Shape-constrained and physics-informed learning reports an accuracy cost of enforcing a prior and treats it as a property of the prior. We show it is mostly a property of the free features and the validation split. Let P be the excess risk of restricting a hypothesis class to functions with a shape constraint on features S, and D the excess risk of the ablated model that ignores S. Because a function constant in x_j is both non-decreasing and non-increasing in x_j, the ablated class is contained in the constrained class, so 0 <= P <= D for every risk functional, with no convexity, smoothness, or realizability assumption. Empirically the bound is a sign test: a constrained model must never be beaten by its own ablation. We instantiate it on an ordinal wildfire-severity task (N = 26,681, K = 3) with hard monotone constraints on four meteorological drivers, coordinates left free, and a validation ladder from i.i.d. resampling to 2-degree spatial blocking. Coordinates act as a shield: alone they recover 92.9% of the full model's macro-F1 under spatial blocking, collapsing D from 0.1288 to 0.0427; the same prior costs 0.0473 shielded and 0.3470 unshielded, a ratio of 7.3 with identical physics. Because D is protocol-dependent it does not transfer: coarsening blocks from 1 to 10 degrees drives D from 0.0942 to 0.0050, leaving two configurations unidentifiable a priori. Inversions of the certified nesting bound the pipeline's additive resolution: over 318 comparisons they give a self-calibrating floor of 0.0220 macro-F1, below which no reported price is interpretable, including four cells in our own headline grid. Cost and compliance are independent: the unconstrained model violates the prior at rate 0.48-0.49 while enforcing it costs 0.0473. We give a two-fit screen that rejects unidentifiable experiments before a constrained model is trained.
With the increasing integration of renewable energy sources, energy storage systems have become essential, making the accurate estimation of their State of Health (SOH) and degradation behavior critical. In this work, we propose a physics-informed deep learning approach for lithium-ion battery SOH prediction using incomplete discharge curves extracted from arbitrary voltage ranges, thereby reflecting realistic and heterogeneous operating conditions. The proposed method combines data-driven learning with physically motivated degradation dynamics to ensure consistent and reliable SOH estimation from partial discharge information, achieving a MAPE below 4$\%$. In addition, a real-time degradation trend estimation strategy is introduced to detect key aging transitions without requiring prior knowledge or historical data, making it applicable to a wide range of batteries. Overall, our approach enables SOH estimation from arbitrary discharge segments and a real-time degradation forecast that continuously integrates all usage, overcoming previous methods that rely on fixed protocols or early, non-adaptive predictions.
Oscar L. Cruz-Gonzalez, Valérie Deplano, Badih Ghattasstat.ML cs.LG physics.flu-dyn
Clinically actionable, patient-specific hemodynamic assessment, specifically wall shear stress, vortex structure and pressure distributions, is critical for determining risky or unfavorable evolution in Abdominal Aortic Aneurysms (AAA). While Physics-Informed Deep Operator Networks (PI-DeepONets) show promising results in complementing established 5 tools such as Computational Fluid Dynamics (CFD), a persistent architectural challenge remains for complex 3D flows. In this direction, we propose a Modified Multi-Input Multi-Output PI-DeepONets (M3PI-DeepONet) designed for predicting unsteady flows in an idealized AAA geometry. Central to our model is the Aggregated Injection strategy, where latent representations from multiple input branches are fused prior to trunk injection, allowing the coordinate basis to adapt to multiple physical constraints. To the best of our knowledge, this is the first architecture to combine the layer-wise gating mechanism with a multi-branch operator-network topology, yielding an input-adaptive trunk basis. Additionally, we integrate the 3D Navier-Stokes equations as governing physical laws, so the model is trained based on physics-informed residuals, initial and boundary conditions, and only 0.3% of the labeled internal data together with the selected branch-conditioning signals. The M3PI-DeepONet simultaneously predicts unsteady 3D flow velocity and pressure fields with an average relative L2 velocity error below 4% and pressure error around 5% while achieving a conservative retained-cycle inference speedup of approximately 36x compared to reference CFD simulations once the branch inputs used for conditioning are available. This work advances the application of deep learning in cardiovascular disease modeling, marking step toward real-time, non-invasive clinical diagnostics.
