PDE Surrogate Modeling

Assessing useful reuse in neural PDE solvers is challenging: final accuracy can reflect source learning and target-time computation. Our reuse contract separates solution accuracy, learning contribution, and numerical utility through paired state comparisons, matched target information and budgets, and cost accounting. A literature audit extracts 18 version-specific protocol records from 12 papers, documenting retained states, target-time resources, and reported controls. For a fixed linear system and residual tolerance, we construct two initial guesses with identical solution-error, energy-error, and residual norms, reaching the same solution with different conjugate-gradient (CG) iteration counts. Across 240 source-training trajectories, two linear PDE families, Fourier neural operators and convolutional networks, a fixed predictor's benefit reverses across correction algorithms. Among pairs with both relative prediction errors less than or equal to 5 percent on 64 in-distribution tasks (63 by 63 interior grids), reductions in all three norms accompany more CG iterations, at mean taskwise rates of 23.5 percent and 23.9 percent in two libraries. Work-based selection saves 2.50-3.33 CG iterations on held-out in-distribution tasks; matched adaptation demonstrates finite-budget pretraining value. Independent batches confirm a 0.73 percent complete online saving for one physics-trained Fourier neural operator against zero-initialized Poisson-preconditioned CG. Reuse requires matched state comparisons and downstream computational evidence.

Rapid and accurate prediction of urban wind and temperature fields is important for urban microclimate design and climate adaptation. Large-eddy simulation (LES) effectively resolves these instantaneous fields, but its application is limited in iterative design of urban microclimate applications due to high computational cost. Existing regressive data-driven models offers quick outputs, but they produce only deterministic point predictions that inherently fail to represent turbulent stochasticity. This paper adopts a novel generative framework of Conditional Flow Matching (CFM) that uses building geometry and mean flow as guidance to generate plausible three-dimensional instantaneous velocity and temperature fields for urban microclimate in seconds. To overcome the GPU memory bottleneck of pixel space 3D generation, the model operates in parallel on overlapping pixel space through a shared-noise initialization that preserves high spatial continuity of flow structure across the entire domain. Against reference LES data, the CFM surrogate can rapidly and accurately restore the first-order statistics with Normalized Root Mean Square Error (NRMSE) of 2.99% for wind and 1.77% for temperature, second-order turbulence metrics with NRMSE of 7.17% for wind and 8.84% for temperature, turbulent kinetic energy with NRMSE of 7%, probability density function and vertical profiles in representative locations. Wind engineering application of local gust prediction demonstrate that the speed and accuracy of CFM, supporting the use of generative AI for making turbulence-aware resilient urban design and climate adaptation more computationally feasible.

Neural surrogates for computational fluid dynamics (CFD) have the potential to greatly enhance engineering innovation through accelerating simulation. However, the primary limitation for neural surrogates is the lack of generalization to geometries and applications beyond the training set, which is significant given the diversity of engineering scenarios. Currently, this is addressed by generating a new dataset for a specific application; however, this requires running costly numerical solvers. In this work, we take a step toward addressing this by studying neural surrogates trained across different geometries, boundary conditions, and fidelities. We find that cross-domain pretraining improves zero- and few-shot performance on held-out datasets relative to both training from scratch and transferring from domain-specific experts. In particular, finetuning a pretrained, cross-domain model can achieve 2-3x lower errors at the same sample size and use 8x fewer samples to achieve the same error, compared to training from scratch. This benefit is architecture agnostic and improves with model size and pretraining dataset diversity. Furthermore, we study how and why cross-domain pretraining works in CFD surrogates, and find that simply pooling steady-state datasets is both sufficient and effective. Given the high cost of generating CFD data, leveraging existing datasets through cross-domain pretraining will likely be a valuable strategy as future surrogates expand to tackle new problems and use cases.

Neural PDE surrogates are trained on numerical solver outputs that contain both physical evolution and solver-specific discretization errors. Because surrogates are also evaluated against held-out trajectories from the same solver, standard benchmarks cannot distinguish fidelity to the exact evolution from imitation of the numerical scheme. We introduce an empirical Fourier-symbol diagnostic that probes a trained surrogate's linearized one-step operator with individual Fourier modes and compares it with both exact-evolution and training-scheme references. To address architectural spectral bias, we train identical networks on schemes with orthogonal dissipative and dispersive signatures and compare their learned operators. In linear advection, the learned surrogates reproduce the training schemes' amplitude and phase errors, with the twin-scheme difference reaching more than 99.8% of the analytically predicted full-imitation ceiling. The same behavior occurs for a non-local Fourier neural operator and at the operator level for nonlinear Burgers dynamics. These results show that agreement with solver-generated test data does not by itself establish fidelity to the exact evolution. Fourier-symbol measurements provide a direct diagnostic of numerical provenance.

