Partial Differential Equations

We introduce a meshfree exterior calculus (MEEC) for learning structure-preserving descriptions of physics on point clouds, and use it to build MEEC-Net, a data-efficient surrogate that transfers across resolutions, geometries, and physical parameters. MEEC equips an $\varepsilon$-ball graph with virtual node and edge measures via a single sparse Schur complement solve; the resulting complex satisfies discrete conservation exactly, is end-to-end differentiable in the point positions, and exposes a direct geometry-to-physics link without the mesh-generation step required by conventional structure-preserving discretizations. MEEC-Net learns unknown physics as a shared edge-wise flux law in an SO($d$)-invariant local frame, so the same kernel produces compatible fluxes on any point cloud whose features lie in the training range. We prove a solution-error bound that splits into discretization and kernel-approximation terms which is independent of problem geometry, explaining the observed transfer from very few examples. We show that single-solution training transfers to unseen geometries, boundary conditions, and physical parameters. On five canonical PDE benchmarks MEEC-Net achieves 1-2 orders of magnitude lower out-of-distribution error than baseline neural-operator approaches. On the SimJEB structural-bracket benchmark it achieves competitive error while using substantially fewer training geometries.

Physics-informed neural networks (PINNs) provide a flexible framework for solving forward and inverse problems governed by partial differential equations (PDEs), but standard PINN training typically relies on soft penalty formulations that combine PDE residuals, data mismatch, and initial/boundary conditions using manually chosen weights. This often leads to ill-conditioning, sensitivity to loss weights, and poor constraint satisfaction. In this work, we reformulate PINN training as an equality-constrained optimization problem and propose a novel Adaptive Momentum Feedback Linearization Optimization for Hard Constrained PINN (AdamFLIP). The key idea is to view the constraint residuals as the output of a controlled dynamical system and to compute the Lagrange multiplier as a feedback input that locally drives these residuals toward stable linear contraction dynamics. AdamFLIP then applies Adam-style first- and second-moment adaptation to the resulting feedback-linearized Lagrangian gradient, combining principled constraint handling with the scalability and robustness of adaptive neural-network optimization. We test AdamFLIP on a range of benchmark forward and inverse PDE problem, and it consistently outperforms both the standard soft-constrained PINN and state-of-the-art constrained optimizers. Specifically, on the Navier--Stokes equations benchmark, AdamFLIP \textbf{reduces relative $L_2$ error by more than two thirds} for the predicted solution compared to the next best method. Our AdamFLIP framework provides an effective and computationally scalable hard constraint optimization method for PINN training.

Practical diffusion sampling is a numerical approximation problem: under a fixed inference budget, one must simulate a reverse-time ODE or SDE using only a limited number of denoising steps, so discretization error is often the dominant source of error. Existing non-asymptotic analyses provide convergence guarantees, but are typically too loose and too insensitive to diffusion parameters to guide practical design: broad families of schedules receive the same rates, which depend on coarse worst-case quantities such as the dimension or the drift Lipschitz constant. We take a less ambitious but more informative route. In the exact-score setting, we derive first-order asymptotic expansions of the Euler-Maruyama weak and Fréchet discretization errors. These formulas hold for general smooth reverse diffusions and become fully explicit under Gaussian data. They show how discretization error adapts to the geometry of the data through the covariance spectrum, and how this geometry interacts with key diffusion parameters, including the diffusion schedules and the diffusion-term coefficient. This yields tractable objectives for geometry-aware parameter optimization. Finally, we show that the qualitative predictions of the Gaussian formulas remain robust across diffusion sampling problems with different geometries, including image generation on different datasets and image posterior sampling.

We introduce CUTS-GPR, a new method for performing numerically exact Gaussian process regression (GPR) in high-dimensional settings. The key component of CUTS-GPR is an extremely fast kernel matrix-vector product, which exhibits near-linear or even linear scaling with the amount of training data, $N$, and low-order polynomial scaling with dimensionality, $D$. This is obtained by combining an additive kernel with an incomplete grid and exploiting the resulting structure of the kernel matrix. We demonstrate the scalability of the matrix-vector product by running benchmarks with billions of data points and thousands of dimensions. Full GPR calculations, including hyperparameter optimization, are completed in a matter of hours for $N = 447 265$ and $D = 24$. We demonstrate that our CUTS-GPR enables Bayesian modeling of high-dimensional potential energy surfaces - a longstanding challenge in computational chemistry.

Traffic state estimation from sparse fixed sensors is challenging because physics-informed neural networks (PINNs) tend to over-smooth sharp transitions admitted by the Lighthill-Whitham--Richards (LWR) model. This study proposes Two-Stage Domain Decomposition Physics-Informed Neural Networks (TSDD-PINN), an observation-aligned framework for LWR-based offline speed-field reconstruction. The framework supports spatial, temporal, and space--time refinement. Matched direction analysis shows that spatial refinement has the lowest mean error and less than half the training time of space--time refinement in the tested setting, while temporal refinement is faster. A global parent PINN is first trained. In the controlled spatial implementation, its residual profile guides a deterministic partition for warm-started child networks. An optional operational safeguard retains Stage~1 when the prespecified screen does not activate. The primary I-24 MOTION evaluation spans five days, five sensor configurations, and ten seeds per configuration, yielding 1{,}500 runs. Controlled TSDD-PINN attains the lowest relative $L_2$ error in 18 of 25 configurations and 14 of 15 sparse-sensing cases, while training 2.4 times faster than the extended PINN (XPINN) baseline under the evaluated implementations and training budgets. Non-neural comparisons show that the advantage over interpolation is concentrated under sparse sensing, whereas dense sensing often favors interpolation. A separate 250-run operational evaluation finds infrequent activation and motivates the Stage-1-preserving safeguard. The residual is treated as an indicator of model difficulty rather than a validated shock detector. The evidence supports a sensing-density-dependent operating range rather than uniform improvement.

We study the problem of \emph{architecture selection} for deep learning models trained to solve partial differential equations (PDEs), asking when transformer-based architectures with learned attention outperform Fourier-domain neural operators. We introduce the \textbf{Multi-Scale Attention Transformer} (\msat{}), a deep learning architecture that encodes spatiotemporal solution histories as token sequences and trains end-to-end via a composite supervised objective with optional physics-informed regularization terms. We conduct a comprehensive empirical evaluation against nine baselines -- including physics-informed neural networks (PINNs), neural operators (FNO, DeepONet, GNOT), and state-space models (Mamba-NO) -- across five benchmark problems from the PINNacle suite, using identical train/test splits and reference data for all methods. \msat{} achieves state-of-the-art generalization on complex geometry problems ($L^2_\mathrm{rel} = 0.0101$ on Heat2D-CG, a $3.7\times$ improvement over FNO) at $34\,\mathrm{s}$ total inference vs.\ $120{,}812\,\mathrm{s}$ for Mamba-NO. Ablation studies over the physics regularization component reveal a precise inductive bias tradeoff: physics priors reduce test error on diffusion-dominated problems but degrade generalization on chaotic and recirculating-flow regimes, directly characterizing the prior misspecification boundary. Approximation error bounds as a function of domain boundary complexity $κ$ provide a theoretical basis for these empirical findings and a principled rule for architecture selection.

