Partial Differential Equations

Locating periodic solutions of chaotic dynamical systems normally requires an initial guess close enough to the target orbit for numerical continuation or gradient-based search to converge. We show that Physics-Informed Neural Networks (PINNs) trained on sparse, noisy observations \emph{without} initial conditions recover periodic orbits of the gravitational three-body problem, including orbit families absent from the training data. The method rests on a second-order ODE formulation, fixed-frequency Fourier features, percentile-based adaptive refinement, and a trainable scaling parameter, each validated on forward problems. Across two 100-seed ensembles, $23$--$25\%$ of runs converge to families not present in the training data. We then ask what determines which family emerges. Two $χ^2$ tests give a consistent answer: changing the training data source significantly shifts the distribution of recovered families ($p < 0.001$, Cramér's $V = 0.339$), whereas switching between the two initialization distributions tested does not ($p = 0.620$, $V = 0.094$). The random seed selects which family a given run recovers; the \emph{distribution} the weights are drawn from does not shift the aggregate frequencies, but the training data does. The evidence is empirical: we do not characterize the loss landscape analytically, and PINNs remain slower than conventional integrators on well-posed initial-value problems. What the experiments establish is that the recovered orbits are verifiable rather than merely plausible: the identified ones refine to genuine periodic solutions, a network trained on Lagrange data recovers the figure-eight choreography (Li--Liao class I.A.1, matched to seven significant digits in $T^*$), and one trained on figure-eight data recovers a Broucke--Hadjidemetriou--Hénon orbit closing to $δ_T < 10^{-9}$.

Parameterized and coupled partial differential equations (PDEs) are central to modeling phenomena in science and engineering, yet neural operator methods that address both aspects remain limited. We extend Fourier neural operators (FNOs) with minimal architectural modifications along two directions. For parameterized dynamics, we propose a hypernetwork-based modulation that conditions the operator on physical parameters. For coupled systems, we conduct a systematic exploration of architectural choices, examining how operator components can be adapted to balance shared structure with cross-variable interactions while retaining the efficiency of standard FNOs. Evaluations on benchmark PDEs, including the one-dimensional capacitively coupled plasma equations and the Gray-Scott system, show that our methods achieve up to 55-72% lower errors than strong baselines, demonstrating the effectiveness of principled modulation and systematic design exploration.

We propose a neural representation for minimal surfaces. Unlike prior approaches based on discretization or Physics-Informed Neural Networks (PINNs), where meshes or neural fields are optimized to approximate the governing equations, our method builds on an exact representation, similar to the classical Weierstrass--Enneper parameterization, yielding minimal surfaces up to negligible quadrature error in evaluation. We formulate a training objective for the Plateau problem that optimizes over this representation.

We introduce a new research area that is called Asymptotics Learning Theory (ALT) and combines optimization with asymptotic analysis. In particular, ALT provides a unified approach for computing unknown constants/parameters in proven asymptotic expansions using optimization theory. In this paper, we focus on a general asymptotic form which includes a broad class of asymptotics. Furthermore, we study two powerful numerical methods, namely, sliding Linear Least Squares (sLLSQ) and sliding Tikhonov Linear Least Squares (sT-LLSQ). For these techniques we rigorously prove asymptotic estimates that lead to sufficient conditions for convergence (to the correct values of unknown parameters) and convergence-rate guarantees. Despite their strengths, both methods have also limitations, e.g., slow convergence---or even, counterintuitively, divergence---in some cases. Moreover, we present fundamental applications in analytic combinatorics, a beautiful field of mathematics that deals with asymptotic enumeration of discrete structures using complex analysis. The proposed techniques complement existing approaches, such as the ratio method and its variants. Numerical examples also verify the theoretical results. Finally, we discuss interesting research directions in ALT.

Despite the empirical success of score-based diffusion models, a complete theoretical understanding of how finite-sample learning, network parameterization, and numerical discretization jointly dictate generative quality remains underdeveloped. Existing sampling analyses often evaluate the generative performance conditional on an oracle score or a pre-specified error threshold. In this work, we establish a unified convergence and generalization framework for score-based diffusion models parameterized by practical ResNet-type architectures. We analyze the generalization and convergence properties from the practical finite-sample, discrete-time learning problem of the score function to the ideal continuous-time, population-level objective. Based on the generalization result of the learning problem of score function, we analyze the sampling process induced by the learned score function and provide an end-to-end total variation distance estimate for the generated terminal distribution. This estimate explicitly decomposes the overall generative error into four interpretable components: the truncation error of the forward process, the reverse-time discretization error, the generalization error incorporating both finite data and forward-time discretization, and the training optimization gap. Our results quantitatively characterize how the training sample size, temporal discretization grids, and optimization accuracy jointly control the final fidelity of samples generated by diffusion models.

We develop a data-driven approximation of the projected ambient connection Laplacian acting on differential forms over smooth Riemannian manifolds sampled by point clouds. The proposed construction extends the classical framework of diffusion maps and Vector Diffusion Maps from scalar functions and tangent vector fields to differential forms of arbitrary degree. Our approach is based on a novel representation of differential forms as alternating differential arrays obtained through an extension of the classical musical isomorphism. This representation enables the construction of a matrix-valued diffusion operator that approximates the projected ambient connection Laplacian directly from point cloud data without requiring a mesh or simplicial complex. The proposed discretization admits the asymptotically optimal kernel bandwidth scaling inherited from diffusion maps, leading to sharper convergence guarantees than previous data-driven approximations of the Hodge Laplacian. Building upon this operator, we derive a fully data-driven explicit Euler scheme for the heat equation on differential forms and validate the proposed methodology through numerical experiments on the unit sphere. The experiments confirm the predicted decay of the analytical solution and demonstrate the effectiveness of the proposed discretization. The proposed framework provides a natural generalization of Vector Diffusion Maps to differential forms of arbitrary degree and establishes a practical foundation for the numerical approximation of geometric partial differential equations directly from point cloud data.

Accurate on-device fluid identification is essential for microfluidic applications, yet maintaining reliability under varying flow, pressure, and temperature remains a key challenge. Existing learning-based methods often treat sensor signals as domain-agnostic features, neglecting the underlying physical relationships that govern fluid behavior, thereby limiting generalization and interpretability. To address this, we propose PRIMS, a physics-aware multimodal Transformer that integrates physical knowledge into representation learning and attention mechanisms through three dedicated modules: (1) Physics-based Token Vectorization transforms raw Coriolis and pressure sensor signals into physically meaningful token embeddings; (2) Physical Component Synthesizer models viscosity-related dependencies among flow, pressure, and density; and (3) Physics-guided Fusion captures cross-physical correlations through attention-based integration. By embedding these physics-based relationships directly into the model architecture, PRIMS bridges analytical fluid mechanics and deep learning, enabling interpretable, data-efficient, and resilient fluid classification. Evaluations on a five-fluid benchmark under dynamic flow, pressure, and temperature conditions show that PRIMS achieves 98.92% average F1-score with only 0.46 million parameters, a 14 times reduction compared to state-of-the-art Transformer-based methods. PRIMS also consistently outperforms prior SOTA models under out-of-distribution shifts to unseen temperature ranges and unseen flow-rate ranges, indicating strong robustness to operating conditions not observed during training. These findings suggest that designing architectures that explicitly mirror governing physical relationships can make them learn transferable, environment-independent representations, improving real-world reliability for microfluidic sensing.

In this study, we introduce latent PDE mapping, a broadly applicable physics-informed learning technique designed to enable efficient geometric generalization with sparse training data. Latent PDE mapping pulls back geometry-specific PDE residuals and boundary conditions to a predefined latent geometry via the deformation gradient, thereby enabling the automated calculation of geometry-consistent shape gradients that are missing in conventional physics-informed machine learning formulations. We demonstrate the utility of latent PDE mapping in solving the anisotropic Aliev-Panfilov PDE of cardiac electrophysiology using both physics-informed neural networks and physics-informed deep operator networks. The Aliev-Panfilov PDE serves as a challenging exemplar: a nonlinear, time-dependent PDE benchmark with sharp gradients that are expensive to capture using traditional numerical solvers. To represent the limited data regime, we train the networks using just fifteen geometric samples drawn from parameterized distributions in two and three spatial dimensions. While modest improvements appear for geometries parameterized by affine and shear deformations, latent PDE mapping demonstrates significant benefits on select geometric families, achieving a factor ~4-6 reduction in mean relative L2 error. Furthermore, our results show that the computational cost of applying latent PDE mapping was modest during network training, and negligible at inference. Taken together, our study highlights how latent PDE mapping facilitates the creation of generalizable physics-informed machine learning models from limited sets of training geometries.