Accurate thermal modeling is essential in metal additive manufacturing (AM) for understanding the process-structure-property chain. Physics-informed neural networks (PINNs) offer effective surrogate thermal modeling by minimizing physics-based residual losses at collocation points. However, prior works typically rely on manually-crafted, static collocation sampling strategies, which are neither principled nor scalable across process conditions, hindering their generalization capability. In this work, we provide theoretical analysis through empirical risk minimization, showing that process condition-aware adaptive sampling is strictly more favorable than conventional static sampling for generalization. Building on this insight, we propose an adaptive sampling strategy within a two-stage framework: (1) a conditional Flow Matching model that learns approximate high-residual distributions across different process conditions, and (2) a mixed sampling strategy combining this distribution with a domain-informed base distribution to generate adaptive collocation points for refining the PINN predictor. Experiments on metal AM numerical benchmarks demonstrate that our method consistently outperforms state-of-the-art PINN baselines, achieving an average 62.1% reduction in relative $L_2$ error under an identical collocation budget, by capturing process-dependent heat dissipation regions often overlooked in the literature. To the authors' knowledge, this is the first adaptive sampling strategy for PINNs in metal AM, contributing to the enhanced generalization and broader applicability.

In many-query scenarios, data-driven surrogate models provide an efficient alternative to high-fidelity solvers for simulating physical systems governed by Partial Differential Equations (PDEs). In this context, the Latent Dynamics Network (LDNet) has recently demonstrated remarkable performance in predicting the response of spatio-temporal systems, combining Neural Ordinary Differential Equations with nonlinear dimensionality reduction. However, the original formulation assumes a fixed initial condition, limiting its applicability to many real-world applications where a system evolves from varying starting states. In this work, we overcome this limitation while keeping the end-to-end training procedure of the original LDNet and its encoder-free nature, which preserves its intrinsic independence from spatial resolution and grid topology. We infer the initial latent state directly from a small set of early-time observations, treating latent-state initialization as an adaptation problem, and investigate two strategies: an auto-decoding formulation and a meta-learning approach in which the initial latent state acts as a task-specific context variable. We demonstrate the accuracy of the proposed methods across diverse physical phenomena, spanning advection-diffusion, fluid dynamics, and solid mechanics. Meta-learning markedly accelerates latent-state inference and induces smoother, better-conditioned optimization landscapes, and spontaneously organizes the latent space into a structured representation that reflects physically meaningful features of the underlying dynamics. The coordinate-based decoder enables training from spatially subsampled data while recovering high-resolution solution fields at inference. The resulting approach provides an efficient and resolution-independent surrogate modeling framework for many-query simulations of time-dependent PDEs with varying initial conditions.

We identify a mismatch between the physical role of transport fields in many PDEs and their usual role in neural operators: PDEs use them to select read coordinates, whereas neural operators typically treat them only as input values. We address this mismatch with the Green-Routed Neural Operator (GRNO), which uses the governing equation to determine where latent features are sampled. A parameter-free equation adapter evaluates the diagnostic relation and constructs a departure map whose values are the read coordinates. A multiscale encoder-decoder combines centered and routed reads of latent features to learn the complete finite-time update. Across five two- and three-dimensional PDE systems, GRNO achieves the lowest mean final relative $L^2$ error on four under 40-step autoregressive evaluation and remains competitive on Keller-Segel. Fixed-weight route interventions reveal strong dependence on direction and spatial alignment in four systems, with weak dependence in Keller-Segel. In independently trained ablations, GRNO achieves lower mean errors than variants that supply the transport field only as an input feature, substitute a learned displacement for the equation-specified route, or apply the route with a spatial misalignment, across all five systems. It also substantially outperforms directly advecting the physical state and learning the remaining update, indicating that equation-specified read coordinates provide an effective structural prior for long-horizon PDE forecasting.