The convergence of Krylov-based linear iterative solvers applied to parametric partial differential equations (PDEs) is often highly sensitive to the domain, its discretization, the location/values of the applied Dirichlet/Neumann boundary conditions, body forces and material properties, among others. We have previously introduced hybridization of classical linear iterative solvers with neural operators for specific geometries, but they tend to not perform well on geometries not previously seen during training. We partially addressed this challenge by introducing the deep operator network Geo-DeepONet and hybridizing it with Krylov-based iterative linear solvers, which, despite learning effectively across arbitrary unstructured meshes without requiring retraining, led to only modest reductions in iterations compared to state-of-the-art preconditioners. In this study we introduce Neural Subspace Proper Orthogonal Decomposition (NSPOD), a multigrid-like deep operator network-based preconditioner which can dramatically reduce the number of iterations needed for convergence in Krylov-based linear iterative solvers, even when compared to state-of-the-art methods such as algebraic multigrid preconditioners. We demonstrate its efficiency via numerical experiments on a linearized version of solid mechanics PDEs applied to unstructured domains obtained from complex CAD geometries. We expect that the findings in this study lead to more efficient hybrid preconditioners that can match, or possibly even surpass, the convergence properties of the current gold standard preconditioning methods for solid mechanics PDEs.

Physics-informed operator learning is an attractive candidate for surrogate modeling of microstructures, especially in multiscale finite-element simulations. Its practical use, however, is often limited by the high cost of loss evaluation. We address this bottleneck by combining the Equilibrium Neural Operator (EquiNO) with the QR-based discrete empirical interpolation method (Q-DEIM). EquiNO learns only the modal coefficients of reduced displacement-fluctuation and first Piola-Kirchhoff stress representations built from periodic and divergence-free bases, thereby enforcing periodicity and mechanical equilibrium by construction. Q-DEIM then identifies a small set of spatial points through a column-pivoted QR factorization of the stress basis and restricts constitutive evaluations during training to these points alone. This makes full-batch second-order optimization practical for three-dimensional representative volume elements (RVEs). Homogenized first Piola-Kirchhoff stresses are recovered directly from the offline-averaged reduced stress modes, without the need to reconstruct the full stress field at inference time. We validate the framework on two three-dimensional finite-strain hyperelastic RVEs. Q-DEIM reduces the per-step training cost by roughly three orders of magnitude relative to full-field loss evaluation, while reduced homogenization achieves speed-up factors of order $10^3$ to $10^4$ over direct full-field computations. Despite relying on only a small number of offline snapshot loading paths for basis construction, the method accurately interpolates and extrapolates both microscopic stress fields and homogenized stresses, with prediction quality improving systematically as more snapshots are added.

Physics-based digital twins aim to predict the dynamics of real-world objects under interaction, enabling real-to-sim-to-real applications in robotics. Current approaches reconstruct such twins as explicit physical models (such as spring-mass systems) to predict the dynamics, but the resulting models often inherit the resolution of the visual reconstruction rather than being reduced to the physical complexity required to reproduce task-relevant dynamics. This mismatch introduces redundant topology, making repeated forward-dynamics rollouts unnecessarily expensive. To address this challenge, we present PhySPRING, an fully differentiable GNN-based method to reduce complexity in spring--mass digital twins. PhySPRING jointly learns a hierarchy of coarsened graph topologies and their mechanical parameters from observations. At each reduction level, PhySPRING merges nodes with similar learned dynamic responses to optimize the topology, while maintaining every reduced layer as an explicit spring--mass system. On the PhysTwin benchmark, PhySPRING improves dense reconstruction and prediction accuracy over PhysTwin, while reduced models retain stable physical and visual fidelity with up to a 2.30 times speed-up. We further demonstrate the effectiveness of PhySPRING in a Real2Sim robot policy-evaluation pipeline, where the reduced models are substituted zero-shot into ACT and $π_0$ evaluations, maintaining comparable manipulation success rates across downsampling levels while improving action-sampling effectiveness. Together, PhySPRING enables efficient and structure-preserving spring--mass reduction without sacrificing fidelity or robotic utility.

We study Flow Matching in a semi-discrete setting where a Gaussian source is transported toward a discrete target supported on finitely many points. This semi-discrete regime is the theoretical setting behind the use of Flow Matching for generative modeling, where the target distribution is represented by a finite dataset. In this semi-discrete regime, the exact Flow Matching velocity field is available in closed form, which makes it possible to analyze the geometry induced by the terminal flow map independently of optimization and approximation effects. We investigate the terminal assignment regions, namely the preimages of the target atoms under the terminal flow. We show that these regions are open, simply connected and, under an additional assumption, homeomorphic to the unit ball. At the same time, a planar four-point example shows that these cells can differ sharply from Laguerre cells arising in semi-discrete optimal transport: they may be non-convex, have curved boundaries, and exhibit different boundedness and adjacency patterns. These results clarify the geometry intrinsically induced by the exact semi-discrete Flow Matching objective before neural approximation enters the picture.

Inferring the evolution of high-dimensional and multi-modal (e.g., spatio-temporal) physical fields from irregular sparse measurements in real time is a fundamental challenge in science and engineering. Existing approaches, including diffusion-based generative models and functional tensor methods, typically operate in offline settings, depend on full temporal observations, or incur substantial inference cost. We propose StreamPhy, an end-to-end framework that enables efficient and accurate streaming inference of full-field physical dynamics from incoming irregular sparse measurements. The framework integrates a data-adaptive observation encoder that is robust to arbitrary observation patterns, a structured state-space model that supports memory-efficient online updates across irregular time intervals, and an expressive Functional Tensor Feature-wise Linear Modulation (FT-FiLM) decoder for continuous-field generation. We prove that FT-FiLM is more expressive than the functional Tucker model, admitting a richer function class for handling complex dynamics. Experiments on three representative physical systems under challenging sampling patterns show that StreamPhy consistently outperforms state-of-the-art baselines, with at least 48% improvement in accuracy and up to 20--100X faster inference than diffusion-based methods.

Normalization layers in neural operators usually compute statistics by uniformly averaging discrete grid values, making the normalization itself discretization-dependent and thereby a source of transfer error across different resolutions or meshes. To enable discretization robustness, we introduce a quadrature normalization family that replaces existing uniform averaging in normalization layers with numerical quadrature: QuadNorm and BlendQuadNorm. On endpoint-inclusive uniform grids, the proposed quadrature moments are $O(h^2)$-consistent across discretizations, meaning that their cross-resolution mismatch decays quadratically with grid spacing. A transfer-error bound then predicts how normalization-induced mismatch scales with both the resolution gap and network depth. The experiments show the same gap- and depth-scaling trends predicted by the transfer-error bound. On Darcy, QuadNorm delivers the best cross-resolution performance at every tested target resolution from $64^2$ to $256^2$; on real-data benchmarks, Transolver with QuadNorm achieves nearly resolution-invariant transfer. The largest gains appear on nonperiodic PDEs and nonspectral architectures, where native-resolution improvements also emerge. We also validate BlendQuadNorm, which stays close to LayerNorm behavior and serves as a conservative default for periodic FNO settings. These results identify normalization as a previously overlooked source of resolution dependence in neural operators.

