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Anthony Zhou

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3 papers

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NeurIPS Conference 2025 Conference Paper

Hamiltonian Neural PDE Solvers through Functional Approximation

Anthony Zhou
Amir Barati Farimani

Designing neural networks within a Hamiltonian framework offers a principled way to ensure that conservation laws are respected in physical systems. While promising, these capabilities have been largely limited to discrete, analytically solvable systems. In contrast, many physical phenomena are governed by PDEs, which govern infinite-dimensional fields through Hamiltonian functionals and their functional derivatives. Building on prior work, we represent the Hamiltonian functional as a kernel integral parameterized by a neural field, enabling learnable function-to-scalar mappings and the use of automatic differentiation to calculate functional derivatives. This allows for an extension of Hamiltonian mechanics to neural PDE solvers by predicting a functional and learning in the gradient domain. We show that the resulting Hamiltonian Neural Solver (HNS) can be an effective surrogate model through improved stability and conserving energy-like quantities across 1D and 2D PDEs. This ability to respect conservation laws also allows HNS models to better generalize to longer time horizons or unseen initial conditions.

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TMLR Journal 2024 Journal Article

Masked Autoencoders are PDE Learners

Anthony Zhou
Amir Barati Farimani

Neural solvers for partial differential equations (PDEs) have great potential to generate fast and accurate physics solutions, yet their practicality is currently limited by their generalizability. PDEs evolve over broad scales and exhibit diverse behaviors; predicting these phenomena will require learning representations across a wide variety of inputs which may encompass different coefficients, boundary conditions, resolutions, or even equations. As a step towards generalizable PDE modeling, we adapt masked pretraining for physics problems. Through self-supervised learning across PDEs, masked autoencoders can consolidate heterogeneous physics to learn rich latent representations. We show that learned representations can generalize to a limited set of unseen equations or parameters and are meaningful enough to regress PDE coefficients or the classify PDE features. Furthermore, conditioning neural solvers on learned latent representations can improve time-stepping and super-resolution performance across a variety of coefficients, discretizations, or boundary conditions, as well as on certain unseen PDEs. We hope that masked pretraining can emerge as a unifying method across large, unlabeled, and heterogeneous datasets to learn latent physics at scale.

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TMLR Journal 2024 Journal Article

Strategies for Pretraining Neural Operators

Anthony Zhou
Cooper Lorsung
AmirPouya Hemmasian
Amir Barati Farimani

Pretraining for partial differential equation (PDE) modeling has recently shown promise in scaling neural operators across datasets to improve generalizability and performance. Despite these advances, our understanding of how pretraining affects neural operators is still limited; studies generally propose tailored architectures and datasets that make it challenging to compare or examine different pretraining frameworks. To address this, we compare various pretraining methods without optimizing architecture choices to characterize pretraining dynamics on different models and datasets as well as to understand its scaling and generalization behavior. We find that pretraining is highly dependent on model and dataset choices, but in general transfer learning or physics-based pretraining strategies work best. In addition, pretraining performance can be further improved by using data augmentations. Lastly, pretraining can be additionally beneficial when fine-tuning in scarce data regimes or when generalizing to downstream data similar to the pretraining distribution. Through providing insights into pretraining neural operators for physics prediction, we hope to motivate future work in developing and evaluating pretraining methods for PDEs.

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