Physics-informed neural network (PINN) training minimizes a weighted combination of partial differential equation (PDE), boundary-condition, and initial-condition losses. Because adaptive methods modify these weights during training, their weighted total losses are not always directly comparable. We compare fixed-weight PINN, gradient-normalized PINN (GNPINN), and a rule-based adaptive controller (AgenticPINN) under matched settings on a heat-equation benchmark and a simplified Czochralski-oriented thermal-fluid problem. In the crystal-growth MLP experiment, adaptive control reduced the PDE residual from the order of $10^{-5}$ to $10^{-6}$, while the boundary-condition loss increased from the order of $10^{-5}$ to $10^{-2}$. On the heat-equation benchmark, GNPINN achieved the lowest relative $L_2$ field error (0.054), whereas AgenticPINN obtained the smallest PDE residual but a relative $L_2$ error of 1.368. Gaussian-process surrogates were additionally evaluated using case-wise holdout tests on corrected Czochralski CFD parameter sweeps. The temperature-field error for the temperature sweep was approximately 6%, whereas the axial-velocity error for the crystal-rotation sweep was approximately 42%. These findings show that adaptive control can improve equation satisfaction while weakening other physical constraints. PINN training should therefore be evaluated using separate PDE, boundary-condition, and solution-error metrics rather than weighted total loss alone.

Neural surrogate models for Partial Differential Equations (PDEs) on unstructured 3D geometries are often limited by poor generalization and the high cost of generating large-scale training datasets. Consequently, pre-training on massive datasets of related PDE dynamics has emerged as a critical alternative to enhance the robustness and scalability of these models. However, this strategy is neither compute- nor data-efficient, as it relies on massive pre-computed data that is very costly to generate. In this work, we introduce a disk-data-free pre-training framework tailored to both steady-state and transient regimes. For steady-state problems, we propose a geometry-driven strategy that leverages intrinsic shape descriptors to learn representations of complex 3D domains. For transient problems, we introduce a physics-driven approach based on online generation of synthetic PDE data, enabling scalable pre-training without reliance on expensive datasets. Across multiple experiments, our approach achieves faster convergence, greater data efficiency, and higher accuracy during fine-tuning, particularly under realistic low-data regimes. This methodology provides a practical pathway toward data-efficient neural emulators for large-scale simulations.

Simulation and experimental measurements provide complementary data for learning spatiotemporal physical systems, but standard simulation-to-experiment fine-tuning optimizes only the experimental objective after transfer and can degrade simulation performance. We formulate simulation--experiment prediction as a multi-objective learning problem with domain-specific simulation and experimental risks. On four fluid systems from RealPDEBench and two model capacities, we compare Simulation only, Experiment only, Sim$\rightarrow$Exp, and Joint training, evaluating every final model on both held-out domains. Sim$\rightarrow$Exp tends to specialize more strongly to experimental data at the cost of simulation-domain forgetting. Joint training consistently achieves the best balanced performance over a broad range of simulation--experiment evaluation weightings, while substantially improving simulation retention over Sim$\rightarrow$Exp. Joint also better preserves simulation-only fields absent from experimental measurements. Project page: https://mahindrautela.github.io/morph.

Many physical systems are driven and observed only on lower-dimensional submanifolds of a larger spatial domain, while their dynamics are governed by the ambient medium occupying that domain. Examples include laser-heated parts imaged by an infrared camera, and ground-level emissions measured on a sensor plane. Full-domain solvers, however, compute the entire volume for every new source although only the observation submanifold is needed, and black-box surrogates do not exploit that the ambient medium remains fixed. We introduce the \emph{Green's Observation Operator (GObO)}, which maps the ambient medium once to the Green's kernel of a linear PDE restricted to the source and observation submanifolds. New sources then cost one lower-dimensional integral and no network evaluation. Exponential rates in the kernel yield an exact finite streaming state with horizon-independent memory; we prove its stability and an approximation rate for the restricted heat kernel. On three-dimensional heat conduction and advection--diffusion with collocated and distinct source and observation geometries, GObO trained on static sources predicts responses to moving sources zero-shot with 4--8$\times$ lower error than black-box surrogates, at 1.4,ms per query after a single conditioning pass. The same kernel transfers across resolutions and admits corrections for mild nonlinearities, including radiative losses and temperature-dependent conductivity, without retraining, at the cost of lower in-distribution accuracy.