Energy natural gradient descent (ENGD) aligns parameter updates with the curvature of an underlying function-space energy, but existing formulations assume an unconstrained Euclidean parameter domain. We introduce \EMNGDfull{}, a manifold optimization framework for physics-informed and variational neural PDE solvers whose parameters lie on a Riemannian manifold. EMNGD restricts the energy-induced quadratic model to feasible tangent directions and uses retractions to preserve parameter constraints throughout optimization. Under coercivity, we prove that the push-forward of the undamped EMNGD direction is the best feasible approximation to the function-space Newton vector in the energy metric. We establish coordinate invariance, exact reduction to ENGD in Euclidean space, global first-order convergence with Armijo backtracking, and robustness to inexact tangent solves. For quadratic residual energies and generalized Gauss--Newton pullbacks, the Woodbury identity transfers the tangent system to sample space without changing the direction. Nyström approximation provides scalable sample-space solves with controlled direction error and recovers the exact direction after iterative convergence. On the evaluated neural PDE benchmarks, EMNGD achieves higher accuracy and faster convergence than the compared state-of-the-art baselines. Woodbury preserves the EMNGD direction, while scalable-solver diagnostics quantify the accuracy--cost trade-off of preconditioning and residual subsampling.

Developing foundational neural simulators for Partial Differential Equations (PDEs) requires robust generalization across diverse physical parameters and boundary conditions. However, current deep learning approaches largely face a structural trade-off between condition-agnostic deployment and physical fidelity. Purely data-driven operators infer the underlying physics implicitly and thus lack the explicit constraints needed to ensure physically valid solutions across varying domains, rendering the learning problem ill-posed. On the other hand, Physics-Informed Neural Networks (PINNs) enforce rigorous physical constraints but necessitate costly, instance-specific optimization. Furthermore, the massive scale of emerging foundational operators has severely degraded their inference speeds, making them computationally uncompetitive with traditional numerical solvers. To address this bottleneck between condition-agnostic deployment, physical rigor, and inference efficiency, we propose a \textit{Generalized Neural Operator}. By formalizing the classical conditions for well-posedness within neural operators, our framework demonstrates the theoretical benefits of explicitly conditioning on PDE parameters and boundary conditions. To implement this synthesis without compromising computational speed, we introduce three novel architectural components: a parameter-gated mixture of kernels for efficient parameter generalization, a generalized boundary transfer operator that projects arbitrary boundary constraints into a unified latent Dirichlet representation, and a specialized training objective to ensure stability. Extensive experiments demonstrate that our theoretically grounded approach achieves superior generalization across heterogeneous physical regimes while maintaining strict inference efficiency comparable to conventional numerical baselines.

Scientific machine learning methods such as neural operators and physics-informed neural networks have advanced engineering applications and inverse problems, but their training typically requires large volumes of simulated data. This makes data preparation and model training expensive. We propose Graph Wavelet Compressed Sensing (GWCS), a learning-based framework for offline compression of graph signals by representing them as sparse, interpretable wavelet-domain representations using the spectral graph wavelet transform. The framework combines a nonparametric multilevel importance sampler, which retains high-energy wavelet coefficients within each scale for a given compression ratio, with a scale-aware graph neural network that reconstructs the signal from the sparse coefficients. We evaluate the proposed framework on synthetic approximately band-limited graph signals over random graphs and four PDE simulation datasets over meshes, which include Turbulent Radiative Layer, Viscoelastic Instability, Kolmogorov Flow, and Dynamic Stall. We compare against graph signal sampling methods and graph autoencoder baselines. Results demonstrate that the framework achieves high reconstruction fidelity and substantial data compression compared to existing benchmarks.

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.

Constitutive modeling under uncertainty remains a central challenge for reliable mechanics simulations, particularly when the available stress-deformation data are sparse, noisy, or heterogeneous. We propose interval and fuzzy physics-augmented neural networks (iPANNs and fPANNs) for uncertainty-aware hyperelastic constitutive modeling. iPANNs learn sparse lower, mean, and upper free energy density branches whose stresses, obtained by automatic differentiation, ultimately enclose noisy stress observations. In contrast to this deterministic interval description, fPANNs embed the learned iPANN branches into a fuzzy-set representation through alpha-cut interpolation, yielding a nested family of admissible responses. iPANNs and fPANNs encode mechanistic constraints - preserving objectivity, consistency and promoting polyconvexity - and smoothed L0 regularization promotes interpretable energy representations. The bound models are trained through a two-stage transfer-learning procedure in which a sparse mean constitutive response is learned first and then fine-tuned into lower and upper energy branches. We evaluate the framework on synthetic isotropic hyperelastic data with heteroscedastic noise, varying random realizations, shifted noise means, and varying noise magnitudes. The results show that the learned bounds enclose noisy stress observations while generalizing to the test set. Further, we examine the propagation of uncertainty through the mean, upper and lower bound predictions of the learned iPANN models in a finite element setting. The proposed framework provides a compact, physics-consistent route for distribution-free aleatoric uncertainty quantification in hyperelastic constitutive modeling, and propagation in downstream finite element simulations.

Accurate modeling of environmental systems is fundamental to scientific understanding and decision-making, yet remains challenging because observations are limited and physical dynamics vary across systems. Retrieval-augmented approaches offer a natural path to transfer knowledge across systems, but standard embedding-based retrieval does not guarantee consistency of underlying physical processes, since scenarios with similar embeddings may arise from different underlying mechanisms. We propose Physics-Informed Environmental Retrieval (PIER), a model-agnostic framework that augments embedding-based retrieval with a physics-aware stream that scores candidates by flux-response consistency with the target, using local verifiers trained on physics-derived flux features. A weight adjustment mechanism then learns per-scenario weights that adaptively balance the two retrieval streams based on diagnostic features summarizing physics-stream reliability. Experiments on 356 lakes across the Midwestern United States spanning 41 years show that PIER consistently outperforms baselines for water temperature and dissolved oxygen prediction, and serves as a general augmentation strategy across diverse backbones.

We present a goal-agnostic control framework for partial differential equations (PDEs) built around an end-to-end joint-embedding predictive architecture (JEPA). A lightweight 2D vision-transformer (ViT) and action-conditioned latent dynamics are trained offline without a reward or downstream goal, before being frozen and reused by a model-predictive path integral (MPPI) controller. We minimize a control objective in the latent space, initially expressed via the $L^2$ distance and additionally illustrate the benefit of recasting the control objective in terms of an explicit physical observable when available. By instead minimizing the tracking error for a learned linear kinetic-energy (KE) probe on the frozen latent-state rollouts, we demonstrate the ability to reproduce the control of held-out trajectories with $R^2=0.989$, while requiring no change to the underlying world model. For a controlled 2D Navier--Stokes benchmark, using a KE-probe within MPPI planning improves the mean native reward from $-12.08\pm0.86$ for latent-$L^2$ tracking to $-10.90\pm0.91$ (95% CI), all while lowering last-quarter velocity-field RMSE from $0.0765$ to $0.0692$. Across three intentionally withheld, dissimilar, aperiodic targets, KE planning lowers late field RMSE by $53\%$ relative to latent-$L^2$ planning ($0.0220$ versus $0.0469$), winning across 30 paired comparisons. The same frozen model also supports stabilization around a steady-state configuration via direct regulation of KE, achieving $2.7\%$ mean relative error. While the latent probe proves brittle to measurement noise and missing pixels, our findings support the claim that latent dynamics can remain flexible and goal-agnostic, particularly when calibrated observables (granted they guarantee unique continuation) are a suitable objective for state control.