Emmanuel Lwele, Francis Chikwetophysics.med-ph cs.LG
Cardiovascular digital twins aim to create patient-specific computational models that evolve with clinical data to support diagnosis, prognosis, and therapy optimisation. Mechanistic models provide physiological interpretability but remain computationally demanding, whereas data-driven approaches improve scalability yet risk limited robustness. Emerging physics-informed, graph-based, and hybrid methods integrate physical constraints with relational learning across vascular networks. We review modelling paradigms, data assimilation frameworks, validation challenges, and translational pathways toward clinically deployable cardiovascular digital twins.
Symmetry is central to modern machine learning and physics: invariances and equivariances improve sample efficiency, robustness, and out-of-distribution generalization, while symmetry principles guide scientific modeling. Yet for stochastic dynamical systems the relevant continuous symmetries are rarely known, and symmetry discovery for SDEs has remained essentially unexplored. We introduce \textit{LieStoNet}, an end-to-end, \emph{template-free} framework for discovering Lie-point symmetries of SDEs directly from spatiotemporal trajectories, without prespecifying symmetry groups, templates, or canonical coordinates. Building on the seminal SDE Lie-symmetry theory of Gaeta and Quintero (1999), which formalizes Lie-point SDE symmetries and their relation to Fokker-Planck symmetries, LieStoNet learns neural surrogates for drift and diffusion from increments, then learns projectable generators by enforcing the SDE determining equations, separately regularizing for closure under Lie brackets, adherence to the Lie algebra axioms (bilinearity, antisymmetry, Jacobi), and a non-redundant independent basis. The surrogate also defines an associated Fokker-Planck equation, enabling optional discovery of its Lie-point symmetries in parallel. Across multiple canonical SDEs with known analytic symmetries, LieStoNet recovers generators consistent with the ground-truth symmetry algebra, providing interpretable symmetry discovery for noisy dynamics. Code is available at \href{https://github.com/sumit-sinha-seas/LieStoNet_Final.git}{this link}.
We present a novel approach to regression tasks using classification which is motivated by the mechanism used by fruitflies to sense their environment. Specifically, we formulate a general framework for learning nonlinear input-output relationships by replacing complex global surrogate models with a finite library of representative local patterns. Since scientific data often occupy limited and recurring regions of the input space, we generate predictions by measuring similarities between a query and stored patterns, then combining their associated responses through weighted reconstruction. We apply this approach to nonlinear dynamical systems, data-driven regression, and physics-informed learning using suitable embeddings and similarity measures. For dynamical systems, our offline-online workflow extracts patterns from data or governing equations during the offline phase, while online prediction requires only similarity evaluation and response aggregation. This structure helps us reduce computational and memory demands while providing explicit control over the trade-off among accuracy, storage, and inference cost.
Joachim Bona-Pellissier, Giacomo Meanti, Matteo Santacesaria +1stat.ML cs.LG
Physics-informed machine learning incorporates physical principles --often expressed via differential operators-- into data-driven models. While physics-informed neural networks (PINNs) dominate empirical applications, the complexity of neural network architectures and optimization landscapes hinders the development of a corresponding learning theory. In turn, kernel methods offer an appealing alternative with closed-form solutions and analytical tractability, yet existing guarantees primarily cover the well-specified setting where the target belongs to the native Reproducing Kernel Hilbert Space (RKHS). This imposes unrealistic regularity assumptions that physical targets often fail to satisfy. In this paper, we introduce and analyze Physics-Informed Kernel methodS (PIKS). We establish the universal consistency of PIKS for linear differential constraints, proving that for universal kernels (such as Gaussian or Matérn), the estimator asymptotically learns the target while satisfying physical constraints. We further derive finite-sample bounds under suitable source conditions. Our analysis is based on extending classical operator-theoretic analysis of kernel methods to physics-informed machine learning. Numerical experiments demonstrate that PIKS can be competitive with PINNs and traditional finite element methods.
