Scientific Machine Learning

Report on Current Developments in Scientific Machine Learning

General Direction of the Field

The field of scientific machine learning (SciML) is rapidly evolving, with a strong emphasis on integrating machine learning techniques with physical principles to solve complex problems in natural sciences. Recent developments indicate a shift towards more robust and accurate methods for identifying and inverting partial differential equations (PDEs) from sparse and noisy data. This is particularly relevant in fields like seismology, where observational data is often limited and noisy.

One of the key trends is the development of hybrid frameworks that combine traditional sparse regression methods with deep learning techniques. These frameworks aim to leverage the strengths of both approaches: sparse regression for preliminary equation identification and deep learning for refining and optimizing the results. This hybrid approach is proving to be effective in handling the variability and uncertainty inherent in real-world data, leading to more accurate and reliable models.

Another significant trend is the increasing use of physics-informed neural networks (PINNs) and neural operators (NOs). PINNs incorporate governing physical laws into the loss functions, enabling them to address both forward and inverse problems. This approach is expanding into areas such as simultaneous solutions of differential equations and regularization based on physics, broadening the scope of deep learning in natural sciences. NOs, on the other hand, are designed for operator learning, which deals with relationships between infinite-dimensional spaces. They show promise in modeling the time evolution of complex systems, especially when combined with physics-informed learning.

Uncertainty quantification is also gaining attention, with methods being developed to handle both epistemic and aleatoric uncertainties in models. This is crucial for making reliable predictions in the presence of noise and limited data.

Noteworthy Developments

  • Hybrid Framework for PDE Discovery: A novel approach combining sparse regression and recurrent convolutional neural networks (RCNNs) for robust identification of governing equations from noisy and low-resolution data.

  • Physics-Informed Neural Networks (PINNs): Expanding into simultaneous solutions of differential equations and regularization based on physics, broadening the application of deep learning in natural sciences.

  • Neural Operators (NOs): Showcasing potential in modeling time evolution of complex systems, particularly when combined with physics-informed learning.

  • Uncertainty Quantification in Kolmogorov-Arnold Networks: Introducing a method for handling both epistemic and aleatoric uncertainties, validated through closure tests and application to stochastic PDEs.

These developments highlight the innovative strides being made in SciML, pushing the boundaries of what is possible with machine learning in the context of physical sciences.

Sources

Discovery and inversion of the viscoelastic wave equation in inhomogeneous media

Scientific Machine Learning Seismology

Ensemble WSINDy for Data Driven Discovery of Governing Equations from Laser-based Full-field Measurements

The linearized monotonicity method for elastic waves and the separation of material parameters

Uncertainty Quantification with Bayesian Higher Order ReLU KANs

Statistical Taylor Expansion

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