Real-fluid thermodynamic property evaluation is a major computational cost in supercritical combustion simulations. In the enthalpy-based pressure-correction formulation, the closure evaluates temperature T, density $ρ$, and compressibility coefficient $ψ$ from the solver state (h,p,Y) through enthalpy-temperature inversion and repeated real-fluid equation-of-state evaluations. Neural-network surrogates offer fixed-cost inference, but direct mapping from (h,p,Y) to $(T,ρ,ψ)$ must capture the enthalpy-temperature relation and non-ideal equation-of-state response, resulting in a complex regression problem. This work introduces a thermodynamics-informed input reparameterization strategy, termed target-aligned input reparameterization (TAIR). TAIR replaces the raw enthalpy coordinate of each property network with a target-matched thermodynamic coordinate: the temperature network uses a temperature estimate obtained by inverting a constant-$c_p$ ideal-gas mixture enthalpy approximation, whereas the density and compressibility networks use an ideal-gas density estimate. These algebraic transformations use only solver-available variables and species constants, guiding the networks to learn real-fluid departures from ideal-gas baselines rather than reconstructing the full closure from raw enthalpy. The method is assessed using supercritical methane-oxygen counterflow flame data against a raw-input baseline and target-inconsistent cross-reparameterization controls. TAIR reduces held-out RMSE by factors of about 1.5, 2.0, and 7.5 for T, $ρ$, and $ψ$, respectively. For an unseen strain-rate flame within the augmented thermodynamic envelope, the corresponding factors are 3.6, 14.5, and 6.0. The target-inconsistent controls perform worse, indicating that the gains arise from thermodynamically matched input design rather than generic preprocessing.

Motivated by the numerical computation of the Mean Escape Time (MET) $τ:Ω\to\mathbb{R}$ of a stochastic process from a bounded domain $Ω\subseteq\mathbb{R}^d$, we study elliptic Dirichlet boundary value problems (BVPs) using boundary-enforced Physics-Informed Neural Networks (PINNs), in which the Dirichlet condition is imposed exactly by multiplying the network output with a predefined distance-to-boundary approximation $ρ$. Combining approximation-theoretic and statistical-learning arguments for Rectified Quadratic Unit (ReQU) and hyperbolic tangent (tanh) networks, we derive a priori error bounds that make explicit the dependence on $ρ$. In particular, we show that exact boundary enforcement alone is not enough for $H^2(Ω)$ error bounds, and that a sufficient and essentially necessary condition is for $ρ$ to be a smooth distance approximation $\textit{normalized to first order}$, of the kind constructed in arXiv:2104.08426 [math.NA]. We thereby identify this subclass of $\textit{boundary-adapted}$ PINNs as the appropriate neural network ansatz for solving Dirichlet BVPs. Numerical experiments support the theory, showing that appropriate choices of $ρ$ improve accuracy and convergence, while poorly chosen distance functions can substantially degrade the solution. Our proof also yields new VC-dimension bounds for hypothesis spaces of higher-order derivatives of ReQU and tanh networks, together with new approximation bounds for shallow ReQU networks in higher-order Sobolev norms, all of which are of important independent interest.

Refinement operators generate many functions used in wavelet constructions, subdivision schemes, and geometric modeling. Their finite iterates can develop rapidly increasing numbers of linear pieces, making them a natural test case for the expressive power of deep neural networks. Earlier work showed that, for scalar binary refinement with a finitely supported mask, every compactly supported continuous piecewise linear seed has finite refinement iterates that admit exact ReLU realizations of fixed width and depth growing linearly with the number of refinement steps. The present paper gives a new construction of this known theorem. The difficulty is that the refinement cascade is driven by discontinuous binary digit choices, whereas ReLU networks produce continuous piecewise linear maps. We represent the residual dynamics on a polygonal model of the circle and describe each residual position in two overlapping coordinate systems, one ordinary and one shifted by one half. Their discontinuities occur at different points. The network switches between the two descriptions only where both are valid and the corresponding fixed linear cascade updates agree, so the switch is exact and requires no multiplication by a variable selector. The construction also gives exact readout of every continuous piecewise linear circle function satisfying the natural endpoint compatibility condition. Localized seeds are handled by a two-pass network, and translation covariance, finite decomposition, and gluing extend the result to arbitrary compactly supported continuous piecewise linear seeds in a preserved support window.

In the context of global warming, extreme events have become more frequent and intense, making their trustworthy detection and forecasting more important than ever. Yet, atmospheric observations lack sufficient spatial resolution, motivating atmospheric data downscaling as a way to reconstruct high-resolution data from coarse observations. This task is now being formulated as a super-resolution (SR) problem with machine learning methods featuring high efficiency. Nevertheless, it remains unclear whether the super-resolved atmospheric data still satisfies fundamental physics governing the Earth system, raising concerns about their trustworthiness in climate-related applications. In this work, we address this challenge by constraining SR models to respect hydrostatic primitive equations that represent multivariate atmospheric physics. First, we propose a Physics-Informed Super-Resolution (PISR) method involving multi-scale physics-informed objectives based on primitive equations. PISR favors the SR outputs to respect these equations and therefore naturally encodes inter-variable relationships. In addition, we propose a metric called Normalized Physical Consistency (NPC) derived from said primitive equations to measure the physical consistency of super-resolved data. Experiments on ERA5, CERRA, and COSMO demonstrate that PISR enhances the reconstruction fidelity by improving physical consistency, SR accuracy, and downstream detection of extreme events, as demonstrated by case studies in heatwaves and extreme winds.

We investigate whether a pretrained generative image-editing model can provide a common interface for numerical simulation. Physical inputs and solutions are rendered as images, while scalar quantities such as material properties, diffusivity, and loading parameters enter through lightweight adapters. Using established numerical and analytic solvers for supervision, we apply the same architecture and training protocol to heterogeneous elliptic equations, forced heat and Burgers evolution, complex Ginzburg-Landau dynamics, two-dimensional Navier-Stokes prediction, potential flow, elasticity, eikonal travel time, phase-field fracture, and entropic optimal transport. The results show that a pretrained image model can represent diverse static and time-dependent physical mappings, including unstable and shock-like behavior, when each task is expressed through a suitable visual encoding. This work is a capability study rather than an attempt to surpass specialized solvers. It also identifies fundamental constraints: image and latent representations complicate numerical range selection and direct enforcement of governing equations or invariants, while a failed Kuramoto-Sivashinsky experiment indicates that representation errors prevent meaningful long-horizon simulation of chaotic systems.

Accurately solving partial differential equations (PDEs) on arbitrary geometries and a variety of meshes is an important task in science and engineering applications. In this paper, we propose Adaptive Mamba Neural Operators (AMO), which integrates reproducing kernels for state-space models (SSMs) rather than the kernel integral formulation of SSMs. This is achieved by constructing Takenaka-Malmquist systems for the PDEs. AMO offers new representations that align well with the adaptive Fourier decomposition (AFD) theory and can approximate the solution manifold of PDEs on a wide range of geometries and meshes. In several challenging benchmark PDE problems in the fields of fluid physics, solid physics, and finance on point clouds, structured meshes, regular grids, and irregular domains, AMO consistently outperforms state-of-the-art solvers in terms of relative $L^2$ error. Overall, this work presents a new paradigm for designing explainable neural operator frameworks.

Physics-Informed Neural Networks (PINNs) solve PDEs by incorporating physical constraints into neural-network training, but large-scale problems are limited by automatic-differentiation memory overhead and inefficient execution of grid-based PDE operators. We present FlashPDE, a drop-in fused operator library for grid-based scientific machine learning. FlashPDE replaces fragmented PyTorch finite-difference execution with differentiable Triton kernels. Each operator integrates fused stencil evaluation, an analytic discrete-adjoint backward pass, and boundary-gradient correction within a unified PyTorch autograd Function interface. The library provides 14 differentiable PDE operators covering 17 configurations across 1D--3D elliptic, parabolic, and Navier--Stokes systems, while remaining independent of neural architectures and training strategies. Experiments on an NVIDIA A100 GPU show that FlashPDE reduces peak memory usage by up to 37.0x compared with coordinate-based automatic differentiation and reduces CUDA kernel launches by up to 3.5x compared with eager PyTorch finite-difference implementations. Across six representative PDE benchmarks, FlashPDE achieves up to 2.30x end-to-end time-to-solution speedup and up to 19.2x kernel-level acceleration while maintaining numerical agreement with PyTorch finite-difference references. FlashPDE provides a hardware-efficient execution layer that bridges differentiable PDE solvers and GPU-optimized numerical computation within the PyTorch ecosystem.

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.