Neural surrogates have emerged as fast alternatives to the numerical simulation of three-dimensional turbulence. However, training them at high resolution remains challenging, since the memory of full-field models grows with the resolution. In addition, full-resolution training data are expensive to simulate and store, and therefore scarce. We introduce ScaleSplit-NO (Scale-Split Neural Operator), which exploits the scale structure of turbulence with two neural operators: a Parent predicts the global coarse field at the next time step, and a Child predicts full-resolution local patches conditioned on this prediction. Neither model operates on the full-resolution field. The Child is pretrained alone and then attached to the Parent's coarse prediction through zero-initialized connections. On two complex high-resolution turbulence benchmarks, ScaleSplit-NO surpasses all competing baselines in both prediction accuracy and data efficiency. On the higher-resolution dataset JHTDB256 ($256^3$), its normalized mean squared error (NMSE) is 53% lower than that of the strongest baseline, and its training memory is 79% lower than that of the most memory-efficient baseline. We further demonstrate its effectiveness for urban wind prediction in a real district of Montreal on a $500\times150\times500$ grid, reducing one-step NMSE by 65.8% relative to the baseline. Moreover, swapping in a Parent trained on additional coarse fields improves prediction without retraining the Child, providing further accuracy gains at a small storage cost.

Any-dimensional machine learning models, such as graph neural networks (GNNs), can be naturally trained and evaluated on inputs of different sizes and dimensions. Inspired by the GNN transferability literature, we show mathematical conditions under which a partial differential equation (PDE) learning-based solver can be trained in small dimensions and directly applied to solve a higher dimensional PDE in a zero-shot fashion. These conditions are based on symmetries in both the partial differential equation and the initial data. When the equations satisfy the symmetries but the data does not, which is the case for many PDEs arising from physics, we show that our theory gives a principled way of warm-starting low-dimensional PDE solvers for higher dimensional PDEs. We apply this method on the heat equation, Burgers' equation, and the compressible Navier--Stokes equations, improving the performance in both zero-shot and typical training regimes on high dimensional data. For example, we train a surrogate model on 2D Navier--Stokes data and achieve better results on 3D test data than a baseline surrogate model trained on 3D data, while only using 12$\%$ of the flops and 20$\%$ of the total data size.

Lower error from a text-conditioned neural surrogate does not, by itself, show that the model uses the meaning of the text. We examine this attribution problem with OperatorCLIP, comparing an unconditioned FNO, a constant-sentence FiLM control, and a fixed task description trained with contrastive alignment. Three-seed experiments cover Darcy2D, ShallowWater2D, and three-dimensional compressible Navier-Stokes (CNS3D). Constant conditioning has lower mean test error on both 2D tasks. Relative to this control, task text plus alignment has a similar mean on ShallowWater2D and CNS3D and a higher mean on Darcy2D; these descriptive comparisons have substantial seed uncertainty. The latter comparison changes both prompt content and loss, so it isolates neither effect. The text encoder is trained from scratch, and each conditioned model sees only one description during training. In this regime, pairwise InfoNCE cannot identify matched pairs and has minimum $\log B$. Prompt interventions show no reliable semantic ordering. This methodological caution demonstrates why pathway controls are needed; it neither establishes semantic competence of the encoder nor tests the effectiveness of text under varying physical context.

Machine learning surrogate models offer a promising path toward accelerating plasma turbulence simulations. We present PreVAE-Turb, a surrogate modeling framework that leverages pre-trained variational autoencoders (VAEs) from the Stable Diffusion image generation model for efficient spatial compression of turbulence fields. The pre-trained VAE is fine-tuned on turbulence data using a physics-informed loss function that includes a spectral loss operating in Fourier space to enforce spectral accuracy across scales. The VAE is combined with convolutional long short-term memory (ConvLSTM) networks to learn temporal dynamics in latent space, with a manifold consistency error metric that monitors encode--decode consistency during autoregressive rollouts. We validate the framework on two-dimensional Hasegawa-Wakatani drift-wave turbulence and extend it to gyrokinetic turbulence from the GENE code, where a four-channel adaptation simultaneously predicts electrostatic potential, density, and parallel/perpendicular temperature fluctuations without requiring architecture redesign. Once trained, inference generates thousands of time steps in seconds on a single GPU, providing substantial computational acceleration compared to direct numerical simulation. The pre-trained approach offers a transferable methodology broadly applicable to various turbulence simulation codes.