Muhammad Akbar Khan, Fahim Raees, Ubaida Fatimacs.LG math.NA physics.comp-ph
Identifying cost-effective indigenous building materials that minimise heat penetration through walls is critical for indoor thermal comfort in low-income rural housing in hot-dry climates, where summer temperatures routinely exceed 45 C. We present a two-stage computational framework for thermal ranking of five low-cost indigenous wall materials: mud brick, clay-straw adobe, lime-stabilised bamboo panel, fired clay brick, and lime-mud composite. First, a validated Crank-Nicolson finite difference method (FDM) solves the one-dimensional transient heat equation with Robin boundary conditions under diurnal solar and outdoor air-temperature forcing, generating 1500 periodic-day solutions across a nine-dimensional parameter space by Latin Hypercube sampling. Second, a Physics-Informed Neural Operator (PINO) with a Fourier Neural Operator (FNO) backbone learns the parameter-to-solution operator mu -> T(x,t), enforcing both data fidelity and PDE consistency. The trained PINO attains a relative L2 field error of 5.14e-4 and a 0.201 K mean absolute error on the peak inner surface temperature, preserving the FDM material ranking exactly; PINO trained on 150 FDM samples matches a data-only FNO trained on twice as many, so the physics loss is most valuable when data are scarce. The periodic-day formulation also yields the ISO 13786 time lag and decrement factor, reproduced to within 0.99 h and 0.010. At nominal hot-dry summer conditions, clay-straw adobe achieves the best cost-performance index among widely available materials. A climate sweep, confirmed by FDM spot checks, reveals a regime boundary: under sub-ambient outdoor conditions the ranking inverts to conductive fired clay brick, delineating heat-exclusion and heat-rejection regimes. The framework supports evidence-based material selection for post-flood reconstruction in hot-dry regions.
Amirhossein Sadr, Nima Soltani, Vahideh Moghtadaiee +3cs.LG math.NA
Physics-informed learning of partial differential equations (PDEs) has been dominated by multilayer perceptrons (MLPs), whose spectral bias and dense parameterization limit both accuracy and interpretability. Kolmogorov Arnold Networks (KANs) mitigate these limitations because their learnable spline activations are structurally aligned with the piecewise-polynomial bases of classical discretizations. However, the way a PDE is cast into a loss functional is as decisive as the choice of approximator: strong-form residual minimization requires high-order derivatives and heavily weighted losses, the energy (Bubnov-Galerkin) form is restricted to self-adjoint operators and, as we show, collapses to a trivial solution for parameter-identification problems, and boundary integral forms require a known fundamental solution. We propose PG-KINN, a physics-informed KAN built on a Petrov-Galerkin formulation in which the trial space is a KAN and the test space is an independent, compactly supported, piecewise-polynomial space evaluated with Gauss-Legendre quadrature. Integration by parts lowers the differentiation order while retaining applicability to general non-self-adjoint, nonlinear, and inverse problems; the localized test functions turn the global residual into a set of element-wise weak residuals with favorable conditioning. On a suite of benchmarks spanning crack singularities, stress concentration, Neo-Hookean hyperelasticity, inverse parameter identification in heterogeneous media, and complex geometries, PG-KINN consistently outperforms legacy MLP baselines and state-of-the-art KAN-based strong/energy/inverse formulations (PIKAN). These results position the Petrov-Galerkin coupling of KAN trial spaces and polynomial test spaces as a robust and accurate route for AI-based computational mechanics.
Wendi Guo, Søren Byg Vilsen, Daniel Ioan Stroe +4cs.LG eess.SY
Supercharging of lithium-ion batteries (LiBs) requires robust health monitoring to ensure durability, safety, and user confidence, particularly for emerging vehicle-to-grid applications with bidirectional energy flows. Yet battery management remains largely disconnected from the material and structural origins of aging, limiting both interpretable health assessment and informed battery design. Here we propose a physics-informed learning framework with virtual sensing that infers hard-to-measure design parameters, including solid-state diffusion coefficient, electrode thickness, ion concentration, and particle size, directly from standard battery management system (BMS) measurements. Across diverse fast-charging strategies and driving profiles, embedding a digital-twin-derived particle-cracking mechanism as a soft constraint reduces trajectory and lifetime prediction errors by 6-8 times relative to state-of-the-art machine learning baselines using only 2% early-life observations. We further show that accurate degradation extrapolation does not require fully resolved governing equations; validated partial mechanisms, jointly refined with limited data, provide sufficient guidance. Virtual sensing transforms standard charging signals into latent design variables without additional sensors, bridging observable battery behavior and underlying aging processes while reducing capacity loss error by up to 39%, end-of-life (EOL) error by 17%, and prediction variability by up to 54%, enabling real-time exploration of new battery configurations. More broadly, the proposed framework establishes a practical feedback loop between deployment and development, demonstrating how real-world operation can continuously inform upstream design decisions across complex multiphysics systems.
