Muon with Spectral Guidance: Efficient Optimization for Scientific Machine Learning
Authors: Binghang Lu, Jiahao Zhang, Guang Lin
Organizations: Department of Mathematics, Purdue University, West Lafayette, IN 47907, USA · Department of Mathematics & School of Mechanical Engineering, Purdue University, West Lafayette, IN 47907, USA
Physics-informed neural networks and neural operators often suffer from severe optimization difficulties caused by ill-conditioned gradients, multi-scale spectral behavior, and stiffness induced by physical constraints. Recently, the Muon optimizer has shown promise by performing orthogonalized updates in the singular-vector basis of the gradient, thereby improving geometric conditioning. However, its unit-singular-value updates may lead to overly aggressive steps and lack explicit stability guarantees when applied to physics-informed learning. In this work, we propose SpecMuon, a spectral-aware optimizer that integrates Muon's orthogonalized geometry with a mode-wise relaxed scalar auxiliary variable (RSAV) mechanism. By decomposing matrix-valued gradients into singular modes and applying RSAV updates individually along dominant spectral directions, SpecMuon adaptively regulates step sizes according to the global loss energy while preserving Muon's scale-balancing properties. This formulation interprets optimization as a multi-mode gradient flow and enables principled control of stiff spectral components. We establish rigorous theoretical properties of SpecMuon, including a modified energy dissipation law, positivity and boundedness of auxiliary variables, and global convergence with a linear rate under the Polyak-Lojasiewicz condition. Numerical experiments on physics-informed neural networks, DeepONets, and fractional PINN-DeepONets demonstrate that SpecMuon achieves faster convergence and improved stability compared with Adam, AdamW, and the original Muon optimizer on benchmark problems such as the one-dimensional Burgers equation and fractional partial differential equations.
Figures & tables
Figure 1: Training loss (log scale) for the linear regression problem. SpecMuon (red) is compared with Muon, Adam, and AdamW. SpecMuon achieves faster convergence by combining spectral orthogonalization with mode-wise energy regulation.
Optimizer
Hyperparameter
Values Searched
Best Value Used
Adam
Learning Rate ( lr )
{0.01, 5e-3, 1e-3, 5e-4}
5e-3
Betas ( β1,β2 )
–
(0.9, 0.999)
Weight Decay ( λ )
–
0
AdamW
Learning Rate ( lr )
{0.01, 5e-3, 1e-3, 5e-4}
5e-3
Betas ( β1,β2 )
–
(0.9, 0.999)
Weight Decay ( λ )
{0.0, 0.01, 1e-3, 5e-4, 1e-4 }
5e-4
Table 1: Hyperparameter configurations for the PINN experiment on Burgers’ equation. Learning rates were selected via grid search. Other parameters were set to standard defaults unless otherwise specified.
Figure 2: PINN training on the one-dimensional Burgers’ equation.
Optimizer
Final Training Loss
MSE
Training Time (s)
Adam
5.88±12\times10−4
1.42\times10−3
120±12
AdamW
7.46±15\times10−4
1.50\times10−3
117±11
Muon
3.39±5\times10−4
1.25\times10−3
149±15
SpecMuon
1.55±4\times10−4
5.06\times10−4
180±18
Table 2: Quantitative comparison for the Burgers’ PINN experiment. Reported metrics include final training loss, mean squared error (MSE), and total training time on an NVIDIA H100 80GB GPU. Best results are shown in bold.
Figure 3: Spatiotemporal solution u(x,t) of the Burgers’ equation obtained by PINNs trained with Adam(left), Muon(middle), and SpecMuon(right). SpecMuon produces a more accurate and smoother approximation of the reference solution.
Figure 4: Spatial distribution of the L1 error for the Burgers’ PINN trained with Adam(left), Muon(middle), and SpecMuon(right). SpecMuon exhibits reduced error magnitude.
Optimizer
Hyperparameter
Values Searched
Best Value Used
Adam
Learning Rate ( lr )
{0.01, 5e-3, 1e-3, 5e-4}
5e-3
Betas ( β1,β2 )
–
(0.9, 0.999)
Weight Decay ( λ )
–
0
AdamW
Learning Rate ( lr )
{0.01, 5e-3, 1e-3, 5e-4}
5e-3
Betas ( β1,β2 )
–
(0.9, 0.999)
Weight Decay ( λ )
{0.0, 0.01, 1e-3, 5e-4, 1e-4}
1e-2
Table 3: Hyperparameter configurations for the DeepONet experiment on Burgers’ equation. Learning rates were selected via grid search. The optimal spectral rank rtop increases compared with the PINN setting due to richer gradient structure.
Figure 5: DeepONet training on the Burgers’ equation.
Optimizer
Final Training Loss
MSE
Training Time (s)
Adam
1.89±03\times10−3
0.0014
113±12
AdamW
4.71±05\times10−3
0.0013
114±10
Muon
6.38±12\times10−4
0.0011
204±13
SpecMuon
4.82±07\times10−4
0.0010
259±10
Table 4: Quantitative comparison for the Burgers’ DeepONet experiment. Metrics include final training loss, MSE, and training time on an NVIDIA H100 80GB GPU. Best results are highlighted in bold.
Optimizer
Hyperparameter
Values Searched
Best Value Used
Adam
Learning Rate ( lr )
{0.01, 5e-3, 1e-3, 5e-4}
5e-3
Betas ( β1,β2 )
–
(0.9, 0.999)
Weight Decay ( λ )
–
0
AdamW
Learning Rate ( lr )
{0.01, 5e-3, 1e-3, 5e-4}
5e-3
Betas ( β1,β2 )
–
(0.9, 0.999)
Weight Decay ( λ )
{0.0, 0.01, 1e-3, 5e-4, 1e-4}
1e-2
Table 5: Hyperparameter configurations for the fPINN–DeepONet experiment on the two-dimensional heat equation. Learning rates were selected via grid search, and spectral rank rtop was tuned for stability and accuracy.
Figure 6: fPINN–DeepONet training on the fractional PDE problem.
Optimizer
Training Loss
MSE
Training Time (s)
Adam
3.72±04\times10−2
0.0268
19.41
AdamW
3.64±04\times10−2
0.0275
13.37
Muon
3.52±06\times10−2
0.0272
18.24
SpecMuon
2.31±05\times10−2
0.0262
30.74
Table 6: Quantitative comparison for the fPINN–DeepONet experiment. Training loss is reported at 500 epochs. Training time was measured on an NVIDIA H100 80GB GPU. Best results are highlighted in bold.
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