A trained flow or diffusion model is usually run with only a handful of solver steps, and the integration error this leaves behind is unevenly distributed across the image. We ask where that error is injected and how it reaches the endpoint, and answer with a signed source-and-transport accounting of few-step integration error, tested to first order. A perturbation experiment on five models at 256^2 resolution shows the learned dynamics spread local disturbances widely: near the start of sampling, under 10% of the summed endpoint response remains at the source. Signed one-step truncation residuals, propagated through the model's own linearized dynamics, reconstruct much of the endpoint error's direction and regional structure (cosine 0.81-0.87), and a region's error owes more to what arrives from elsewhere than to its own injection. Structure-destroying nulls, with protocols frozen before evaluation, locate what carries the account: randomizing contribution signs halves it, and reassigning which region receives each contribution, with content, norms, and signs intact, destroys it entirely. Where the injections land is readable from the model itself. The variation of its velocity or prediction field along the trajectory, a structure that emerges during training, predicts the final per-region gap (within-image rho of 0.57-0.70 on fine trajectories, weaker from the cheap solve alone). The prediction is partial because endpoint error depends not only on injected magnitude but on its sign, timing, and transport through the learned dynamics. A training penalty on the injected variation lowers few-step error, so the structure is one a model can be trained to change.

Higher-order couplings enhance the expressive power of hypergraph neural networks (HGNNs), but they also intensify representation collapse in deep propagation due to strong multi-way feature mixing. This work investigates hypergraph oversmoothing from a dynamical-systems perspective and develops a reaction--diffusion framework for depth-resistant hypergraph learning. By defining hypergraph gradient and divergence operators, we interpret message passing as an incidence-level diffusion process. The analysis of pure diffusion shows that its continuous semiflow exponentially contracts the null-mode-free component of node representations and drives the Dirichlet energy to zero, revealing hypergraph oversmoothing as an intrinsic transverse-energy dissipation phenomenon. Motivated by this analysis, we propose Hypergraph Neural Reaction--Diffusion (HNRD), which introduces a reaction mechanism acting on the transverse component to compensate diffusion-induced dissipation and stabilize discriminative variations. We establish global well-posedness of the proposed dynamics and prove that the null-mode-free Dirichlet energy remains bounded away from zero. A forward-Euler discretization provides a practical HNRD layer with a stability condition for deep propagation. Experiments on benchmark and synthetic heterophilic hypergraphs demonstrate that HNRD consistently improves over representative hypergraph baselines. Depth, robustness, and efficiency analyses further show that HNRD preserves stable performance and nonzero Dirichlet energy under deep propagation and perturbations. These results provide a principled dynamical framework for designing deep hypergraph architectures that maintain higher-order expressiveness without representation collapse.

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.

We develop a non-asymptotic approximation, sampling, and finite-iteration optimization theory for variational physics-informed approximation of uniformly monotone nonlinear multiscale elliptic equations. For boundary-compatible neural feature classes, the population error splits into approximation, empirical quadrature, and projected-gradient terms, with all non-approximation constants uniform in the microscopic scale $\varepsilon$. Assuming a quantitative corrected $H^1$-estimate, a two-scale state class yields $$\mathcal A_m^\varepsilon \le C\bigl(\varepsilon+Φ_{0,m_0}^2+Φ_{1,m_1}^2\bigr)$$ in arbitrary dimension. We further introduce a convex primal-dual physics loss whose population value is a computable upper certificate for the state error. With additional flux-corrector regularity, a divergence-compatible two-scale flux class gives a certified state-flux bound combining $O(\varepsilon)$ approximation, state and flux feature errors, empirical sampling error, and an $O(K^{-1})$ optimization term. In contrast, for general periodic nonlinear fluxes satisfying a natural nondegeneracy condition, the empirical Rademacher complexities of strong-residual and squared-residual classes are bounded below by constant multiples of $(\varepsilon\sqrt N)^{-1}$ and $(\varepsilon^2\sqrt N)^{-1}$, respectively. These optimizer-independent lower bounds hold in every spatial dimension. Numerical experiments confirm the predicted $\varepsilon$- and $N$-scalings for nonlinear fluxes in $d=1,2,3$, validate every computed primal-dual certificate, and show that corrector-enriched classes substantially reduce energy and $H^1$ errors as the microscopic scale is refined.

Physics-informed neural networks (PINNs) are unusually sensitive to interacting choices of architecture, activation, loss weighting, collocation, optimization, and constraint enforcement. Large language models (LLMs) can propose these choices, but independent recommendations do not accumulate experience from previously trained PINNs. We propose a closed-loop evolutionary algorithm that guides an LLM to generate complete, executable PINN configurations across generations, using measured training outcomes to determine subsequent search decisions. The algorithm maintains an evaluated population and lineage, applies parent-conditioned mutation and crossover, preserves elite and diverse solutions, rejects effective duplicates, and converts parent-relative successes and failures into the next-generation context supplied to the LLM. Every proposed configuration is executed directly under an exact optimizer-step budget. On a one-dimensional multiscale wave equation, two independent ten-generation runs trained 60 PINNs for 600,000 optimizer steps. In both runs, the best configuration appeared in the final generation, with best mean-squared error reduced by 2.97% and 95.38% relative to the initial population. The stronger run validated residual connections and increased depth on separate branches, combined them in a later generation, and then refined width and collocation density. It also revealed that low solution error can coexist with a high PDE residual. These results demonstrate the feasibility of evolutionary-algorithm-guided LLMs for PINN design on a controlled PDE while motivating broader, physics-aware evaluation.

Unadjusted samplers such as unadjusted Hamiltonian Monte Carlo and underdamped Langevin are well-known to be biased. Metropolis--Hastings adjustment has been conventionally incorporated into Hamiltonian Monte Carlo to eliminate the bias. However, this adjustment can significantly increase the iteration complexity due to the small step size required for reasonable Metropolis acceptance rates. In this work, we extend the \emph{delocalization of bias} phenomenon, previously established for the overdamped Langevin algorithm, to these two unadjusted algorithms. We show that to control the $W_2$ bias of any $K$-dimensional marginal of a high-dimensional distribution, $O(\sqrt{K})$ integration steps suffice up to $\log d$ terms, assuming either weak or sparse interactions among variables. The discrete-time integrators here introduce technical difficulties beyond those of the overdamped setting, which we address through a broadly applicable matrix-polynomial framework that characterizes their propagators. Our result for the underdamped Langevin algorithm is valid for all large friction parameters, implying that the Leimkuhler-Matthews integrator for the overdamped Langevin dynamics also exhibits delocalization of bias.

Estimating spatially heterogeneous elastic properties from low-resolution displacement measurements is a severely ill-posed inverse elasticity problem because low resolution obscures spatial details needed to distinguish heterogeneous property variations, and small measurement perturbations or fitting errors are amplified through inverse estimation. Existing inverse methods often rely on high-fidelity observations and manually prespecified loss weights, limiting their adaptability and making them sensitive to noise and resolution degradation. We propose a Probabilistic Inverse Elasticity Physics-Informed Neural Network (PIE-PINN) framework for robust estimation of Young's modulus and Poisson's ratio from noisy, low-resolution displacement data. PIE-PINN models displacement observation, strain-discrepancy, and equilibrium residuals using Laplace distributions within a unified probabilistic model. To improve robustness, the framework combines a B-spline-guided displacement network with a hierarchical half-Cauchy model for displacement residual scales. The B-spline provides a smooth global representation of the displacement field, while the neural network correction captures local variations. The hierarchical scale model adaptively downweights severe displacement fitting errors, enabling more robust recovery of the latent mean displacement field. An alternating maximum-likelihood training strategy updates the mean through weighted residual minimization and updates the scales to adjust the loss weights. Systematic case studies across varying noise levels and observation resolutions demonstrate the robustness of PIE-PINN.