Scientific foundation models are expected to reuse representations under changes in dataset, acquisition protocol, and deployment domain, yet many sequence backbones treat scientific temporal structure as an unconstrained pattern to be fitted. We argue that this misses a central property of natural dynamical systems: neural and atmospheric time series are organized by interacting processes across multiple physical timescales, and failure to preserve this multiscale structure contributes to brittleness under distribution shift. We formalize this failure mode as temporal kernel mismatch, where a model fits in-distribution dynamics with an effective memory policy that is not anchored to the signal's physical timescales, leading to representation drift and degraded transfer. We propose Physics-Informed Multi-Scale Mamba (PIMSM), a state-space architecture that maps spectrum-estimated transition points between frequency regimes (knee frequencies) to scale-specific discretization parameters and anchors them to acquisition time units. On Human Connectome Project fMRI, PIMSM improves robustness and representation stability under severe temporal-context truncation, extreme low-resource transfer, and resting-state-to-task-state generalization. Without modality-specific adaptation, the same architecture also attains the lowest variable-wise MAE across all reported horizons and variables on Weather-5K held-out-station spatial out-of-distribution forecasting. These results support temporal-scale alignment as a practical inductive bias for scientific foundation models that must preserve structure, not only fit correlations, under deployment shift.

We present the first method to directly use a learned continuous Lagrangian to forecast the dynamics of systems governed by partial differential equations, exploiting the inherent conservative structure to achieve stable long-range predictions. We develop an optimization-based integrator that minimizes the squared Euler--Lagrange residual via a mesh-free near-symplectic construction on local space-time patches. Different from integrators for analytical models, integrators for learned models should decouple model error (phase error) from integration error (conservation error). By relying on optimization rather than time-stepping, we bypass the global coupling inherent to fixed discretizations, which slows time- and space-stepping and complicates learning. Our method scales linearly with domain size via Jacobi iteration, and places no structural requirements on the learned network, allowing it to be coupled with existing physics-guided machine learning (ML) methods. We validate our approach on a learned representation of a double pendulum, a one-dimensional wave equation, and a two-dimensional wave equation. Our method achieves error comparable to classical symplectic methods while generalizing to spatially varying dynamics and arbitrary boundary conditions without retraining.

Physics-informed neural networks (PINNs) provide a mesh-free framework for solving PDE-constrained inverse problems, but their extension to Bayesian inversion still faces a fundamental difficulty: prior distributions are typically defined in the weight space of neural networks, whereas physically meaningful prior assumptions are more naturally expressed in function space. In this study, we introduce a unified framework, termed functional-prior-based approaches to Bayesian PDE-constrained inversion using physics-informed neural networks (fpBPINN), to incorporate functional priors into Bayesian PINN-based inversion. We consider two complementary approaches. The first is a functional-prior-informed Bayesian PINN (FPI-BPINN), in which a neural network weight prior is learned to be consistent with a prescribed functional prior, and Bayesian inference is subsequently performed in weight space. The second is function-space particle-based variational inference for PINNs (fParVI-PINN), which performs Bayesian estimation using ParVI directly in function space. We also show that random Fourier features (RFF) play an important role in representing Gaussian functional priors with neural networks and in improving posterior approximation. We applied the proposed approaches to one-dimensional seismic traveltime tomography and two-dimensional Darcy-flow permeability inversion. These numerical experiments showed that both approaches accurately estimated posterior distributions, highlighting the significance of introducing physically interpretable functional priors into Bayesian PINN-based inverse problems. We also identified the contrasting advantages of FPI-BPINN and fParVI-PINN, namely flexibility and accuracy, respectively.

Advanced driver-assistance systems (ADAS) require neural compute engines that deliver low-latency inference under strict power and area constraints. Posit arithmetic is attractive for such accelerators because it provides high numerical fidelity at low precision, but its variable-length regime encoding increases encode/decode cost and exposes the datapath to large regime-field fault effects. This paper presents EULER-ADAS, a SIMD-enabled logarithmic bounded-Posit neural compute engine for energyefficient and reliability-aware ADAS acceleration. The proposed datapath combines bounded-regime Posit representation, stageadaptive logarithmic mantissa multiplication with bit truncation, and a SIMD-shared quire accumulation path supporting Posit- (8,0), Posit-(16,1), and Posit-(32,2) execution. The unified architecture enables 4xPosit-8, 2xPosit-16, or 1xPosit-32 operation without duplicating precision-specific hardware. FPGA implementation shows that the proposed configurations reduce LUT count by up to 41.4%, delay by up to 76.1%, and power by up to 71.9% relative to exact Posit neural compute engines, while achieving up to 10x lower energy-delay product than radix-4 Booth-based Posit multipliers. In 28-nm CMOS, the bounded variants occupy 0.013-0.016 mm2 , consume 19.8-22.1 mW, and operate at up to 1.84 GHz. Application-level evaluation across image-classification, ADAS, and edge-inference workloads shows that the evaluated Posit-16 and Posit-32 configurations remain within about 1.5 percentage points of FP32 accuracy. A TinyYOLOv3 prototype on Pynq-Z2 achieves 78 ms latency at 0.29 W and 22.6 mJ/frame, demonstrating the suitability of EULERADAS for low-power real-time ADAS inference.

In this paper, we introduce INEUS, a meshfree iterative neural solver for partial integro-differential equations (PIDEs). The method replaces the explicit evaluation of nonlocal jump integrals with single-jump sampling and reformulates PIDE solving as a sequence of recursive regression problems. Like Physics-Informed Neural Networks (PINNs), INEUS learns global solutions over the entire space-time domain, yet it offers a more efficient treatment of nonlocal terms and avoids the computationally expensive differentiation of full PIDE residuals. These features make INEUS particularly well suited for high-dimensional PDEs and PIDEs. Supported by a contraction-based convergence proof for linear PIDEs, our numerical experiments show that INEUS delivers accurate and scalable solutions for various high-dimensional linear and nonlinear examples.

Diffusion-based image-to-image (I2I) translation excels in high-fidelity generation but suffers from slow sampling in state-of-the-art Diffusion Bridge Models (DBMs), often requiring dozens of function evaluations (NFEs). We introduce DBMSolver, a training-free sampler that exploits the semi-linear structure of DBM's underlying SDE and ODE via exponential integrators, yielding highly-efficient 1st- and 2nd-order solutions. This reduces NFEs by up to 5x while boosting quality (e.g., FID drops 53% on DIODE at 20 NFEs vs. 2nd-order baseline). Experiments on inpainting, stylization, and semantics-to-image tasks across resolutions up to 256x256 show DBMSolver sets new SOTA efficiency-quality tradeoffs, enabling real-world applicability. Our code is publicly available at https://github.com/snumprlab/dbmsolver.

