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PAPM: A Physics-aware Proxy Model for Process Systems

ICML 2024 · Probabilistic and scientific modeling › Differential equations and PDEs · approach: Physics-informed operator learning · 2 citations (OpenAlex)

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Proposes PAPM, a physics-aware proxy model for process systems that embeds multiple input conditions and the general conservation-law form (diffusion, convection, source terms) into a neural ODE stepping module, evaluated on five 2D benchmarks under time-extrapolation tasks.

Problem

Data-driven proxy models for process systems need large labeled datasets and generalize poorly out-of-sample (e.g., time extrapolation), while existing physics-aware models use only spatial derivatives and are tailored to specific systems.

Approach

Embed the general conservation-law form (diffusive flow, convective flow, internal and external source terms) plus all input conditions (initial/boundary conditions, coefficients, external sources) into the network architecture, with a temporal-spatial stepping module that uses localized convolution, spectral, or hybrid operators and a Neural ODE time integrator.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
use PAPM rather than the strongest listed baselinePAPM · Across nine time-extrapolation tasksmean L2 relative error ε: average performance improvement of 6.7%Helped
integrate coefficient data within conservation and constitutive relationsPAPM · Three coefficient-extrapolation tasksmean L2 relative error ε: 9.6% performance boostHelped
add diffusion flow (DF) (ablation)PAPM · Burgers2d C Int. and C Ext.mean L2 relative error ε: 0.067 -> 0.039; 0.207 -> 0.101Helped
add convection flow (CF) (ablation)PAPM · Burgers2d C Int. and C Ext.mean L2 relative error ε: 0.062 -> 0.039; 0.131 -> 0.101Helped
add diffusion and convection flows (ablation)PAPM · Burgers2d C Int. and C Ext.mean L2 relative error ε: 0.149 -> 0.039; 0.210 -> 0.101Helped
add explicit boundary-condition embedding (ablation)PAPM · Burgers2d C Int. and C Ext.mean L2 relative error ε: 0.068 -> 0.039; 0.136 -> 0.101Helped
use Neural ODE instead of Euler stepping (ablation)PAPM · Burgers2d C Int. and C Ext.mean L2 relative error ε: 0.053 -> 0.039; 0.150 -> 0.101Helped
add physics-aware components rather than use a purely data-driven approach (ablation)PAPM · Burgers2d C Int. and C Ext.mean L2 relative error ε: 0.162 -> 0.039; 0.216 -> 0.101Helped

Surprising findings

Limitations

Experimental setup

Datasets: Burgers2d RD2d NS2d Lid2d NSM2d

Benchmarks: Burgers2d RD2d NS2d Lid2d NSM2d

Metrics: mean L2 relative error FLOPs parameter count

Baselines: ConvLSTM Dil-ResNet time-FNO2D MIONet U-FNet CNO PeRCNN PPNN

Builds on: PPNN PeRCNN FNO Neural ODE DeepONet

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