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AttNS: Attention-Inspired Numerical Solving For Limited Data Scenarios

ICML 2024 · Probabilistic and scientific modeling › Differential equations and PDEs · approach: Structured continuous-depth models · 0 citations (OpenAlex)

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Proposes AttNS, which adds an attention-style additive correction term (inspired by ResNet attention) to AI-hybrid numerical ODE solvers so they generalize and stay robust with limited training data.

Problem

AI-hybrid numerical solvers for ODEs need large amounts of high-resolution training data for their correction term; with limited data they suffer poor generalization and robustness (numerical explosion on chaotic systems).

Approach

Transfer the ResNet attention mechanism to numerical solvers via the dynamical-system view of ResNet, using an additive attention correction Q[S_hat] that takes the integration term S_hat as input (not the state u_n), with a rational-activation MLP that is Lipschitz, avoiding the multiplicative attention's tendency to collapse to the identity.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Increase attention depth from h=2 to h=3 or h=4 (ablation)AttNS · Spring-mass, k-link pendulum, and elastic pendulumMSE loss: 2.58e-6 -> 2.49e-6; 4.26e-9 -> 4.39e-9; 5.41e-7 -> 5.28e-7 (h=3); 2.58e-6 -> 2.55e-6; 4.26e-9 -> 4.42e-9; 5.41e-7 -> 5.5Mixed
Reduce attention width from d1=1024 to d1=512 (ablation)AttNS · Spring-mass, k-link pendulum, and elastic pendulumMSE loss: 2.58e-6 -> 3.76e-5; 4.26e-9 -> 2.56e-8; 5.41e-7 -> 2.56e-6Hurt
Increase attention width from d1=1024 to d1=2048 (ablation)AttNS · Spring-mass, k-link pendulum, and elastic pendulumMSE loss: 2.58e-6 -> 2.41e-6; 4.26e-9 -> 3.98e-9; 5.41e-7 -> 4.83e-7Helped
Add a skip connection (ablation)AttNS · Spring-mass, k-link pendulum, and elastic pendulumMSE loss: 2.58e-6 -> 4.57e-4; 4.26e-9 -> 6.36e-6; 5.41e-7 -> 1.39e-4Hurt
Use the full integration term ŜΔtc instead of Ŝ as the attention input (ablation)AttNS · Spring-mass and elastic pendulumMSE loss: 2.58e-6 -> 3.67e-6; 5.41e-7 -> 1.65e-6Hurt
Use the full integration term ŜΔtc instead of Ŝ as the attention input (ablation)AttNS · k-link pendulumMSE loss: 4.26e-9 -> 4.18e-9No clear effect
Replace the AttNS attention module with an LSTM (ablation)AttNS · elastic pendulum and k-link pendulumMSE loss: 5.41e-07 -> 7.21e-06; 4.26e-09 -> 1.35e-08Hurt
Replace the AttNS attention module with a Transformer (ablation)AttNS · elastic pendulum and k-link pendulumMSE loss: 5.41e-07 -> 3.64e-04; 4.26e-09 -> 2.65e-06Hurt

Surprising findings

Limitations

Experimental setup

Datasets: spring-mass system simulations k-link pendulum simulations elastic pendulum simulations

Benchmarks: spring-mass system k-link pendulum elastic pendulum

Metrics: MSE loss on test trajectories

Baselines: NeurVec CSM FSNet AttNS-m LSTM Transformer

Builds on: NeurVec ResNet dynamical system perspective SENet

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