Giovanni Canali, Nicola Demo, Gianluigi Rozzacs.LG math.NA
This work introduces Physics-Informed Splines (PI-Splines), a structured spline-based architecture for physics-informed learning. Instead of representing the solution of a differential equation with a neural network, PI-Splines directly parametrize the unknown field through a tensor-product B-spline expansion with trainable control coefficients. This formulation preserves the residual-based training paradigm of Physics-Informed Neural Networks while providing compact support, explicit smoothness control, analytical derivatives, and a direct geometric interpretation of the trainable parameters. When compatible with the spline representation, boundary conditions can be imposed strongly by fixing suitable boundary control coefficients. The proposed method is evaluated on several benchmark problems of increasing difficulty and compared with standard physics-informed frameworks under matched governing equations, collocation sets, loss terms, and optimization procedures, so as to isolate the effect of the approximation architecture. Numerical experiments show that PI-Splines provide a competitive and stable alternative to neural physics-informed architectures, particularly in settings where structured representations, locality, and parameter efficiency are desirable.
Dimitrije Ždrale, Cassie An Jeng, Katie Wang +3cs.LG cs.AI
We introduce HypNO, a graph-based neural operator for scalar hyperbolic conservation laws. HypNO operates directly on a space-time graph of finite-volume cells and uses adjacency-factored, physics-informed message passing to respect upwinding and entropy admissibility near shocks. We benchmark the architecture on the Lighthill-Whitham-Richards (LWR) and Aw-Rascle-Zhang (ARZ) traffic-flow models, a stress test for operator-learning methods because of their simultaneous global transport and shock formation. HypNO predicts solution snapshots accurately across a range of initial conditions while capturing the shocks and discontinuities of the solution.
In physically dominated machining processes, experimental datasets are small, expensive, and material-specific; in this regime, data curation, evaluation design, and the form of physics integration can matter as much as the learning algorithm. Using an abrasive waterjet milling dataset ($n{=}155$, Inconel\,718), we make three methodological contributions. First, we separate physics-based data \emph{cleaning} from statistical \emph{curation} and treat the latter as competing modelling hypotheses rather than silent preprocessing. Second, we find that model rankings from a 15-point hold-out set can be unstable: the single-split winner drops from rank~1 to rank~7 under 10-fold cross-validation, while Gaussian Process (GP) variants occupy the top ranks. Third, we study a spectrum of physics integration levels and find that residual learning on a compact physics baseline is competitive for GP, yielding lower variance and an interpretable decomposition, but degrades tree-based models. Bayesian hyper parameter tuning improves parameter-sensitive baselines such as gradient boosting and SVR, yet harms multi-stage hybrid pipelines at this sample size. GP uncertainty intervals are approximately calibrated ($86\%$ empirical coverage at nominal $90\%$). The resulting picture is methodological: for small, expensive process datasets, our results suggest that, in this setting, reliable model comparison benefits from explicit curation hypotheses, robust evaluation, and careful choices about how physics enters the model.