Interpreting optimizers as gradient-flow discretizations has motivated applying higher-order Runge-Kutta (RK) integrators to neural networks. We build a representative Adam variant (Bogacki-Shampine 3(2) RK pair, FSAL reuse, local-error step control) and evaluate it under a strict compute-matched protocol giving every method the same gradient-evaluation budget - an accounting this literature rarely enforces. Under it the RK variant loses to plain Adam on training loss in both minibatch and full-batch (RK's best-case) training. Instrumenting it shows the "adaptivity" is illusory: normalized error stays far below tolerance, the step size pins at its growth cap from step one (98-100 percent of steps), and no rtol x hmax x h0 setting makes it act; tolerances spanning 100x give bit-identical trajectories. The method is exactly fixed-step Adam with an averaged gradient at 3-4x cost. Repairing it (true reject branch; error on the applied map) reverses the full-batch result - about 40x lower training loss than tuned Adam - and a fixed-step control isolates adaptivity (an emergent warmup-and-growth schedule) as the mechanism. But the gain is fragile to the initial step size and does not reach test accuracy. A pre-registered follow-up rules out the obvious explanations: deeper minimization does not overfit, and an explicit temperature knob only hurts - leaving a trajectory effect, the controller selecting a minimum generalizing 1.3-3.4 points below first-order descent at equal depth. An n=10 study confirms one secondary effect: gradient averaging is a genuine implicit regularizer, beating lr-matched Adam and AdamW on 10/10 seeds - yet RMSprop and NAdam match or beat it at a third the per-step cost. Higher-order adaptive integration buys deeper deterministic minimization and a small regularization effect, but nothing a cheaper, well-tuned first-order baseline does not already provide.

Physics-informed neural networks (PINNs) have had a broad research impact in modeling domains governed by partial differential equations (PDE). However, PINNs have been shown to perform poorly, sometimes even converging to trivial solutions, in challenging PDE domains, or when generalizing to unseen but related PDE domains. Previously proposed solutions detail hyperparameter tuning to reduce loss imbalance between data-driven and physics guided losses, curriculum learning based training strategies, or dynamic re-sampling of hard collocation points. These methods face certain pitfalls: hyperparameter tuning is expensive, designing a training curriculum is ambiguous in multi-parameter PDE settings, and dynamic resampling still fails in complex PDE settings. Complementary to this line of thinking, we believe the initial PINN network weights also play a crucial role in the emergence of catastrophic failures during training, yet the effect of PINN weight initialization has been surprisingly under-investigated. To this end, we propose a framework for Learned Initialization via Gated Layerwise Optimization (LIGO-PINN) to overcome PINN convergence failures. Through rigorous evaluation on 1D and 2D PDE domains, including a challenging 2D fluid dynamics setting, we demonstrate that our methodology outperforms state-of-the-art methods designed to alleviate PINN failures, achieving a 91.5% average performance improvement across six baselines and 81% over the strongest baseline. We also verify that LIGO-PINN generalizes to 3D unstructured domains. Finally, we analyze training dynamics across all three PDE domains to explain both LIGO-PINN's improvement and the convergence failure of traditional PINNs. Code: https://github.com/scailab/ligo-pinn Keywords: Machine Learning, Physics-Informed Neural Networks, Deep Learning, PDE Modeling

We develop a convergent scheme to train neural networks involving analytic activation functions based on gradient flows. Convergence properties are guaranteed by Lojasiewicz theory. The main advantage of this approach is its simplicity of implementation. The coefficients of the network are approximated by solving a system of ordinary differential equations. We test the method by constructing residual neural network approximations of solutions of parametric problems. The dependence of the solutions of simple ordinary differential equations on a few parameters is correctly reproduced. The solutions of inverse problems involving wave constraints which depend on a few parameters can be reasonably approximated, even in regions in which the problem is severely ill posed.

For low-dimensional problems ($d\leq3$), spectral methods can achieve exceptionally high accuracy. For middle-dimensional problems ($4 \leq d \lesssim 10$), spectral methods remain feasible through specific techniques such as sparse grids or hyperbolic cross. However, for high-dimensional problems ($d\gg 10$), spectral methods suffer frome the curse of dimensionality. Physics-informed neural networks (PINNs) have emerged as a promising approach to overcome this challenge, offering scalability to high dimensions, but often suffer from limited accuracy and efficiency. Recently proposed spectral-informed neural networks (SINNs) combine spectral methods with PINNs, operating directly in the spectral domain to avoid spatial derivative computations and to reduce memory consumption. In this work, we introduce Modified SINNs, which integrate coefficient decay scaling and basis embeddings motivated by harmonic analysis to enhance accuracy in high-dimensional problems and enable accurate approximation of unknown spectral coefficients. Numerical experiments on steady and time-dependent partial differential equations demonstrate that Modified SINNs outperform sparse grid spectral methods on middle-dimensional problems with incomplete spectral information and achieve superior accuracy compared to PINNs on high-dimensional problems.

Multiscale problems are notoriously difficult to tackle using traditional numerical methods, as accurately resolving fine-scale features often requires prohibitively fine discretizations. This challenge is particularly pronounced in applications such as materials science, fluid dynamics, climate systems, chemical processes, and complex networks. Recent neural operator models provide a promising data-driven alternative, but frequently struggle to achieve sufficient accuracy in the presence of strongly heterogeneous or oscillatory coefficients. In this work, we focus on the solution of elliptic PDEs with rough and high-contrast inputs. The Localized Orthogonal Decomposition (LOD) method is a well-established numerical approach for such problems, but it comes, however, at a substantial computational cost. We investigate the performance of popular neural operator architectures on these challenging multiscale problems and identify key limitations in their ability to resolve fine-scale structure. To overcome these challenges, we introduce LOD-MSNO (LOD-Multiscale Neural Operator), a hybrid approach that leverages the LOD method as a strong multiscale prior by building on its representation of the solution as a linear combination of problem-adapted basis functions, while addressing its main computational bottlenecks through data-driven operator learning. We further provide theoretical error estimates for the proposed coefficient-learning framework. Lastly, we demonstrate the potential of our proposed method to outperform current neural operator baselines in terms of accuracy for challenging multiscale inputs, while mainly retaining the computational efficiency of neural operator models.

Parachutes are widely utilized in aviation, aerospace and lifesaving missions. As the initial stage of parachute deployment, suspension line extraction and straightening directly determines the smooth implementation of subsequent inflation procedures. This ultra-short process involves intricate dynamic load variations. Most existing studies adopt numerical integration of ordinary differential equations to calculate line tension, yet this method fails to rapidly acquire tension values at arbitrary positions along suspension lines. This paper develops a physics-informed neural network (PINN) algorithm for tension prediction during line extraction and straightening, which outperforms traditional integration methods in both computational efficiency and numerical accuracy. Furthermore, the regulatory law of binding tape parameters on line dynamic tension is investigated. Comparative validations against flight test data and conventional numerical results verify the reliability and effectiveness of the proposed PINN framework.

In this paper, a parametric physics-informed neural network for solving the heterogeneous soil thermal problem with borehole heat exchangers (BHEs) as singular sources is developed. There are three novel features in the present framework; namely, (i) the singularity is naturally removed by using analytical line source models; (ii) using the explicit formulation for gradient thermal conductivity enables physics-informed learning of the parametrization featuring the conductivity; (iii) the learned correction is utilized as an efficient universal corrector via superposition principles. We first introduce the decomposition of the temperature change and transform the approximation of the entire heterogeneous response to the correction compensating the difference between the practical solution and idealized homogeneous approximation. In such a way, the delta function singularity is excluded and the bulk heat transfer is captured for the sake of facilitating the effective training of the neural network. The original problem is then reformulated as a governing correction diffusion or advection-diffusion equation subject to a homogeneous initial condition. The linearly varying thermal conductivity is used to model the soil heterogeneity. We propose a physics-informed neural network to approximate a universal corrector with respect to a single borehole with unit heat extraction rate. As a result, the network is trained by minimizing the physics-informed and data-anchored loss function that is evaluated for sampled conductivity parameters on adaptively selected training points. In addition, we include the location indicator function regarding the source as a feature input of network and find that it helps the network to process the local information. We perform numerical tests to exhibit the effectiveness of the proposed method based on three different analytical models.

Flow matching trains a neural network to regress the conditional velocity along a linear interpolant between noise and data, and the number of network evaluations~(NFE) sets the cost of sampling. The straight-line interpolant carries an implicit choice: the sample moves at constant speed throughout the trajectory. We relax this choice and introduce Velocity Scheduled Flow Matching~(VSFM), which replaces the conditional target $x_1 - x_0$ with $v(t)(x_1 - x_0)$ for any nonnegative profile $v:[0,1]\to\mathbb{R}_{\geq 0}$ satisfying $\int_0^1 v\,dt = 1$. We study six polynomial profiles drawn from motion planning. The first use of VSFM is at inference time: a pretrained linear flow-matching model can be sampled under any admissible profile by integrating its ODE on a non-uniform $τ$-schedule, with no retraining and no additional computation; on CIFAR-10 this lowers FID by up to $19.8\%$. Training from scratch under a braking profile gives a further reduction of $17.4\%$ at $4$~NFE. Both gains follow from the local truncation error of the Euler integrator on the induced grid.

