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HEAP: Hyper Extended A-PDHG Operator for Constrained High-dim PDEs

ICML 2025 · Probabilistic and scientific modeling › Differential equations and PDEs · approach: Neural operators for general geometries

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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

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use HEAP instead of CSONeural operator · Unconstrained Heat, Burgers, RD, and Black-Scholes equations, d=5–20PDE 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: 0.0028Helped
Use HEAP instead of CSONeural operator · Constrained Heat, Burgers, RD, and Black-Scholes equations, d=5–20PDE 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 -> 0.628Helped
Use HEAP instead of CSONeural operator · Constrained Heat, Burgers, RD, and Black-Scholes equations, d=5–20Physical 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, 0.560Mixed
Use 1 unrolling layer instead of 3 (ablation)HEAP · Black-Scholes, constraint type 1PDE 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 1PDE 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 1PDE 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 1Constraint 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 1Constraint residual: 0.5869 (1 layer); 0.3310 (2); 0.7472 (3); 0.6787 (4)Mixed

Surprising findings

Limitations

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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