We study the efficient computation of Shapley values for \emph{product games} -- cooperative games in which the coalition value factorizes as a product of per-player terms. Such games arise in machine learning explainability whenever the value function inherits a multiplicative structure from the underlying model, as in kernel methods with product kernels and tree-based models. Our key result is that the Shapley value of each player in a product game admits an exact one-dimensional integral representation: the weighted sum over exponentially many feature coalitions collapses to the integral of a degree-$(d-1)$ polynomial over $[0,1]$, where $d$ is the total number of features. This yields a Gauss--Legendre quadrature scheme that is \emph{provably exact} whenever the number of nodes satisfies $m_q \geq \lceil d/2 \rceil$, and otherwise provides a \emph{near-exact} approximation with error provably decaying geometrically in $m_q$. In practice, a few hundred nodes can achieve highly precise estimates even with thousands of features. Building on this formulation, we derive a numerically stable implementation via log-space evaluation, together with an efficient parallel implementation based on associative scan primitives that achieves $O(d\,m_q)$ total work and $O(\log d)$ parallel time. Experiments show that \textsc{QuadraSHAP} is the fastest numerically stable method across all tested configurations.

Kernel quadrature can exploit RKHS spectral structure and outperform Monte Carlo on smooth integrands, but optimized quadrature weights are generally signed and may be numerically unstable. We study whether spectral acceleration remains possible when the weights are constrained to be positive, i.e., simplex weights. In the exact-target fixed-pool setting, an evaluated i.i.d. candidate pool of size $N$ is already available and the task is to reweight it so as to approximate the kernel mean embedding. We show that this positive reweighting problem is governed not by the equal-weight empirical average, but by the random convex hull generated by the pool. Our main geometric result shows that the mean of a bounded $d$-dimensional random vector can be approximated by a convex combination of $N$ i.i.d. samples at accuracy $O(d/N)$ with high probability, sharper than equal-weight averaging in the fixed-dimensional regime. We transfer this $d$-dimensional convex-hull approximation to full RKHS worst-case error through an augmented Mercer-truncation argument. The resulting positive-weight KQ bounds consist of a spectral tail term and a finite-sample convex-hull term, yielding Monte-Carlo-beating rates in favorable spectral regimes, including near-$O(1/N)$ rates up to logarithmic factors under exponential spectral decay. We also provide a constructive Frank--Wolfe algorithm that operates directly on the pool atoms, maintains simplex weights, and admits an explicit optimization-error bound.

This paper shows that the semi-dual formulation of the optimal transport problem has a degenerate saddle-point structure, and that its numerical solution is equivalent to solving a constrained optimization problem. We derive necessary and sufficient conditions for the convergence of Monge maps without requiring optimality of the dual potential. This analysis helps explain why, in practice, numerical algorithms often require more iterations to update the transport map than the potential.

Strichartz inequalities are a cornerstone of the modern theory of dispersive PDEs, but their extremizers are known explicitly only in a handful of sharp cases. The non-convexity of the underlying functional makes the problem hard, and to our knowledge no systematic numerical attack has been attempted. We propose a simple neural-network-based pipeline that searches for extremizers as critical points of the Strichartz ratio, and apply it in three settings. First, on the Schrödinger group we recover the Gaussian extremizers of Foschi and Hundertmark--Zharnitsky in dimensions $d=1,2$ to within $10^{-3}$ relative error, with no analytical prior. Second, on $59$ further admissible pairs in $d=1$ where the answer is conjectural, the method consistently finds Gaussians, supporting the conjecture that Gaussians are the universal extremizers in the admissible range. Third, on the critical Airy--Strichartz inequality at $γ=1/q$, where existence is open, the optimization does not converge to any $L^2$ profile: instead, the iterates organize themselves as mKdV breathers $B(0,\cdot;α,1,0,0)$ with growing internal frequency $α$, and the discovered ratio approaches the Frank--Sabin universal lower bound $\widetilde A_{q,r}$ from below with a power-law gap $\simα^{-0.9}$. We confirm the same picture with an independent Hermite-basis ansatz. We propose a precise conjecture: the supremum equals $\widetilde A_{q,r}$ and is approached, but not attained, along the breather family. The pipeline thus serves both as a validator on known cases and as a discovery tool when no extremizer exists.

We propose HIN-LRI, a hybrid framework that augments a classical numerical solver with a neural operator trained to correct the solver's structured truncation error. A base low-regularity integrator provides a consistent first-order approximation to nonlinear dispersive PDEs, while a lightweight neural network, operating on a low-dimensional latent manifold, learns the residual defect that analytical methods cannot close. An explicit time-step scaling on the neural correction ensures that its Lipschitz contribution remains $\mathcal{O}(τ)$, yielding a Gronwall stability factor bounded uniformly in the step size and independent of the spatial resolution. The network is trained end-to-end through a solver-in-the-loop objective that unrolls the full iteration and penalises trajectory error in a Bourgain-type norm, aligning learning with multi-step solver dynamics rather than isolated one-step targets. Under stated assumptions, the global error satisfies $C(\varepsilon_{net}+δ)\,τ^γ\ln(1/τ)$, where $\varepsilon_{net}$ measures the network approximation quality and $δ$ the training shortfall. Experiments on three dispersive benchmarks with rough data show that HIN-LRI improves accuracy over analytical integrators, splitting methods, and neural PDE surrogates, with stable spatial refinement, effective out-of-distribution transfer, and modest online overhead.

From neural ODEs to continuous-time machine learning, differentiable solvers allow physics, optimization, and simulation to become trainable components within deep learning systems. This has opened the path to a new generation of deep learning frameworks for scientific computing, with many promising applications still emerging. In this paper, we integrate a differentiable chemistry solver into a modified physics-informed neural network to solve parameterized reaction systems that are inherently stiff. The proposed framework introduces several key components required to overcome limitations of standard physics-informed neural networks. These include a differentiable chemistry solver, a network architecture for parameterized solutions, and residual weighting tailored to stiff reactions. We evaluate the framework on a set of differential equations related to hydrogen combustion, which include initial/boundary value problems, inverse parameter identification, and a parameterized partial differential equation. Our results highlight the ability of the proposed approach to extend physics-informed neural networks to stiff chemical systems that were previously inaccessible.

Physics-Informed Neural Networks (PINNs) often struggle to train reliably on stiff and oscillatory dynamical systems due to poor optimization conditioning. While prior work has emphasized representational remedies such as spectral parameterizations, the optimization implications of initial-condition (IC) embeddings in adaptive spectral PINNs have not been well characterized. In this work, we show that the choice of IC gating function induces explicit time-dependent gradient scaling, which interacts with spectral representations during training. Using a nonlinear stiff spring-pendulum ODE as a controlled benchmark, we compare exponential and linear IC gates in combination with fixed and adaptive Fourier spectral trunks. We observe stiffness-dependent changes in relative dominance for adaptive PINNs: at moderate stiffness ($k=20$), exponential gating often yields lower error but exhibits heterogeneous behavior across random seeds, whereas at higher stiffness ($k=60$), linear gating becomes preferable, with additional reversals observed at larger $k$. These trends hold for both relative $L^2$ error and maximum pointwise error and are confirmed by paired Wilcoxon signed-rank tests with Holm correction. Overall, our results demonstrate that IC embeddings are not a neutral design choice in PINNs: the induced gradient scaling materially shapes optimization conditioning in stiff regimes, with distinct sensitivity patterns in baseline and adaptive spectral models.