Physics-Informed Neural Networks (PINNs) provide a meshless approach for solving partial differential equations (PDEs), but suffer severe degradation in stiff and shock-dominated problems, where small PDE residuals can correspond to globally inaccurate solutions. We show these failures are multi-causal, arising from the concurrent interplay of (i) spectral bias against sharp features, (ii) imbalanced multi-term optimization and loss-weight collapse, (iii) violation of temporal causality, and (iv) under-resolved collocation. We present SPARC-Net, a unified architecture and training framework that jointly addresses all four pathologies. SPARC-Net leverages an adaptive multi-scale spectral encoder with a learnable spectral gate, a gated residual backbone, adaptive activations, and a hard-constraint output ansatz that exactly enforces initial and boundary conditions, structurally eliminating loss-weight collapse. Training employs stabilized gradient-norm loss balancing, floored causality-respecting residual weighting, and residual-based adaptive collocation (RAD). Validated against exact analytic and high-order spectral reference solutions across four canonical benchmarks -- viscous Burgers', Allen-Cahn, convection (beta=30), and reaction -- SPARC-Net yields substantial improvements over vanilla PINNs: relative L2 error drops from 1.47e-1 to 1.14e-1 on Burgers' (22% reduction), 9.93e-1 to 5.78e-2 on Allen-Cahn (94% reduction), and 9.82e-1 to 3.54e-3 on reaction (100% reduction). A characteristic-coordinate encoder for hyperbolic transport further reduces convection error from 5.14e-1 to 9.88e-5 (100% reduction). We report five-seed mean +/- standard deviation errors, Wilcoxon significance tests, full ablation studies, hyperparameter sensitivities, an extension to the 2D heat equation, and comparisons against parameter-matched baselines.

Physics-informed neural networks (PINNs) have shown promise for solving partial differential equations (PDEs); however, their synchronous optimization treats residuals of different regions and constraints equally, which is inconsistent with the progressive "from source to response" physical information propagation path, degrading training stability and accuracy. Existing causal training methods focus mainly on the temporal dimension, lacking a unified characterization of spatial and boundary dimensions. To address this, we define a unified class of training priorities according to the physical information propagation path: premise regions should be learned before dependent regions; temporal, spatial, and boundary priorities are instances of this principle. Using neural tangent kernel (NTK) dynamics, we theoretically analyze why standard PINNs do not obey this priority: their residual convergence order is governed by the NTK spectrum and is independent of the propagation path. Accordingly, we propose a unified multi-dimensional priority-constraint framework that partitions the domain along the propagation path and constructs negative-exponential residual weights, converting the physical propagation order into a training priority. For cases with coexisting priorities, we introduce a directional compatibility coefficient to clarify that "orthogonal directions can be coupled multiplicatively in synergy, whereas coaxial opposite directions cannot." Benchmark cases show that this method consistently improves the convergence behavior and prediction accuracy of PINNs on problems with clear propagation paths or constraint-dominated structures, without modifying the network architecture and with controllable additional computational cost.

Most neural partial differential equation (PDE) surrogates learn how fields evolve after a grid has already been chosen. However, before any operator is applied, the grid has already determined how modeling capacity is allocated across space, resolution, and spectral bandwidth. We argue that this hidden design choice should itself be learnable, leading to a question different from standard operator learning: can a surrogate learn where resolution should exist before predicting field evolution? We formulate adaptive discretization as a physics-constrained conditional generation problem over valid mesh displacements. The success of diffusion models in PDE field prediction suggests their potential for learning adaptive discretizations under similar structured constraints. This leads to a two-stage diffusion framework: Stage 1 learns an r-adaptive displacement mesh conditioned on the observed dynamics, while Stage 2 predicts the solution evolution from the mesh-informed representation. The mesh generator is regularized by physics-aware proxy channels, geometric validity constraints, and local spectral concentration so that adaptation remains physically interpretable and numerically legal. Across five PDE regimes, the results show that diffusion-based learned discretization is competitive with adaptive-mesh and reduced-order baselines, with particularly strong gains in regimes where fixed or handcrafted allocation is insufficient. The main conclusion is not that there exists a universal optimal mesh rule, but that discretization should be learned in a regime-dependent manner: different spatial and spectral structures favor different allocation behaviors. This reframes adaptive meshing for neural PDE solvers from a solver-specific heuristic into a generative representation-learning problem.

Numerical integration is a cornerstone of various scientific computing applications, such as engineering simulations and model evidence computations in probabilistic machine learning. Bayesian Quadrature uses Gaussian process surrogates that explicitly encode structural assumptions about the integrand to obtain integral estimates with quantified uncertainty. These surrogates are predominantly based on stationary covariance functions, which results in model misspecification for integrands exhibiting nonstationary behavior. We tackle this issue through an adaptively growing, tree-based partition of the integration domain into local stationary models. Our method recombines the local integral estimates through a hierarchy of GP conditioning that reintroduces cross-subdomain correlations, while model selection criteria control the tree growth to avoid unnecessary partitioning. The resulting algorithm is simple, requires no MCMC, and adapts its evaluation budget to local integrand complexity. On benchmark integration problems and a model evidence computation for an epidemiological model, Hierarchical Bayesian Quadrature achieves substantial gains over standard Bayesian Quadrature on nonstationary integrands while matching its performance on stationary ones.

Partial differential equations (PDEs) are foundational to modeling in science and engineering, but constructing reliable numerical solvers remains labor-intensive, demanding expert knowledge of discretization schemes, stability conditions, and boundary treatments. Recent work has begun to frame PDE solving as a code-generation task for large language models (LLMs), yet existing approaches operate primarily at inference time: relying on prompting, debugging, self-refinement, and test-time scaling rather than adapting the model itself. In parallel, reinforcement learning with verifiable rewards has emerged as a post-training paradigm for code and math reasoning, but its verifiers are typically binary: a compiler runs, or a test passes. Such signals discard the graded structure of scientific correctness, where two solvers may both execute and yet differ in solution accuracy by orders of magnitude. In this work, we introduce RLVP: Reinforcement Learning with Verifiable Physics, an RL post-training framework for multi-PDE solver code generation. RLVP addresses this verifiability gap with a hybrid verifier: hard program-validity checks ensure executability, while continuous physics rewards score function-space accuracy and PDE-residual consistency. A single policy is post-trained across diverse PDE families spanning hyperbolic, parabolic, elliptic, and incompressible-flow systems. RLVP improves over both pre-trained and supervised-only baselines on PDE benchmarks, and shows zero-shot improvement transfer to held-out PDEs. We show that a smaller LLM post-trained with RLVP can outperform prompting a frontier model on in-distribution PDE solver generation. The trained policy shows evidence of compositionality in numerical motifs: it recombines stencils, time-stepping schemes, and boundary-handling primitives learned from the PDEs used in training into generated solvers for unseen PDE problems.

Offline-trained surrogates for Inertial Confinement Fusion (ICF) suffer a well-known failure mode that iterative optimizers drive inputs into out-of-distribution (OOD) regions where predictions become unreliable. Here we present Co4ICF, a co-evolving framework that couples a physics-informed surrogate with a PPO-based pulse optimizer. The surrogate is iteratively fine-tuned on policy-induced trajectories, correcting extrapolation errors as the optimizer shifts the input distribution; the optimizer queries this evolving surrogate as a fast environment. In the 1D MULTI environment, Co4ICF achieves 146.1% normalized yield based on current laser design baseline; as a post-hoc cross-fidelity check, the optimized pulse further attains 246.9% normalized yield when directly evaluated in 2D-MULTI without any 2D training or fine-tuning. Budget-matched ablations support that the gains are not explained solely by additional simulation data and are consistent with the co-evolving mechanism playing a key role. We release a large-scale MULTI-IFE simulation dataset to support future benchmarking.