Physics-informed learning promises data-efficient and stable dynamics prediction, yet its strongest geometric guarantees have largely remained confined to closed conservative systems. This excludes robotic systems of interest, where actuation, dissipation, and constraints exchange energy and momentum with the environment. We introduce CaLiSym, a lightweight framework that extends symplectic learning to such systems by changing where the geometric prior is imposed. Rather than enforcing symplecticity on the measured state, CaLiSym embeds the state and its ports into a lifted phase space, where the dynamics evolve through a symplectic map. The lift is explicit and algebraic, requiring neither recurrent latent states, transformer decoders, implicit optimization, nor inference-time numerical integration. We instantiate the framework with SympNet predictors and introduce GRB-SympNet, a B-spline variant combining approximation with exact symplectic structure. Experiments on a controlled dissipative double pendulum, a real-world quadrotor, and a contact-constrained real-world quadruped demonstrate the lowest out-of-distribution autoregressive rollout error across systems, improving by up to 69.5% while using fewer parameters and up to 85x fewer floating-point operations per step than sequence-model baselines. The lifted dynamics preserve the symplectic form to numerical precision, extending symplectic learning beyond conservative mechanics toward real-world robotics.
Intelligent industrial maintenance critically relies on reliable fault diagnosis of rotating machinery. However, it faces formidable challenges from unknown fault types and domain shifts induced by varying operating conditions, which is formally formulated as the open-set domain generalization (OSDG) problem. Existing methods are mainly data-driven, thereby overlooking the cascaded propagation of uncertainty across feature extraction, topological learning, and decision-making stages.To tackle this challenge, we propose PGU-OD, a novel Physics-Informed Graph Learning framework with Uncertainty Awareness for Open-set Domain generalization. First, it designs a physics-informed spectral attention module to extract condition-robust fault features, thereby suppressing perceptual uncertainty caused by frequency shifts. Further, it constructs an uncertainty aware adaptive graph learning mechanism to dynamically adjust the edge weights of the sample graph guided by class-scale Gaussian distribution parameters, which mitigates the structural propagation of uncertainty. Finally, a Gaussian-distribution-based adaptive boundary loss function and a dual-criteria open-set inference strategy are developed to optimize decision boundaries and reliably reject unknown faults. Extensive experimental evaluations on two public and widely used rotating machinery fault datasets demonstrate that the proposed PGU-OD outperforms state-of-the-art baselines in both known fault classification and unknown fault rejection under domain shifts.
Solving partial differential equations (PDEs) with high-frequency solutions remains a central challenge in physics-informed machine learning due to spectral bias -- the tendency of neural networks to learn low-frequency components preferentially. This paper proposes a Frequency Shift Physics-Informed Extreme Learning Machine (FS-PIELM) framework that addresses this limitation through an additive mechanism for weight initialization. Rather than multiplying random weights by a scaling factor, the method translates the mean of the Gaussian weight distribution while keeping the variance fixed at unity, thereby avoiding the variance amplification inherent in scaling-based methods. Two variants are developed: FS-PIELM-L assigns independent frequency magnitudes to individual neurons, while FS-PIELM-G groups neurons for improved robustness. Theoretical analysis shows that the frequency variance under the proposed framework remains bounded and approaches unity regardless of target frequency, in contrast to the quadratic growth of conventional approaches. The method preserves the computational efficiency of extreme learning machines, requiring only a single linear solve. Experiments on seven benchmark problems spanning six equation types -- Helmholtz, wave, Poisson, Klein-Gordon, heat, and advection-diffusion -- on both regular and complex geometries show that the linear variant achieves the best accuracy in six of seven cases, with improvements of one to nearly five orders of magnitude over existing PIELM variants. The code and data accompanying this manuscript will be made publicly available at https://github.com/xgxgnpu/Physics-informed-vibe-coding/tree/main/FS-PIELM.