Neural solvers offer efficient surrogates for numerical simulation of partial differential equations (PDEs). For time-dependent problems, strong one-step accuracy does not necessarily translate into reliable autoregressive rollout. We observe that a solver based only on physical-state modeling can achieve lower one-step error, whereas its spectral-only counterpart can become more accurate at later rollout steps. Motivated by this observation, we present Transolver-$σ$, a neural PDE solver based on joint spectral--physical subspace modeling. Within each block, adaptive physical-state interactions and spectral transformations are modeled in dedicated latent subspaces, whose responses are recomposed to enable information exchange between the two representations. Within the physical subspace, we introduce Slice-Residual Physics-Attention (SRPA), which preserves an explicit slice-space identity path while retaining learnable cross-slice interaction. In parallel, an axis-factorized Fourier operator captures global spectral structure. Across five well-established PDE benchmarks spanning steady-state prediction and time-dependent dynamics, Transolver-$σ$ achieves state-of-the-art with a benchmark-averaged relative error reduction of 33.4% over the strongest baseline for each metric, while consistently improving autoregressive rollout over single-operator counterparts. Transolver-$σ$ further delivers strong gains on coupled multiphysics systems and real-world fluid and combustion measurements from RealPDEBench, demonstrating its effectiveness beyond standard simulation benchmarks.

Modern engineering systems, from automobiles to aircraft, are designed by using precise, continuous parametric computer-aided design (CAD) models. Evaluating design changes through numerical simulation requires meshing the continuous geometry, a computationally expensive and often brittle process that can require manual intervention and replaces the continuous representation with a discrete approximation. Most neural surrogates accelerate the simulation, but inherit this representation gap by relying on meshes, point clouds, voxels, or other sampled approximations of geometry. We introduce CANTO, a transformer neural operator that maps directly from continuous CAD geometry to physical fields, without meshing the input geometry. We develop a theoretical framework for learning operators from geometric manifolds to function spaces of physical fields, representing geometry through sequences of parametric patches. CANTO instantiates this framework by directly tokenizing non-uniform rational B-spline (NURBS) patches from their control points, knot vectors, and weights, and predicts continuous surface and volume fields at arbitrary query locations. We evaluate CANTO on four automotive and aircraft aerodynamics industry benchmarks: AhmedML, WindsorML, DrivAerML, and HiLiftAeroML. CANTO achieves state-of-the-art accuracy on most evaluated surface and volume prediction tasks, including a 19.8% reduction in surface-pressure relative $L_2$ error compared with AB-UPT on HiLiftAeroML. Differentiability with respect to CAD parameters further enables gradient-based inverse design of designs. On AhmedML, CANTO identifies designs with 4.4 to 20.4% lower drag than the best dataset designs satisfying the same volume and lift constraints, with the improvements verified using the same CFD setup used to generate the original dataset.

Recovering complete physical fields from sparse observations is challenging because the measurements may not uniquely determine the underlying state. Diffusion-based PDE solvers address this problem through iterative sampling whereas neural operators provide deterministic one-pass predictions. We propose SCOPE (Sparse-Context Observability-aware Predictive Embeddings) to recover complete PDE fields from sparse observations by coupling full-field latent prediction with physical reconstruction. A shared decoder reconstructs fields from both predicted and complete-view representations so that representation learning is guided by both physical recovery and latent matching. We derive a quadratic risk decomposition at fixed teacher-decoder pairs showing why optimal latent prediction need not yield optimal field reconstruction. We also establish sufficient conditions for decoder improvements on complete inputs to transfer to recovery from partial observations. Experiments across five PDE settings show that SCOPE outperforms mask-aware neural operators on all ten forward and inverse tasks and achieves lower errors than those reported for diffusion-based solvers including DiffusionPDE and FunDPS. Decoder-only adaptation further improves recovery without retraining the backbone while retaining deterministic single-pass inference.