In radiation transfer simulations, an M1 method achieves substantial computational savings by replacing the full angular transport equation with a low-order moment system. Because this reduced system is not closed, a closure model is required to represent the unknown higher-order moments using lower-order moments. While machine learning (ML)-based closures can improve accuracy beyond classical analytic closures, unconstrained learned closures may produce non-real characteristic speeds and consequently cause numerical solver breakdown. To guarantee real eigenvalues of the Jacobian associated with ML closures, we propose a hyperbolic neural closure for the M1 radiative transfer system. Rather than directly predicting closure terms, we parameterize the Jacobian through two neural networks: (i) a symmetric matrix network and (ii) a strictly convex entropy network whose Hessian defines a positive definite symmetrizer. These components are combined to yield a Jacobian that is similar to a symmetric matrix, thereby ensuring real eigenvalues. The closure is then reconstructed by numerical integration of the learned Jacobian field along a prescribed integration path. Numerical experiments show that the proposed closure not only achieves higher closure accuracy than classical analytic closures, but also improves solution accuracy and remains stable in discontinuous Galerkin simulations for radiative transfer problems.

The Neural Tangent Kernel (NTK) is one powerful tool for analyzing the training dynamics of neural networks in the over-parameterized regime. Recently, the theoretical framework has been extended to physics-informed neural networks (PINNs) for solving linear PDEs, one highly popular class of neural PDE solvers. In the analysis, the positivity of the associated NTK plays a fundamental role. However, establishing the positivity of the NTK for PINNs is highly challenging, due to the presence of multiple differential operators. In this work, we propose a new theoretical framework, called Differential Neural Tangent Kernel (DNTK), for analyzing PINNs through the lens of the NTK, and establish the positivity of the infinite width DNTK for both shallow and deep neural networks for a wide class of activation functions, including RePU and smooth but non-polynomial activations, for all linear differential operators. These theoretical results lay the foundation for the analysis of gradient type algorithms for training PINNs.

Accurate dynamics modeling of Brushless DC (BLDC) motors is fundamental to high-performance robotic joint control. This paper presents a Physics-Informed Neural Network (PINN) with a deep residual (ResNet) backbone that learns a continuous-time surrogate of the full six-state BLDC motor dynamics. Given simulation time, applied three-phase voltages, and excitation parameters as inputs, the network directly predicts all motor state variables -- rotor angle, angular velocity, three-phase currents, and winding temperature -- while simultaneously satisfying the governing electromechanical and thermal ODEs through a composite physics-data loss. A curriculum scheduling strategy gradually activates the physics penalty to prevent premature convergence. Training runs are completed in under two minutes on a standard CPU. Crucially, once trained, PINN inference achieves latencies of 0.1--22, mu s per query, up to 118x faster than conventional ODE solvers, making it suitable for real-time observer and control applications.

Score matching controls average error under the forward marginals, but a discretized reverse-time sampler evaluates the learned score along its own trajectory. We show that small forward-marginal error does not guarantee numerical stability. We construct a single smooth score field with arbitrarily small forward-marginal $L^2$ error. The learned reverse-time process is nonexplosive, has moments of every order, and can be arbitrarily close to the exact reverse-time process in path-space total variation. Yet its Euler--Maruyama discretizations converge in probability while every positive moment diverges. Thus weak convergence can hold even though every Wasserstein distance $W_p$, $p\ge1$, diverges. The same failure can occur within one fixed finite neural architecture. We construct a family of bounded, globally Lipschitz denoisers for which both the forward-marginal error and the path-space total variation distance tend to zero, while their Euler--Maruyama endpoints diverge in every $W_p$. For compactly supported data, we also give a simple positive result. Projecting the learned denoiser onto a known bounded closed convex set containing the support preserves pointwise accuracy, gives grid-uniform moment bounds, and yields Wasserstein convergence under mild local regularity. Experiments with a small fixed DiT-style network show large growth along rare numerical trajectories and its suppression by denoiser projection, while overall trajectory errors remain small.

While neural PDE solvers have demonstrated significant potential for accelerating engineering simulations, existing architectures remain constrained by high memory consumption and the single node bottleneck, where the maximum processable mesh resolution is strictly limited by the VRAM of a single compute unit. To address these challenges, we propose PGD-NO, a neural operator with Precomputed Geometry Decomposition, that relocates the computational overhead of geometric encoding to a deterministic pre-computation phase. By utilizing an iterative geometry decomposition algorithm to extract geometry tokens, our model decouples feature extraction from solution querying. This architecture enables linear memory scalability, allowing high fidelity learning on meshes exceeding 10 million nodes, a scale where existing architectures typically encounter memory exhaustion. PGD-NO demonstrates competitive predictive accuracy across diverse industrial benchmarks and provides intrinsic interpretability through attention mechanisms. By effectively overcoming traditional mesh-size constraints, PGD-NO offers a robust and efficient solution for the next generation of large-scale, high-fidelity industrial design applications.

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 rank1 to rank7 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 neural networks (PINNs) provide a promising framework for solving partial differential equations while embedding the underlying physical laws directly into the learning process. This study presents a PINN-based framework for modeling transient elastodynamic wave propagation in bimaterial systems governed by the axisymmetric equations of linear elasticity. A steel-aluminum specimen representative of a Split Hopkinson Pressure Bar configuration is considered, and the governing elastodynamic equations, together with the corresponding initial, boundary, and interface conditions, are incorporated directly into the network through a physics-informed loss function. High-fidelity finite-element simulations performed using ANSYS Workbench Explicit Dynamics are used for validation and as supplementary data constraints during training. The proposed framework accurately predicts wave transmission and reflection across the bimaterial interface and reproduces axial and radial displacement histories, face-averaged responses, and the dominant stress and strain evolution with close agreement to the finite-element solutions. The trained network further demonstrates the ability to predict wave responses at previously unseen time instants and for modified material properties without requiring additional finite-element simulations, providing a continuous surrogate model for elastodynamic analysis. Mesh-sensitivity studies confirm numerical robustness, while additional material combinations demonstrate the generality of the proposed methodology. The results show that integrating physics-informed neural networks with explicit finite-element analysis provides an accurate and computationally efficient framework for elastodynamic wave propagation in heterogeneous solids, offering an effective surrogate modeling approach for high-rate solid mechanics and impact engineering applications.

We introduce a physics-informed framework for learning finite-dimensional embeddings of solution families of partial differential equations. The method uses a multihead Physics-Informed Neural Network in which a shared body learns a latent manifold representing the solution space, while linear heads reconstruct individual solutions associated with different initial conditions. A head-orthogonalization penalty removes degeneracies in the latent representation and stabilizes the principal-component spectrum across training realizations. Because the initial condition is built into the network output by construction, these principal components measure the additional variability the network learns on top of the initial profile, not the full solution itself. We apply the method to the one-dimensional viscous Burgers equation, with the heat and wave equations as robustness checks. For a latent dimension $n_b=20$, the learned manifolds exhibit pronounced effective dimensional reduction: for Burgers dynamics, only $2$-$4$ principal components capture about $95\%$ of the latent-space variance, while $4$-$7$ capture about $99\%$, depending on the initial-condition family; the same qualitative compression holds for the heat and wave equations. We also split the wavenumber axis into bands (``Fourier shells'') and measure how much each band contributes to every principal component. The resulting frequency profile is invariant under the change-of-basis freedom that the orthogonalization penalty leaves in the latent space, and is therefore reproducible across independent training runs. More broadly, this establishes the learned spectral profiles and principal components as robust observables of solution-manifold geometry.

We study kernel-based operator learning in a two-stage sampling framework, where an offline kernel regression operator learns a discretized representation of the target operator from input-output pairs and an online kernel reconstruction operator recovers the output function from predicted observations. Our main theoretical contribution is an explicit budget allocation condition relating the number $N$ of training pairs, the number $n$ of input observations, and the output resolution $m$. The condition is derived from a coupled error analysis that interprets the surrogate as a reconstruction from approximate data. This yields a decomposition of the total error into reconstruction and learning contributions that can be analyzed independently. As a consequence, we obtain quantitative scaling laws describing how $N$, $n$, and $m$ must be coupled to guarantee convergence and to balance offline learning and online reconstruction errors. The resulting estimates extend previous analyses of kernel-based operator learning. We further introduce a physics-informed extension that incorporates knowledge of the underlying PDE at evaluation time. Rather than encoding constraints directly into the kernel, we augment the online reconstruction step by penalizing PDE residuals at collocation points. The method requires no retraining for new inputs. Numerical experiments illustrate the theoretical findings and demonstrate the effectiveness of the proposed physics-informed reconstruction strategy.