Grid-based neural networks such as convolutional autoencoders are widely used in dimension reduction-based surrogate models for computational fluid dynamics. In recent years, the use of coordinate-based approaches like conditional neural fields has emerged. Their independence of the spatial discretization is a beneficial feature for various applications in computational fluid dynamics. This paper discusses the spatio-temporal prediction of aircraft ditching loads using a conditional neural field approach. The model is evaluated using two datasets for the dynamic loads of the fuselage of a DLR-D150 aircraft, one of which relates to a single fixed spatial discretization and the other that includes data from different discretizations. When paired with a long short-term memory (LSTM) network in the latent space, the neural field-based model achieves a spatio-temporal prediction accuracy for the first data set that is close to that of grid-dependent convolutional autoencoder-based models, and with significantly less parameters. Results for the second data set demonstrate the ability of the neural field-based approach to reconstruct ditching loads accurately for heterogeneous spatial discretizations. This allows for flexible use of training datasets generated for different geometries and/or discretizations, as well as the use of the surrogate model to predict loads for different configurations.

This paper develops convolutional neural network (CNN) methods for simultaneous Sobolev approximation and elliptic boundary value problems on compact Riemannian manifolds. We prove approximation estimates for single- and multichannel CNNs, with rates governed by the intrinsic dimension and the smoothness gap. Motivated by elliptic stability, we propose a physics-informed CNN framework with a spectral boundary loss. The boundary residual is expanded in boundary Laplace--Beltrami eigenmodes and penalized by Sobolev trace weights, matching the natural $\mathcal H^{2s-1/2}(\partial\mathcal M^d)$ trace norm for $2s$-order elliptic problems. This avoids smooth auxiliary constructions for exact boundary enforcement and singular Sobolev--Slobodeckij double integrals, while allowing FFT-based or precomputed spectral implementations. We also derive an error decomposition separating approximation, generalization, and spectral truncation errors, showing that the proposed loss is aligned with localized fast-rate generalization analysis. Numerical experiments on the upper hemisphere and upper half-torus demonstrate improved accuracy, convergence, and stability over standard PINNs, with one to two orders of magnitude gains for high-frequency boundary data.

Reconstructing PDE-governed fields from sparse and irregular measurements is challenging due to their ill-posed nature. Deterministic surrogates are trained on dense fields that struggle with limited measurements and uncertainty quantification. Generative models, by learning distributions over spatiotemporal fields, can better handle sparsity and uncertainty. However, existing generative approaches enforce data consistency and PDE constraints simultaneously via sampling-time gradient guidance, resulting in slow and unstable inference. To this end, we propose PerFlow, a Physics-embedded rectified Flow for efficient sparse reconstruction and uncertainty quantification of spatiotemporal dynamics. PerFlow decouples observation conditioning from physics enforcement, performing guidance-free conditioning by feeding observations into rectified-flow dynamics while embedding hard physics via a constraint-preserving projection (e.g., incompressibility or conservation). Theoretically, we establish invariance guarantees to ensure that trajectories remain on the physics-consistent manifold throughout sampling. Experiments on various PDE systems demonstrate competitive reconstruction accuracy with sound physics consistency, while enabling efficient conditional sampling (e.g., 50 steps) and up to 320x faster inference than 2000-step guided diffusion baselines.

The dual norm characterisation of weak solutions of second-order linear elliptic partial differential equations is mathematically natural but computationally intractable: evaluating the $H^{-1}$ norm of the residual requires a supremum over an infinite-dimensional test space. We prove that the $H^{-1}$ norm of any functional is equivalent to its expected squared evaluation against a random test function whose probability distribution depends only on the domain. Crucially, realisations of this random test function have negative Sobolev regularity for $d \geq 2$, yet this roughness is not an obstacle: averaging over the distribution exactly recovers the correct weak topology, independently of the differential operator, and no supremum evaluation is necessary. This equivalence introduces the notion of stochastically weak solutions, which coincide with classical weak solutions, and motivates stochastic variational physics-informed neural networks (SV-PINNs): neural networks trained by minimising an empirical approximation of the stochastic norm of the PDE residual. Although instantiated here with neural networks, the underlying principle is independent of the trial space and suggests a broader paradigm for numerical methods based on stochastic rather than deterministic test spaces. The framework extends naturally to higher-order elliptic, parabolic and hyperbolic equations and to abstract operator equations on Hilbert spaces. As a proof of concept, we present numerical experiments on eight challenging second-order linear elliptic problems spanning high-frequency and multi-scale solutions, indefinite operators, variable coefficients, and non-standard domains, in which SV-PINNs consistently and significantly outperform standard PINNs, recovering solutions to within one percent relative error in hundreds of L-BFGS steps.

Solving inverse problems in dynamical systems governed by high-dimensional coupled ordinary differential equations (ODEs) is a ubiquitous challenge in scientific machine learning. In many real-world applications, researchers seek to uncover unknown parameters or model unknown dynamics even as the underlying physics is only partially characterized, and observations are sparse and limited to specific measurable channels. While physics-informed neural networks (PINNs) are ideal for inverse inference under partial observability, existing PINNs typically rely on task-specific joint optimization, which suffers from optimization difficulties and poor generalization. In this paper, we propose a meta-inverse physics-informed neural network (MI-PINN) that reformulates inverse modeling as a two-stage meta-learning problem. MI-PINN first learns a physics-aware representation across multiple tasks, and then performs inverse modeling by optimizing task-specific unknowns while keeping the learned representation fixed. This two-stage formulation significantly reduces the parameter search dimension, thereby improving sample efficiency and enabling accurate inference. To handle multi-scale dynamics common in these high-dimensional ODE systems, we further introduce an adaptive clustering-based multi-branch learning scheme. We demonstrate the effectiveness of MI-PINN on whole-body physiologically based pharmacokinetic (PBPK) models with up to 33 coupled ODEs, using paracetamol and theophylline under intravenous and oral dosing scenarios. Experimental results show that MI-PINN enables accurate recovery of masked kinetic parameters and reconstruction of missing mechanistic terms despite limited clinical observations.

Score-based diffusion models in infinite-dimensional function spaces provide a mathematically principled framework for modelling function-valued data, offering key advantages such as resolution invariance and the ability to handle irregular discretisations. However, practical implementations have struggled to fully realise these benefits. Existing backbones like Fourier neural operators are often biased towards regular grids and fail to generalise to complex domain topologies. We propose a novel architecture for function-space diffusion models that represents generalised graph convolutional kernels as finite element functions, enabling the model to naturally handle unstructured meshes and complex geometries. We demonstrate the efficacy of our network architecture through a series of unconditional and conditional sampling experiments across diverse geometries, including non-convex and multiply-connected domains. Our results show that the proposed method maintains resolution invariance and achieves high fidelity in capturing functional distributions on non-trivial geometries.