Jingren Xie, Alex John Buckthal, Ryan Anthony O'Connor +2cs.LG
Wood materials exhibit complex, spatially varying thermal properties that challenge traditional architectural assumptions of material homogeneity. Although data-driven approaches can directly map wood RGB images to their corresponding thermal responses, they operate as uninterpretable black boxes that prioritize statistical correlation and may absorb experimental noise rather than thermodynamic plausibility. To address these limitations, we present physics-informed deep learning frameworks that integrate partial differential equations (PDEs) to predict pixel-level thermal responses of spatially heterogeneous wood materials using wood RGB images and testbed temperature maps. Specifically, we investigate two distinct approaches to enforcing a normalized 2D steady-state heat transfer equation derived from the general heat transfer equation: Physics-Informed Convolutional Neural Networks (PICNNs), which embed physics as a soft penalty term in the loss function, and Physics-Integrated Convolutional Neural Networks (PInteCNNs), which hard-code an analytical approximator-predictor-corrector solver directly into convolutional neural networks. To validate our proposed approaches, we collect three real-world multimodal datasets of Poplar, Grandis Cross-Cut (Grandis-CC), and Grandis Radial-Cut (Grandis-RC) wood samples. We further demonstrate that embedding physical inductive biases successfully balances predictive accuracy, physical interpretability, and intra-species diversity, outperforming data-driven approaches in handling complex wood material heterogeneity and enabling the extraction of interpretable physical parameters. Project: https://zekifayes.github.io/pim
Photonic quantum machine learning offers a route to trainable physical representations built from phase, interference and measurement. However, its role in scientific machine learning remains largely unexplored. Physics-informed neural fields provide a natural setting, because differential equations require trial spaces that preserve phase, frequency and derivative structure. Here we introduce a photonic quantum neural field in which coordinates become trainable optical phases, are mixed by multi-photon Fock-space interference and are decoded from photon-number measurements. The photonic circuit is optimized as the neural-field representation itself, not as a fixed feature map or hardware accelerator. Photonic measurement is therefore a trainable representation on which the physics-informed residual is minimized. Across seven elliptic, wave, nonlinear dispersive and inverse PDE benchmarks, we observe a phase-complexity transition: classical coordinate and Fourier-feature networks suffice in smooth regimes, whereas the photonic field is most accurate when residual derivatives amplify phase mismatch. In the hardest regimes it gives the lowest errors, with margins reaching an order of magnitude and about one quarter of the trainable parameters of classical baselines. Frozen and shuffled controls, together with noise stress tests, attribute this gain to learned interference and stable Fock-probability readout under compound perturbations. These results identify photonic quantum measurement as a representation-learning principle for scientific machine learning.
Wave parameters in the nearshore are crucial for coastal engineering, shoreline protection, marine hazard assessment, and coastal management for climate resilience. Traditional monitoring systems like buoys and radar platforms offer accurate monitoring but can have high installation and maintenance expenses and limited spatial coverage. Passive ocean monitoring using video has been achieved by leveraging deep learning, however, many methods are not physically interpretable, feasible, and validated for oceanography. In thiswork, a Physics-Guided Deep Spatiotemporal Learning Framework for direct estimation of nearshore wave peak periods from passive coastal video stream is proposed. The framework combines automated temporal-variance based region-of-interest detection, multi-stage Sim-to-Real transfer learning, and physics-informed regularization to enhance the predictive accuracy and physical consistency. A variety of spatiotemporal architectures were assessed, such as transformer-based and recurrent-convolutional ones, alongside synthetic pretraining,silver-label adaptation, and expert fine-tuning. The results show that transformer-based architectures outperformed in terms of the accuracy of the instantaneous prediction, while lightweight recurrent-convolutional architectures achieved higher temporal stability and operational oceanographic skill. Ablation studies also demonstrated the benefits of physics-guided regularization in terms of trend-following consistency, and physically implausible predictions. Explainability auditing also helped to focus attention in hydrodynamically active surf-zone regions and showed good agreement with the physically derived wave propagation behavior. In general, the proposed framework shows the promise of physics-guided video-based deep learning systems for long-term coastal wave monitoring that are cost-efficient and operationally feasible.