Multi-Pool Chemical Exchange Saturation Transfer (CEST) MRI provides valuable metabolic information but is clinically limited by long acquisition times. Although sparse sampling reduces scanning time, reconstructing high-resolution Z-spectra from limited data remains an ill-posed inverse problem. Conventional interpolation and generic Implicit Neural Rep-resentations (INRs) often lack physical constraints, leading to spectral artifacts and physically invalid signals. To address this, we propose Lorentz Encoding (LE), a physics-informed framework that formulates CEST reconstruction as a self-supervised reconstruction task via implicit continuous coordinate learning. Unlike generic positional encodings, LE regularizes the continuous spectral mapping by projecting sparse coordinates into a physically constrained space governed by a combination of parametric Lorentzian profiles with learnable basis functions. This mechanism effectively reduces noise and enforces consistency with physical models. Experiments on in vivo human brain data demonstrate that LE significantly outperforms state-of-the-art methods. Specifically, under a 39-point sampling strategy, LE achieves a PSNR of 57.58 dB and an SSIM of 0.9994. Furthermore, the learned physics-informed encodings form a continuous, geometrically ordered trajectory in the latent space, ensuring accurate quantitative metabo-lite mapping (APT, NOE, MT).

The Minkowski functionals of a field's excursion sets -- area, boundary measure, and Euler characteristic -- describe its level-set morphology; the Euler characteristic is the cheapest handle on topology. We derive smooth Monte-Carlo estimators for all three of a continuous neural field, evaluated at scattered points via the co-area formula and Gauss-Bonnet, using only autodiff: no grid, no complex, no persistence. The estimator is accurate to 1-3% against exact topology in 2D and 3D, and costs about 3 ms per iteration where a persistent-homology (PH) loss on a cubical grid costs 650-1000 ms -- a 250x gap. We establish four design rules without which these losses silently fail: a dense level ladder (invariants are flat in the parameters away from transitions), a $C^2$ backbone (ReLU nets hide curvature in kinks), the full Minkowski vector (Euler characteristic alone is an alternating sum, gamed by debris-hole cancellation; pricing perimeter closes the channel), and sampling-scale coverage. In 2D the vector-valued cap is the only method in a controlled comparison that both repairs topology (3/3 seeds) and preserves fidelity -- uniform smoothing repairs at 11-17x the fidelity cost, and the Euler term alone repairs nothing. In 3D neural-SDF fitting, however, a failure mode we believe general to any sampled soft topology objective appears: gradient descent adversarially hides topological noise below the sampling density, where the estimator is blind -- spurious-feature counts are invariant to 4x more samples, and closing the window needs cubically many points, erasing the cost advantage. A grid-based PH baseline, whose complex is the evaluation resolution, solves the same benchmark ($4/9$ exact; median $b_1$ error 1 vs. ours above $10^4$). The 250x cost of persistence is, at present, the price of having no null space. We release estimators, receipts, and benchmarks.

The AInstein architecture introduced an unsupervised neural method for solving the Riemannian Einstein equations on arbitrary manifolds. This Physics Informed Neural Network approach (PINN) is extended here to Lorentzian signature, validated by recovering the maximally extended Schwarzschild geometry, and tested as novel search method for arbitrary black hole solutions. The topology is built into the architecture by treating $S^{2}$ globally through its standard embedding, such that the network learns an ambient metric on the manifold $\mathbb{R}^{2} \times \mathbb{R}^{3}$, where Penrose coordinates are chosen for $\mathbb{R}^2$ and the metric on $S^{2}$ is obtained by pullback. The architecture is first trained with the objective of recovering the Schwarzschild metric via losses encoding the vacuum Einstein equation, a quadratic Weyl scalar constraint, and the $SO(3)$ symmetry of the resultant metric; directly motivated by the Birkhoff--Jebsen theorem. Following this, the objective is generalised to use the Petrov speciality index, a horizon curvature anchor, and a trapped-surface constraint, to allow search for algebraically general Petrov type I solutions, finding potentially novel general-type Lorentzian Einstein metrics with a genuinely trapped interior.

Physics-informed neural networks (PINNs) often face ill-posed optimization, competing losses, and parameter compensation in partial differential equation (PDE) inverse problems. Transfer learning can reuse source-task representations, but direct fine-tuning may induce negative transfer when source and target physics differ, leading to low field error but inaccurate parameter recovery. To address this issue, we propose Target-Guided Selective Reweighting PINN (TGSR-PINN), a target-evidence-driven representation correction method for PINN inverse transfer learning. TGSR-PINN transfers source network weights and biases but initializes target physical parameters independently. After short target adaptation, it scores neurons using first-order Taylor sensitivity and pre-activation variance on fixed batches. These scores are converted into continuous weak-adaptation signals using a Gaussian mixture model with rank fallback. TGSR-PINN then applies bounded selective soft decay to the corresponding input weight rows and biases without pruning or resetting them. Experiments on a zero-source high-Péclet inflow--outflow problem with nonzero Dirichlet data and an outflow boundary layer, Allen--Cahn to Burgers cross-PDE transfer, and 5%-noise reaction--diffusion inverse problems show that TGSR-PINN improves parameter recovery while maintaining low field error. Ablation studies indicate that neuron target scoring, weak-adaptation estimation, layer protection, and selective soft decay jointly contribute to the observed benefits.

Many real-world systems are organized as networks where spatio-temporal dynamics unfold along connections and not discretely between nodes. Examples include utility networks such as water distribution systems or gas networks, electrical grids, and traffic flow networks. Such systems are naturally modeled as metric graphs, where edges correspond to one-dimensional Euclidean subspaces connected at vertices. Metric graphs are independent of an underlying global Euclidean space, limiting direct application of typical PINNs and operator-learning methods. Especially transport dynamics like advection require a methodology able to capture antisymmetric and long-range dependencies on graphs, which is itself a challenge. We propose a novel physics-informed message passing operator that encodes linear advection on metric graphs as an inductive bias. In the purely advective setting, the operator provably recovers the exact dynamics up to a theoretically derived discretization error without any training. Combined with trainable components like MLPs, our message passing operator extends to realistic advection-reaction dynamics in water distribution systems, where we achieve superior performance compared to baselines and zero-shot generalization across different graph topologies.

We present PDEFlow, an autonomous agentic framework that turns user-level ODE and PDE descriptions into solver-backed neural-operator pipelines. The workflow links problem specification, data generation, operator training, and checkpoint-based inference. A stateful input graph converts multi-turn natural-language input and user edits into validated problem specifications. The data-generation module then samples parameters, solves the configured governing-equation with FEniCSx finite-element backend, and stores the solutions as operator-ready tensors. The training and inference stages use a registry-based interface, allowing different neural operators to be trained and deployed without changing the surrounding pipeline. In the current implementation, we instantiate this interface with a multi-branch Bayesian DeepONet. Experiments on benchmark ODE and PDE tasks show that PDEFlow can construct valid specifications, generate solver-backed datasets, train neural operators across steady and transient problem classes, and provide solver-free predictions from saved checkpoints. The framework is designed for repeatable scientific and engineering workflows where many related physics configurations must be specified, simulated, learned, and queried with minimal manual intervention.

Radio frequency fingerprint identification (RFFI) exploits transmitter-specific hardware imperfections as physicallayer identity cues for Internet of Things (IoT) devices, but deep models often degrade across acquisition environments. In multi-antenna reception, antenna topology and frequencyoffset dynamics structure receiver observations, while capturedependent variation distorts target embeddings and misaligns source-trained decision boundaries. This article proposes physicsinformed structure anchoring with capture-aware prototype calibration (PISA-CAPC) to address both representation and decision mismatches. The two stages separate source representation construction from target decision correction. During source training, PISA organizes antenna tokens through a topology-guided graph, conditions propagation on CFO-derived acquisition dynamics, and applies bounded contextual residual suppression to preserve identity evidence. At deployment, unlabeled capture-aware prototype calibration (U-CAPC) estimates capture-local prototypes and recalibrates target decision scores while keeping the representation and source classifier fixed. Thus, calibration uses neither target labels nor target-domain backbone updates. On a measured WiFi benchmark with four receive antennas and ten transmitters, PISA-CAPC achieves a mean target-domain Macro-F1 of 0.9257 under a balanced transductive setting. Component ablations support complementary roles for topology-guided anchoring, CFO-conditioned modulation, reliability-aware token aggregation, contextual suppression, and capture-aware calibration. These results indicate that physically motivated representation learning can be combined with labelfree decision calibration to improve cross-environment RFFI under the evaluated protocol without changing the deployed backbone.