Emergent Mind

Benign overfitting in Fixed Dimension via Physics-Informed Learning with Smooth Inductive Bias

(2406.09194)
Published Jun 13, 2024 in stat.ML , cs.IT , cs.LG , cs.NA , math.IT , math.NA , math.ST , and stat.TH

Abstract

Recent advances in machine learning have inspired a surge of research into reconstructing specific quantities of interest from measurements that comply with certain physical laws. These efforts focus on inverse problems that are governed by partial differential equations (PDEs). In this work, we develop an asymptotic Sobolev norm learning curve for kernel ridge(less) regression when addressing (elliptical) linear inverse problems. Our results show that the PDE operators in the inverse problem can stabilize the variance and even behave benign overfitting for fixed-dimensional problems, exhibiting different behaviors from regression problems. Besides, our investigation also demonstrates the impact of various inductive biases introduced by minimizing different Sobolev norms as a form of implicit regularization. For the regularized least squares estimator, we find that all considered inductive biases can achieve the optimal convergence rate, provided the regularization parameter is appropriately chosen. The convergence rate is actually independent to the choice of (smooth enough) inductive bias for both ridge and ridgeless regression. Surprisingly, our smoothness requirement recovered the condition found in Bayesian setting and extend the conclusion to the minimum norm interpolation estimators.

Overview

  • The paper theorizes that kernel ridge and ridgeless regression can achieve benign overfitting for fixed-dimensional problems governed by elliptic partial differential equations (PDEs).

  • It introduces the concept of smooth inductive bias, demonstrating that the convergence rates for ridge and ridgeless regression become independent of the specific smoothness of the inductive bias when regularization parameters are properly chosen.

  • The research establishes an upper bound for the excess risk in ridgeless regression through the eigenspectrum of spectrally transformed kernel matrices, highlighting self-regularization in high-dimensional components.

Analysis of "Benign Overfitting in Fixed Dimension via Physics-Informed Learning with Smooth Inductive Bias"

The paper "Benign Overfitting in Fixed Dimension via Physics-Informed Learning with Smooth Inductive Bias" authored by Honam Wong, Wendao Wu, Fanghui Liu, and Yiping Lu, explores the theoretical behavior of kernel ridge regression and ridgeless regression for solving linear inverse problems governed by elliptic partial differential equations (PDEs). The central premise is that PDE operators provide a stabilizing mechanism, potentially leading to benign overfitting even in fixed-dimensional spaces, contrasting with typical regression settings.

Summary of Contributions and Key Results

  1. Theoretical Analysis of Kernel Ridge and Ridgeless Regression:

    • The paper focuses on interpolated machine learning and demonstrates that, under certain conditions, interpolated models can achieve benign overfitting for fixed-dimensional problems governed by PDEs.
    • The authors present an asymptotic Sobolev norm learning curve for kernel ridge regression addressing linear inverse problems with elliptic PDEs.
    • Key theoretical results indicate that the variance induced by PDE operators can lead to stabilized estimators resulting in benign overfitting. This counteracts the general conclusion that interpolation with noise leads to inconsistency.
  2. Smooth Inductive Bias and Convergence:

    • The paper introduces various inductive biases by considering different Sobolev norms. Importantly, it finds that even when regularization parameters are varied, the convergence rates of ridge and ridgeless regression become independent of the specific (but sufficiently smooth) inductive bias.
    • For regularized least squares estimators, the authors demonstrate that all considered inductive biases can achieve optimal convergence rates when the regularization parameter is appropriately chosen. The smoothness requirement aligns with conditions previously identified in the Bayesian setting, extending these conclusions to minimum norm interpolation estimators.
  3. Eigenspectrum of Transformed Kernel:

    • A rigorous upper bound of the excess risk for ridgeless regression in the context of linear inverse problems is derived. Central to this analysis is the eigenspectrum of spectrally transformed kernel matrices, ensuring that high-dimensional components act as self-regularization.

Theoretical Implications

The implications of this research are manifold:

  • Stabilization through PDEs: Introducing operators from PDEs transforms the covariance in a manner that mitigates the variance even as dimensions increase, thus achieving benign overfitting. This is a noteworthy deviation from classical regression theory which generally views interpolation unfavorably when dealing with noisy data.
  • Inductive Bias and Smoothness: The selection of an appropriate inductive bias, particularly one that emphasizes smoothness (measured by Sobolev norms), is crucial. This convergence and its independence of specific smooth inductive biases provide a broader functional framework for applying kernel methods to inverse problems.
  • Unified Theoretical Framework: By bridging theories from machine learning and the Bayesian analysis of inverse problems, the paper lays a foundation for understanding the role of over-parameterization and interpolation in higher-order PDE contexts.

Practical Implications and Future Directions

From an application standpoint, the insights could enhance techniques in fields like medical image reconstruction, inverse scattering, and 3D reconstruction, where inverse problems are paramount. Specifically:

  • Sobolev Training: This paper suggests that incorporating smoother activation functions in neural networks could optimize generalization error and variance stabilization in physics-informed machine learning, particularly when handling complex PDEs.
  • Higher-Order PDEs: The methodological emphasis on smooth induction biases is critical for higher-order PDEs due to increased stabilization effects. This priority points towards tailored training regimes and model architectures for such scenarios.

Conclusion

In conclusion, Wong et al. offer significant theoretical advancements by showcasing how physics-informed learning models, particularly when addressing elliptic PDEs, achieve benign overfitting even within fixed-dimensional settings. The elucidation of inductive biases through Sobolev norms and the exploration of convergence rates under various regularization paradigms provide valuable contributions to the intersection of machine learning and applied mathematical physics. Future work could explore empirical validations and extensions to broader classes of inverse problems and PDEs to consolidate these theoretical foundations.

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