Anthony Zhou

Sungwon Park, Anthony Zhou, Hongjoong Kim et al.

Neural operators have emerged as a powerful paradigm for learning discretization-invariant function-to-function mappings in scientific computing. However, many practical systems are inherently stochastic, making principled uncertainty quantification essential for reliable deployment. To address this, we introduce a simple add-on, the diffusion last layer (DLL), a lightweight probabilistic head that can be attached to arbitrary neural operator backbones to model predictive uncertainty. Motivated by the relative smoothness and low-dimensional structure often exhibited by PDE solution distributions, DLL parameterizes the conditional output distribution directly in function space through a low-rank Karhunen-Loève expansion, enabling efficient and expressive uncertainty modeling. Across stochastic PDE operator learning benchmarks, DLL improves generalization and uncertainty-aware prediction. Moreover, even in deterministic long-horizon rollout settings, DLL enhances rollout stability and provides meaningful estimates of epistemic uncertainty for backbone neural operators.

Anthony Zhou, Alexander Wikner, Amaury Lancelin et al. · cmu

Generative models have recently emerged as powerful surrogates for physical systems, demonstrating increased accuracy, stability, and/or statistical fidelity. Most approaches rely on iteratively denoising a Gaussian, a choice that may not be the most effective for autoregressive prediction tasks in PDEs and dynamical systems such as climate. In this work, we benchmark generative models across diverse physical domains and tasks, and highlight the role of stochastic interpolants. By directly learning a stochastic process between current and future states, stochastic interpolants can leverage the proximity of successive physical distributions. This allows for generative models that can use fewer sampling steps and produce more accurate predictions than models relying on transporting Gaussian noise. Our experiments suggest that generative models need to balance deterministic accuracy, spectral consistency, and probabilistic calibration, and that stochastic interpolants can potentially fulfill these requirements by adjusting their sampling. This study establishes stochastic interpolants as a competitive baseline for physical emulation and gives insight into the abilities of different generative modeling frameworks.

Anthony Zhou, Amir Barati Farimani · cmu

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.