Neural PDE simulators often receive only a single observed field at deployment. In this setting, a field-to-future predictor can collapse distinct latent problem states into the same deterministic interface, losing the ambiguity needed for reliable rollout and downstream decisions. We propose posterior-first neural PDE simulation: first infer a posterior over the minimal task-sufficient problem state, then condition prediction on that posterior. The resulting theory connects the object, the learning target, and the failure mode: Bayes downstream values factor through this posterior, refinement labels make it learnable by proper scoring rules, and deterministic collapse incurs an ambiguity barrier whenever the true posterior is non-Dirac. Synthetic exact-ambiguity experiments show that point-versus-posterior gaps track the predicted barrier. On metadata-hidden PDEBench tasks, posterior recovery reduces pooled rollout nRMSE from 0.175 to 0.132, closing 59.4% of the direct-to-oracle gap. These results suggest that single-observation neural PDE simulation should be posterior-first rather than monolithic field-to-future prediction.

Fourier Neural Operators are deep learning models that learn mappings between function spaces and can be used to learn and solve partial differential equations (PDEs), in some cases significantly faster than traditional PDE solvers. Within the model are Fourier layers, which apply linear transformations directly to the Fourier modes, with parameters depending on the wave numbers. However, most physical systems are isotropic, with the results being independent of the coordinate system chosen, but the linear transformations do not necessarily respect these symmetries. We propose a modification to the linear transformations that ensures spatial symmetries are respected, called the Isotropic Fourier Neural Operator, which both improves model performance and reduces the number of parameters by up to a factor of 16 in 2D and 96 in 3D.

Physics-informed neural networks (PINNs) have recently emerged as a promising framework for integrating data-driven learning with physical knowledge. In this work, we propose a coupled PINN approach for the joint reconstruction of indoor temperature and humidity dynamics in greenhouse environments, together with simultaneous identification of key model parameters. The method incorporates a reduced-order physically motivated model into the learning process, enabling consistent estimation under sparse and noisy observations. The artificial intelligence contribution lies in the development of a coupled physics-informed neural learning framework that integrates governing dynamical constraints into neural network training, while the engineering application focuses on greenhouse climate state reconstruction and parameter identification. The proposed framework is evaluated on a controlled synthetic benchmark that mimics diurnal forcing conditions. Compared with a purely data-driven neural network baseline, the coupled PINN achieves improved reconstruction accuracy, reducing temperature and humidity errors while maintaining high coefficients of determination. The improvement is particularly pronounced in the humidity channel, where latent moisture dynamics are more difficult to infer from limited measurements. In addition to accurate state reconstruction, the method successfully recovers the dominant physical parameters governing the system dynamics, demonstrating its ability to learn interpretable representations beyond data interpolation. These results highlight the potential of physics-informed learning for greenhouse climate modeling and, more broadly, for data-scarce environmental systems.

Multiphysics simulation is critical for system-technology co-optimization (STCO) in chiplet-based design, but repeated finite-element solutions of PDE-governed problems are computationally expensive in parametric design exploration. This paper proposes a variational matrix-learning Fourier network (VMLFN) for efficient parametric multiphysics surrogate modeling. VMLFN constructs a log-space sine neural representation with randomly sampled spectral frequencies, frequency-dependent decay regulation, and embedded Dirichlet boundary conditions. With fixed hidden-layer parameters, the output-layer weights are determined by reformulating the governing PDEs into variational weak forms and enforcing the stationarity condition of the resulting energy functional. This converts physics-informed training into a linear matrix-solving problem, requiring only first-order derivatives and avoiding both high-order automatic differentiation and penalty-coefficient tuning. A heuristic frequency-scanning algorithm is further introduced to select a problem-adaptive maximum frequency that covers the dominant spectral range of the target problem. The proposed method is validated on heat conduction, solid mechanics, and Helmholtz wave propagation problems. Results from five benchmark cases demonstrate that VMLFN delivers accurate full-field predictions with substantial speedup over conventional physics-informed neural networks and repeated finite-element simulations.

Physics-Informed Neural Networks (PINNs) offer a flexible paradigm for solving differential equations by embedding governing laws into the training objective. A persistent limitation is instance specificity: standard PINNs typically require retraining for each new forcing term, boundary/initial condition, or parameter setting. One-shot transfer learning (OTL) addresses this bottleneck for linear operators by freezing a pretrained latent representation and computing optimal output weights in closed form, but for nonlinear problems closed-form adaptation is generally unavailable because the loss is nonconvex in the output layer. In this paper we substantially broaden the class of nonlinearities amenable to one-shot PINN transfer by combining OTL with Chebyshev polynomial surrogates. We approximate general smooth weakly nonlinear terms by truncated Chebyshev expansions over a prescribed solution range, yielding a polynomial nonlinearity that can be handled by a perturbative decomposition into linear subproblems. A multi-head PINN learns a reusable latent space associated with the dominant linear operator; at test time, solutions to new instances are obtained via a sequence of closed-form linear solves in the output layer, without retraining the network body. We provide a unified derivation of the framework for ODEs and PDEs and demonstrate accuracy and fast online adaptation on nonlinear benchmarks, including non-polynomial and singular ODE nonlinearities as well as a reaction-diffusion PDE with saturating kinetics, demonstrating the method's utility in many-query regimes.

The co-optimization of geometry and physical parameters remains challenging in transient multiphysics systems involving moving boundaries, nonlinear material response, phase transitions, and competing objectives. Existing methods often optimize geometry and physical variables separately, rely on simplified steady-state physics, or require offline data generation and reduced design spaces. Here, we present an end-to-end differentiable co-optimization framework that couples an implicit neural representation of geometry with a JAX-compiled Eulerian multiphysics solver. Geometry is represented as a signed distance field using Fourier-feature-encoded spatial coordinates, while boundary conditions, initial conditions, process controls, and material parameters are optimized within the same differentiable loop. Continuous relaxations represent non-smooth physical transitions while preserving compatibility with reverse-mode automatic differentiation and backpropagation through time. We demonstrate the framework using a transient hamburger-cooking benchmark, selected as an interpretable multiphysics problem rather than a culinary optimization exercise. The benchmark combines conductive and convective heat transfer, latent energy effects, moisture and fat transport, shrinkage-induced geometry evolution, evolving contact boundary conditions, flipping-induced boundary-condition changes, and competing quality objectives. Results show that geometry-only optimization modifies shape to relieve thermal bottlenecks, while joint co-optimization distributes the design response across geometry, material state, process variables, and boundary conditions through gradients propagated over the full transient rollout.