Physical-field reconstruction and forecasting depend on both measurement density and spatial layout, yet evaluation under a single observation pattern does not characterize performance when that pattern changes. We introduce PDE-OBS, an integrated benchmarking platform spanning numerical data generation, model training, and inference and evaluation under varying observation conditions. It combines 560,000 fields and trajectories from seven partial differential equation families with configurable observation operators and seven adapted baseline methods for stationary reconstruction and short-horizon forecasting. Separating observation construction from physical records allows users to specify parameterized patterns and deterministic mixtures for training and testing while preserving prediction targets and data splits. The evaluation protocol uses references trained for each test pattern to compare models on identical test observations and targets, alongside equal-count groups for spatial-layout comparisons. On a 14,000-record subset, we evaluate 441 trained models under nine test patterns, yielding 3,969 evaluations. Mean cross-pattern error exceeds mean matched-pattern error in all 49 PDE-method pairs, and this finding persists in a configuration-matched subset of 117 models. Denser test observations do not consistently reduce error for a fixed model. Mixed-pattern training on five completed pairs reduces large single-pattern transfer errors, although destination-trained references usually remain more accurate. Together, the benchmark and findings support systematic evaluation of observation-pattern sensitivity and provide a reusable workflow for developing methods under changing measurement conditions. Code: https://github.com/ru1ch3n/PDE-OBS.

Physical trajectories contain more than snapshots of a system: they also reveal how its states evolve under governing conditions. However, representation learning for parametric partial differential equations (PDEs) has largely relied on reconstruction-based objectives that emphasize recovering observed physical fields. In this paper, we investigate predictive representation pretraining as an alternative to reconstruction-based learning. We find that predictive representations preserve rich physical information, yet this advantage alone does not ensure accurate field evolution. Based on these observations, we introduce PDE-JEPA for parametric PDE dynamics. Specifically, we first train an encoder using a masked-latent prediction to capture the underlying regularities of PDE dynamics. To explicitly adapt the pretrained representation toward a more dynamics-aligned state space, we then introduce a geometry projector that aligns latent trajectory geometry with the evolution geometry of physical fields. Finally, building on this geometry-aligned latent space, we further develop a physics-structured latent predictor that decomposes the dynamics into parameter-independent evolution and parameter-dependent response components. Extensive experiments on nine widely used PDE benchmarks demonstrate that our framework outperforms existing state-of-the-art methods by an average of 33.4% in-distribution, while achieving an average improvement of 51.4% when extrapolating to unseen governing parameters. The project page is available here.

Autoregressive neural emulators can drift or diverge over long rollouts despite accurate short-term predictions. We introduce Cascaded Emulation (CasEm), a one-way rollout architecture that augments an existing full-state backbone with an independently evolving model of physically specified aggregates. Its forecasts guide corrections to full-state predictions, without feedback from the backbone to the aggregate model. Effective guidance requires aggregates that cover substantial backbone error, remain accurately predictable, and support useful full-state corrections. We derive a finite-horizon error bound that clarifies these three factors and use empirical diagnostics to guide subsystem selection. Across four ODE/PDE benchmarks, CasEm reduces long-horizon rollout errors across diverse backbones and suppresses the trend toward error divergence in both diffusion tasks using Fourier neural operator backbones. In global climate emulation, CasEm with a regional total-water subsystem reduces 10-year full-state time-mean error by 66.6% and 46.3% for frozen ACE and Spherical DYffusion backbones, respectively, while adding less than 3% to inference time.

Neural PDE surrogates increasingly incorporate structural priors, yet it is often unclear whether their gains arise from physics-specific information or simply from regularization and training choices. We evaluate several such priors under a common protocol against a matched from-scratch neural operator baseline. Our central result is that a known-equation residual consistently outperforms the best generic regularizer at equal tuning budget. At fixed capacity this benefit appears across linear and nonlinear PDEs, but a capacity sweep reveals a sharp distinction: the advantage persists and grows for Burgers, KdV, and Allen-Cahn, while collapsing toward or below parity for linear heat and advection-diffusion. Thus, the durable value of the residual is specific to nonlinear operators. We further falsify a pre-registered hypothesis that the benefit is activated only by data sparsity: the residual remains advantageous even under full supervision. Its usefulness does, however, have a clear boundary. Under grid under-resolution, nonlinear coarse fields no longer satisfy the naive governing-equation residual, and enforcing it becomes actively harmful. In contrast, cross-family pretraining and in-context conditioning fail to outperform the strong from-scratch baseline in the regime studied. Together, these results identify when known physics provides non-redundant information to neural PDE models, when it does not, and when enforcing it introduces bias.