Mostafa Bamdad, Mohammad Sadegh Eshaghi, Timon Rabczukcs.LG physics.comp-ph
Neural operators provide a powerful framework for learning solution mappings of partial differential equations directly in function space. However, many existing architectures still struggle to represent nonlinear time-dependent systems that involve multi-scale structures, long-range interactions, and stable long-time evolution. In this work, we introduce the Hierarchical Adaptive Multi-scale Neural Operator (HAMNO), a neural-operator architecture that combines local convolutional representations, global spectral operators, and hierarchical encoder-decoder processing. The central component of HAMNO is a data-dependent gating mechanism that adaptively balances local and global information at each spatial location, allowing the model to resolve fine-scale features while preserving long-range dependencies. We further develop a physics-informed extension, PI-HAMNO, based on a multi-objective loss strategy that combines data fitting with strong- and weak-form physics constraints. The strong-form term penalizes the domain-integrated squared PDE residual in physical coordinates, while the weak-form term is constructed by multiplying the governing residual by finite-element test functions and evaluating the resulting element integrals using centroid-based tetrahedral quadrature. The framework is evaluated on non-periodic Allen-Cahn (AC), Cahn-Hilliard (CH), and Swift-Hohenberg (SH) equations defined on cubic domains. Across long-horizon rollout, data-limited training, out-of-distribution initial-condition shifts, and random-seed variations, HAMNO improves predictive accuracy over standard neural-operator baselines, while PI-HAMNO further enhances stability, physical consistency, and data efficiency. The implementation is publicly available at https://github.com/MBamdad/HAMNO .
Physics-informed neural operators (PINOs) aim to learn solution operators for partial differential equations by using the governing physics as supervision, rather than relying solely on paired input-output simulation data. By incorporating physical constraints into the training objective, PINOs combine the cross-instance generalization of neural operators with the data efficiency of physics-informed learning. Despite this promise, how to train PINOs efficiently and robustly remains less well-understood than the training of either data-driven neural operators or physics-informed neural networks (PINNs). To bridge this gap, we examine key components of the PINO training pipeline, including architecture design, optimizer choice, loss balancing, and collocation-point sampling strategy. We study three representative operator backbones, Deep Operator Network (DeepONet), Fourier Neural Operator (FNO), and Continuous Vision Transformer (CViT), across five diverse parametric PDE systems. Our results show that CViT provides consistently strong and stable performance across the considered benchmarks. Beyond architecture, we find that several optimization pathologies previously identified in PINN training naturally arise in PINOs, including gradient conflicts and causal violation. We also find that mitigation algorithms developed for PINNs remain effective in the PINO setting. We further compare physics-informed and data-driven training under different data regimes, revealing that a carefully designed physics-informed training pipeline can match, and in some cases, outperform purely data-driven neural operators. Taken together, these findings provide a systematic empirical understanding of the optimization challenges in PINO training and inform a practical pipeline for efficient and robust physics-informed operator learning. Code and data are available at https://github.com/NanxiiChen/PI-CViT.
Shinhoo Kang, Hai V. Nguyen, Tan Bui-Thanhmath.NA cs.LG
Learning chaotic dynamical systems from data requires more than short-term predictive accuracy: the learned model must preserve the attractor geometry and its invariant statistics. Trajectory (zero-order) and Jacobian (first-order) matching supervise the values and tangent structure of the vector field, but neither constrains how the field bends away from its tangent plane. A model can thus match values and tangents at the supervised states yet curve differently from the truth, remaining locally accurate while drifting toward spurious attractors and distorting long-time statistics. We show that enforcing second-order consistency mitigates these failures, but forming the full Hessian is prohibitive in high dimensions. We propose model-constrained randomized Jacobian matching, which compares the Jacobians of the true and learned vector fields at randomly perturbed inputs. A Taylor expansion shows that the expected randomized Jacobian loss decomposes into the nominal Jacobian mismatch plus a Hessian mismatch scaled by the noise variance, implicitly enforcing second-order consistency at $\mathcal{O}(d^2)$ cost without forming the $\mathcal{O}(d^3)$ Hessian tensor. Using only Jacobian evaluations, the method scales to high dimensions where explicit Hessian matching does not. Numerical experiments confirm that second-order methods are robust. For Lorenz~63, first-order methods produce catastrophic Lyapunov-exponent outliers under minimal temporal supervision, which second-order methods eliminate while recovering the correct attractor. For coupled Lorenz~96, an out-of-distribution forcing sweep separates the methods: all agree up to $F=16$, but beyond $F=18$ only second-order methods preserve the invariant measure and Lyapunov spectrum. On both systems, randomized Jacobian matching performs comparably to explicit Hessian matching at much lower cost.