We introduce HyCOP, a modular framework that learns parametric PDE solution operators by composing simple modules (advection, diffusion, learned closures, boundary handling) in a query-conditioned way. Rather than learning a monolithic map, HyCOP learns a policy over short programs - which module to apply and for how long - conditioned on regime features and state statistics. Modules may be numerical sub-solvers or learned components, enabling hybrid surrogates evaluated at arbitrary query times without autoregressive rollout. Across diverse PDE benchmarks, HyCOP produces interpretable programs, delivers order-of-magnitude OOD improvements over monolithic neural operators, and supports modular transfer through dictionary updates (e.g., boundary swaps, residual enrichment). Our theory characterizes expressivity and gives an error decomposition that separates composition error from module error and doubles as a process-level diagnostic.

We present Mesh Field Theory (MeshFT) and its neural realization, MeshFT-Net: a structure-preserving framework for mesh-based continuum physics that cleanly separates the physics' topological structure from its metric structure. Imposing minimal physical principles (locality, permutation equivariance, orientation covariance, and energy balance/dissipation inequality), we prove a reduction theorem for mesh-based physics. Under these conditions, the physical dynamics admit a local factorization into a port-Hamiltonian form: the conservative interconnection is fixed uniquely by mesh topology, whereas metric effects enter only through constitutive relations and dissipation. This reduction clarifies what must be fixed and what should be learned, directly informing MeshFT-Net's design. Across evaluations on analytic and realistic datasets, physics-consistency tests, and out-of-distribution validation, MeshFT-Net achieves near-zero energy drift and strong physical fidelity (correct dispersion and momentum conservation) along with robust extrapolation and high data efficiency. By eliminating non-physical degrees of freedom and learning only metric-dependent structure, MeshFT provides a principled inductive bias for stable, faithful, and data-efficient learning-based physical simulation.

Physics-Informed Neural Networks have become a powerful mesh-free method for solving partial differential equations, but their performance is often limited by spectral bias. Specifically, in standard MLPs used in PINNs, the global parameter coupling causes the model to prioritize learning low-frequency components, resulting in slow convergence for high-frequency details. To overcome this limitation, we introduce the Physics-Informed Local Implicit Representation (PILIR). Our approach separates the global physical domain into a discrete latent feature space and a continuous generative decoder. By using a learnable grid to encode explicit spatial locality, PILIR can capture high-frequency details locally, preventing dilution by global patterns. A generative neural operator then synthesizes these local latent features into continuous physical fields, allowing accurate reconstruction of fine-scale structures. Experiments on a range of challenging PDEs show that PILIR effectively mitigates spectral bias, thereby boosting the convergence of high-frequency details and achieving superior accuracy compared to state-of-the-art methods.

Dirac-Frenkel instantaneous residual minimization evolves nonlinear parametrizations of PDE solutions in time, but ill-conditioning can render the parameter dynamics non-unique. We interpret this non-uniqueness as a gauge freedom: nullspace directions that leave the time derivative unchanged can be used to select better-conditioned parameter velocities. Building on Onsager's minimum-dissipation principle, we introduce a history variable -- interpretable as momentum -- and inject it only along the nullspace directions. The resulting Dirac-Frenkel-Onsager dynamics preserve instantaneous residual minimization, in contrast to standard regularization that can introduce bias, while promoting temporally smooth parameter evolutions. Examples demonstrate that the approach leads to increased robustness in singular and near-singular regimes.

In recent years, physics-informed neural networks (PINNs) have gained significant attention for solving differential equations, although they suffer from two fundamental limitations, namely, spectral bias inherent in neural networks and loss imbalance arising from multiscale phenomena. This paper proposes an adaptive wavelet-based PINN (AW-PINN) to address the extreme loss imbalance characteristic of problems with localized high-magnitude source terms. Such problems frequently arise in various physical applications, such as thermal processing, electro-magnetics, impact mechanics, and fluid dynamics involving localized forcing. The proposed framework dynamically adjusts the wavelet basis function based on residual and supervised loss. This adaptive nature makes AW-PINN handle problems with high-scale features effectively without being memory-intensive. Additionally, AW-PINN does not rely on automatic differentiation to obtain derivatives involved in the loss function, which accelerates the training process. The method operates in two stages, an initial short pre-training phase with fixed bases to select physically relevant wavelet families, followed by an adaptive refinement that adapts scales and translations without populating high-resolution bases across entire domains. Theoretically, we show that under certain assumptions, AW-PINN admits a Gaussian process limit and derive its associated NTK structure. We evaluate AW-PINN on several challenging PDEs featuring localized high-magnitude source terms with extreme loss imbalances having ratios up to $10^{10}:1$. Across these PDEs, including transient heat conduction, highly localized Poisson problems, oscillatory flow equations, and Maxwell equations with a point charge source, AW-PINN consistently outperforms existing methods in its class.

We present CRADIPOR, a numerical dispersion prediction tool for automotive crash simulations. Finite Element (FE) crash models are widely used throughout vehicle development, but their predictions are not strictly repeatable because of parallel computation and model complexity. As a result, performance criteria evaluated during post-processing may exhibit significant numerical dispersion, which complicates engineering decision-making. Although dispersion can be estimated by repeating the same simulation, this approach is generally impractical because of its high computational cost. This work therefore investigates a prediction tool that can be applied during routine crash-simulation post-processing without repeating the computation. The proposed approach relies on a Rank Reduction Autoencoder (RRAE) combined with supervised classification in order to identify regions sensitive to numerical dispersion. The comparative analysis suggests that the RRAE-based framework is more effective than the Random Forest baseline on the studied dataset. Among the tested signal representations, wavelet-based and slope-based inputs appear to be the most promising, with slope variations providing the best classification performance. These results support the use of structured latent representations for improving numerical-dispersion detection in automotive crash post-processing.

Inertial Confinement Fusion (ICF) holds transformative promise for sustainable, near-limitless clean energy, yet remains constrained by prohibitively high costs and limited experimental opportunities. This paper presents Human-in-the-Loop Meta Bayesian Optimization (HL-MBO), a framework that integrates expert knowledge with few-shot, uncertainty-aware machine learning to accelerate discovery in data-scarce, high-stakes scientific domains. HL-MBO introduces a meta-learned surrogate model with an expert-informed acquisition function to recommend candidate experiments. To foster trust and enable informed decisions, HL-MBO also provides interpretable explanations of its suggestions. We show HL-MBO outperforms current BO methods on ICF energy yield optimization, as well as benchmarks in molecular optimization and critical temperature maximization for superconducting materials.

Machine learning continues to emerge as an important tool to be utilised within structural engineering and structural health monitoring, due to its ability to accurately and quickly perform both regression and classification tasks. However, a purely data driven approach has its limitations, particularly where we lack data from relevant environmental and operational conditions, a situation that has led to the development of physics-informed machine learners for structural health monitoring. These "grey-box" models take into account the physical insight that an engineer would have about the structure they are modelling and have shown promising results in the structural engineering field among many others. This work compares black and grey-box models through a "green" lens, comparing them in terms of their environmental impact, and investigating how the high extrapolative performance of grey-box models can reduce their runtimes and therefore carbon emissions. The authors aim to develop physics-informed models with reduced computational costs, while maintaining high performance, illustrated through a structural health monitoring case study.

