Zhao Wei
Publications
Unsupervised Adaptation of PDE Foundation Models
Pretrained partial differential equation (PDE) foundation models can generalize across different equations, but adapting them to unseen PDE systems typically requires dense solution data, which is often expensive or unavailable. To address this limitation, we propose an unsupervised PDE-based finetuning framework that eliminates the need for ground-truth solutions. We first pretrain a neighborhood attention Transformer on diverse time-dependent PDEs spanning varying spatial scales, yielding transferable representations across heterogeneous equations. In the adaptation stage, we construct a physics-based objective using the PDE residual and boundary conditions, and finetune the model on unseen equations via low-rank adaptation (LoRA). To address the uneven learning across physical quantities in standard LoRA, we introduce NSLoRA, a Newton-Schulz orthogonalized variant that rebalances adaptation. Our method achieves performance comparable to supervised LoRA finetuning without requiring any ground-truth solutions, while consistently outperforming competitive neural operator baselines and recent PDE foundation models across heterogeneous PDE benchmarks spanning multiple spatial dimensions.
Meta-Inverse Physics-Informed Neural Networks for High-Dimensional Ordinary Differential Equations
Solving inverse problems in dynamical systems governed by high-dimensional coupled ordinary differential equations (ODEs) is a ubiquitous challenge in scientific machine learning. In many real-world applications, researchers seek to uncover unknown parameters or model unknown dynamics even as the underlying physics is only partially characterized, and observations are sparse and limited to specific measurable channels. While physics-informed neural networks (PINNs) are ideal for inverse inference under partial observability, existing PINNs typically rely on task-specific joint optimization, which suffers from optimization difficulties and poor generalization. In this paper, we propose a meta-inverse physics-informed neural network (MI-PINN) that reformulates inverse modeling as a two-stage meta-learning problem. MI-PINN first learns a physics-aware representation across multiple tasks, and then performs inverse modeling by optimizing task-specific unknowns while keeping the learned representation fixed. This two-stage formulation significantly reduces the parameter search dimension, thereby improving sample efficiency and enabling accurate inference. To handle multi-scale dynamics common in these high-dimensional ODE systems, we further introduce an adaptive clustering-based multi-branch learning scheme. We demonstrate the effectiveness of MI-PINN on whole-body physiologically based pharmacokinetic (PBPK) models with up to 33 coupled ODEs, using paracetamol and theophylline under intravenous and oral dosing scenarios. Experimental results show that MI-PINN enables accurate recovery of masked kinetic parameters and reconstruction of missing mechanistic terms despite limited clinical observations.
Out-of-Distribution Generalization for Neural Physics Solvers
Neural physics solvers are increasingly used in scientific discovery, given their potential for rapid in silico insights into physical, materials, or biological systems and their long-time evolution. However, poor generalization beyond their training support limits exploration of novel designs and long-time horizon predictions. We introduce NOVA, a route to generalizable neural physics solvers that can provide rapid, accurate solutions to scenarios even under distributional shifts in partial differential equation parameters, geometries and initial conditions. By learning physics-aligned representations from an initial sparse set of scenarios, NOVA consistently achieves 1-2 orders of magnitude lower out-of-distribution errors than data-driven baselines across complex, nonlinear problems including heat transfer, diffusion-reaction and fluid flow. We further showcase NOVA's dual impact on stabilizing long-time dynamical rollouts and improving generative design through application to the simulation of nonlinear Turing systems and fluidic chip optimization. Unlike neural physics solvers that are constrained to retrieval and/or emulation within an a priori space, NOVA enables reliable extrapolation beyond known regimes, a key capability given the need for exploration of novel hypothesis spaces in scientific discovery