Automatic differentiation (AD) lets neural networks compute derivatives of governing equations to machine precision, and this precision has made it the computational backbone of physics-informed machine learning. Yet exactness in the mathematical sense is not the same as fidelity to the physics. Here I argue that a derivative can be numerically perfect and still be the wrong derivative for the problem at hand, because AD, by construction, has no notion of the physical structure a solution must obey. Convection and its associated directionality, diffusion, and dispersion are only the most visible instances of a much longer list that spans all branches of computational science and engineering, including conservation, thermodynamic consistency, symmetry, symplectic structure, positivity, monotonicity, and boundedness. Recognizing this broader gap reframes how the field should build the next generation of PDE-driven neural surrogates.

Learning surrogates for time-dependent partial differential equations often requires a new simulation corpus when the governing operator changes. We introduce RD-JEPA, a joint-embedding predictive architecture for self-supervised pretraining on reaction-diffusion trajectories. A single model is pretrained on five parameterized systems and then adapted to three held-out systems whose reaction operators and trajectories are excluded from pretraining. Using one, five, or ten complete trajectories from a held-out system, RD-JEPA achieves lower mean relative discrete $\ell^2$ field error and mean absolute spatial first-difference error than five supervised surrogate baselines, an independently trained control that removes the trajectory-dependent predictive latent pathway, and an architecture-matched model trained from scratch. Within the evaluated equations, output resolution, forecast horizons, and choices of adaptation trajectories, the results indicate that prediction of future-state representations can support data-efficient adaptation across related reaction-diffusion systems.

While deep learning accelerates expensive partial differential equation solving in computational fluid dynamics (CFD), existing methods like PINNs and FNOs often struggle with generalization, noise robustness, and physical consistency. We introduce the Transformer-Mamba for Flow Field (TM4FF) framework, a physics-constrained operator learning model with three key innovations: a Residual Wavelet Mamba (RWM) layer for feature denoising, a Transformer-based attention mechanism for enhanced feature fusion, and a physics-informed loss using Fourier derivatives to enforce the Navier-Stokes equations. Experiments on four CFD datasets show TM4FF achieves high accuracy and robust generalization across varying flow conditions.

We propose the Memory-Efficient Neural Operator (MENO) as a high-performance PDE neural solver based on the Manifold Function Encoder (MFE). MENO features three primary advantages: (1) MENO has a significantly smaller memory footprint and much faster training speed than other popular architectures, with the memory footprint being independent of the data resolution, and therefore holds the potential for scaling up to large-scale models. (2) MENO can accept PDE inputs of arbitrary form, including arbitrary geometric domains and arbitrary discretizations. In particular, it is capable of handling cross-geometry scenarios, i.e., where the input functions and the output solutions are defined on different manifolds. (3) MENO exhibits strong generalization capability, and achieves the best accuracy on most of the benchmarks we tested, compared with the results reported in the literature. The code is available on GitHub at https://github.com/jpzxshi/MENO, and all numerical examples in this paper can be run with a single command to reproduce the reported results.

Neural operators evaluate parametric partial differential equations cheaply but degrade sharply outside their training distribution. Physics-informed neural networks avoid dependence on labeled data, yet their optimization can be basin-fragile: when the governing residual admits multiple solutions, a PINN trained from scratch may converge to a physically incorrect state despite achieving a small residual. We show that these failure modes can be addressed jointly: an imperfect NO provides the structural prior needed to place a PINN in the correct solution basin, while the PDE residual refines the solution beyond the operator's accuracy. We introduce a three-stage framework that freezes the spatial basis of a physics-informed NO, extrapolates its solution branch to an out-of-distribution parameter using a polynomial continuation prior, and distills the resulting field into a fresh PINN. The NO need not be accurate at the target; it transfers solution-branch information, while PDE residual minimization in the PINN governs convergence. We evaluate the framework on three nonlinear PDEs: 1D viscous Burgers, 2D steady Allen-Cahn near a pitchfork bifurcation, and 2D steady lid-driven cavity flow. For Allen-Cahn, where the trivial solution satisfies the PDE residual exactly, a standard PINN collapses to the trivial zero branch, whereas distillation from the crude extrapolated operator recovers the non-trivial branch that matches the finite-difference reference. For the lid-driven cavity, extrapolating to a Reynolds number of Re = 3200 accelerates convergence to the correct physical state, achieving competitive accuracy using fewer parameters and optimization steps than recent literature baselines. These results establish a simple principle: an NO need not accurately predict the solution to be useful; it only needs to identify the correct basin from which PINN optimization can recover it.

