (2); 0.4339 (3); 0.3460 (4) | Mixed |
| Use extended dimension 10 instead of 20 (ablation) | HEAP · Black-Scholes, constraint type 1 | Constraint residual: 0.5869 (1 layer); 0.3310 (2); 0.7472 (3); 0.6787 (4) | Mixed |
Surprising findings
- Unrolling more than 3 layers or larger extended dimensions does not consistently improve accuracy in the ablation, with K=3 described as robust.
Limitations
- Runs about 2x slower and uses 1.6x GPU memory compared with the CSO baseline.
- Constraint handling is soft (penalty-based) rather than strictly enforced, and the QP is approximated by Monte Carlo sampling and first-order Taylor expansion.
- Only one baseline (CSO) is compared, and results on several constrained cases remain high in absolute residual.
Experimental setup
Datasets: synthetic PDE initial conditions (Heat, Burgers-type, Reaction-Diffusion, Black-Scholes)
Benchmarks: Heat (unconstrained and constrained) Burgers-type Reaction-Diffusion Black-Scholes
Metrics: L2 relative PDE residual accumulated PDE residual normalized physical constraint violation
Baselines: CSO
Builds on: CSO (Control-based Solution Operator) A-PDHG Neural ODE PDQP
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