Pretraining a neural PDE surrogate can reduce the amount of new CFD data needed when geometry or modeled physics changes. However, it remains unclear how different components of distribution shift affect this benefit. We pretrain a surrogate on 254,909 RANS solutions from one airfoil family and fine-tune it on a new family under two target settings with matched freestream ranges: the same Spalart-Allmaras (SA) modeling and SA with added $e^N$ transition modeling. At $N=1000$, the pretrained model matches the accuracy of a model trained from scratch on $3.25\times$ as many samples for the same-SA target, but $2.58\times$ as many for the transition-modeled target. By $N=5000$, this ordering reverses ($1.56\times$ versus $1.86\times$). At $N=1000$, sampling more distinct airfoils lowers error on both targets, but only for the same-SA target is the gain increase larger than the observed draw-to-draw variation ($3.3\times$ to $4.0\times$). These results show that pretraining value depends jointly on target-data budget, target-data coverage, and whether source and target differ in modeled physics.

Hybrid domain decomposition methods provide a flexible framework for coupling full order models (FOMs) and reduced order models (ROMs), but typically assume the model assigned to each subdomain is fixed throughout a simulation. This is limiting for transient problems in which localized features propagate through the domain and the regions requiring high-fidelity resolution change over time. We introduce a reinforcement learning (RL)-based approach for online adaptation of FOM-ROM models coupled via the overlapping Schwarz alternating method (O-SAM), an iterative domain decomposition method that solves subdomain-local problems while exchanging solution information through transmission boundary conditions on overlapping interfaces. Deep Q-networks (DQNs) are trained offline to select among subdomain-local FOMs and pre-trained Operator Inference (OpInf) ROMs using a reward balancing accuracy, cost, and model-switching frequency. Once trained, the policies are deployed predictively on problem instances not seen during training, without requiring a reference FOM solution. We demonstrate the approach on two examples: a 1D advection-diffusion problem with a moving front, and a 3D linear elastic wave propagation problem implemented in the Norma.jl solid mechanics code. For the advection-diffusion benchmark, the learned policy dynamically allocates high-fidelity resolution as the front propagates and outperforms static FOM/ROM assignments; letting the agent also adapt the domain decomposition provides no further benefit. For the elastic wave benchmark, learned policies for two and three subdomain decompositions track the propagating wave by assigning FOMs to subdomains containing the wave and ROMs elsewhere, as expected. Our results demonstrate the potential of RL to enable predictive online adaptation of model fidelity within Schwarz-based hybrid simulations.

Surrogate credibility for fluid-structure interac- tion (FSI) requires distinguishing transfer across independent anatomies from interpolation within an already sampled surface. Four de-identified human aortic models from the Vascular Model Repository were reconstructed into separate lumen and nominal 1.5-mm wall domains and analyzed under matched first-cycle two-way FSI. A geometry-only LightGBM prior, selected by leave-one-anatomy-out development on three anatomies, was zero-shot evaluated on a fourth, then probed with a post-zero- shot sparse field-completion case study over six targets. Zero-shot transfer was poor across all targets. At a five-percent anchor level (203 anchors, 3,852 evaluation nodes), prior-plus-adaptation reached an oscillatory shear index (OSI) R2 of 0.603. However, same-anchor controls tuned only on the three development anatomies were stronger for several outcomes: inverse-distance weighting reached R2 = 0.829 (OSI), 0.617 (peak von Mises stress), 0.676 (mean stress); radial basis function interpolation reached 0.917, 0.714, 0.778. Sparse within-anatomy labels thus support field completion, but this four-anatomy cohort gives no evidence the cross-anatomy prior adds value beyond direct interpolation. We frame this as a first computational stage toward a measurement-linked digital twin: the surrogate/update layer is evaluated here, while larger cohorts, converged FSI, measurable patient-side inputs, and physics-informed learning remain future work, not a claim of a complete clinical twin. Our code, data and computation files are available at https://github. com/ali-nourbakhsh2005/Aortic-FSI-Sparse-Field-Completion