Operational weather prediction has long relied on physics-based numerical weather prediction (NWP), whose accuracy comes at the cost of substantial compute and complex simulation workflows. Recent transformer-based forecasters offer efficient data-driven alternatives, however transformers are physics-agnostic models. Additionally, standard transformer encoders evolve representations through discrete layer updates that may be less suited to modeling smooth latent dynamics. In this work, we propose a continuous-depth transformer encoder for weather forecasting that integrates Neural Ordinary Differential Equation (Neural ODE) dynamics within each encoder block. Specifically, we replace discrete residual updates with ODE-based updates solved using adaptive numerical integration. We also introduce a two-branch attention module that combines conventional patch-wise self-attention with an auxiliary branch that applies a derivative operator to attention logits, providing an additional change-sensitive interaction signal. To further align forecasts with governing principles, we propose a customized physics-informed training objective that enforces physical consistency as a soft constraint. We evaluate the proposed method against a standard discrete transformer baseline and an existing continuous-time Neural ODE forecasting variant, demonstrating the importance of PINN-Cast in short term weather forecasting.

Causal inference is essential for data-driven decision-making, as it aims to uncover causal relationships from observational data. However, identifying causality remains challenging due to the potential for confounding and the distinction between correlation and causation. While recent advances in causal machine learning and matching algorithms have improved estimation accuracy, these methods often face trade-offs between interpretability and computational efficiency. This paper proposes a novel approach that combines a tree-based discretization technique, tailored for causal inference, with an integer linear programming-based matching algorithm. The discretization ensures approximately linear relationships for control datasets within strata, enabling effective matching, while the optimization framework optimizes for global balance. The resulting algorithm yields computational efficiency and less biased ATT estimates compared to state-of-the-art algorithms. Empirical evaluations demonstrate the proposed method's practical advantages over existing techniques in causal inference scenarios.

Municipal solid waste incineration (MSWI) converts urban waste to energy but simultaneously emits carbon dioxide, carbon monoxide and multiple regulated air pollutants whose formation is tightly coupled within a single combustion system. Controlling these emissions across a network of diverse facilities poses a fundamentally different challenge from optimising a single plant: data-driven models trained at one site capture local statistical patterns that rarely survive transfer to another, because they lack the physical constraints and regime-level structure needed to generalise. Here we show that shared emission-control relationships can be identified across heterogeneous MSWI plants when physical conservation laws, operating-regime heterogeneity and carbon-pollutant coupling are treated jointly. We develop a carbon-pollutant mixture-of-experts (CPMoE) model that routes process observations through regime-specific expert networks under conservation-based regularisation, and combine it with physics-informed transfer learning to adapt a reference model to new facilities. Across 13 plants, CPMoE predicts six major pollutants and a composite system-level risk index with source-domain R2 of 0.668-0.904 and 0.666-0.970, respectively; after transfer to 12 target plants these values remain 0.661-0.842 and 0.610-0.841. Expert-utilisation patterns show that adaptation proceeds through structured regime re-weighting rather than re-learning from scratch. Embedding the transferred model in an offline digital twin and screening candidate operating adjustments against historical process records yields consistent risk-index reductions of 3.6-6.3% with simultaneous pollutant co-reductions in 94-100% of evaluated samples. These findings suggest a practical route toward transferable, system-level decision support for carbon-pollutant co-control in heterogeneous waste-to-energy networks.

Physics-informed neural networks (PINNs) approximate solutions of partial differential equations (PDEs) by embedding physical laws into the loss function. In parameterized PDE families, variations in coefficients or boundary/initial conditions define distinct tasks. This makes training individual PINNs for each task computationally prohibitive, while cross-task transfer can be sensitive to task heterogeneity. While meta-learning can reduce retraining cost, existing methods often rely on a single global initialization and may suffer from negative transfer, particularly under feature-scarce coordinate inputs and limited training-task availability. We propose the Learning-Affinity Adaptive Modular Physics-Informed Neural Network (LAM-PINN), a compositional framework that leverages task-specific learning dynamics. LAM-PINN combines PDE parameters with learning-affinity metrics from brief transfer sessions to construct a task representation and cluster tasks even with coordinate-only inputs. It decomposes the model into cluster-specialized subnetworks and a shared meta network, and learns routing weights to selectively reuse modules instead of relying on a single global initialization. Across three PDE benchmarks, LAM-PINN achieves an average 19.7-fold reduction in mean squared error (MSE) on unseen tasks using only 10% of the training iterations required by conventional PINNs. These results indicate its effectiveness for generalization to unseen configurations within bounded design spaces of parameterized PDE families in resource-constrained engineering settings.

Neural operators have emerged as powerful data-driven surrogates for learning solution operators of parametric partial differential equations (PDEs). However, widely used Fourier Neural Operators (FNOs) rely on global Fourier representations, which can be inefficient for resolving anisotropic structures, sharp gradients, and spatially localized discontinuities that arise in shock-dominated and multiscale regimes. To address these limitations, we introduce the Shearlet Neural Operator (SNO), a neural operator architecture that replaces the Fourier transform with a shearlet-based representation. Shearlets offer directional, multiscale, and spatially localized atoms with near-optimal sparse approximation of anisotropic features, providing an inductive bias aligned with PDE solutions containing edges, fronts, and shocks. SNO learns in the shearlet domain and reconstructs predictions via the inverse transform, retaining efficient spectral computation while improving locality and directional selectivity. Across seven benchmark PDE families, including strongly anisotropic advection, anisotropic diffusion, and nonlinear conservation laws with straight, curved, interacting, spiral, and polygonal shock structures, SNO consistently improves predictive accuracy and feature fidelity over FNO baselines, with the largest gains observed in anisotropic and discontinuity-dominated settings.

Neural architectures trained with losses inspired by differential conditions are the basis for PINN models. Since many constructions in differential geometry may be framed as minimisation of a differential functional, these functionals can be coded as loss functions to align the AI loss-minimisation goal with that of solving the geometric problem. This contribution to the Recent Progress in Computational String Geometry workshop proceedings introduces the PINN architecture defining principles, motivates how they are well suited for problems in differential geometry, and demonstrates their use via summaries of three works at this intersection.

Randomized neural networks (RaNNs) are attractive for partial differential equations (PDEs) because they replace expensive end-to-end training with a linear least-squares solve over randomized hidden features. Their practical performance, however, depends strongly on the sampling distribution of the hidden-layer parameters, which is usually chosen heuristically and problem by problem. This distribution sensitivity is a central bottleneck in randomized neural PDE solvers. In this work, we propose Adaptive-Distribution Randomized Neural Networks (AD-RaNN), a framework that promotes randomized feature generation from a fixed heuristic choice to a low-dimensional adaptive optimization problem. Instead of training all hidden weights and biases, AD-RaNN parameterizes the hidden-feature sampling distribution by a low-dimensional vector p and optimizes only p, thereby preserving the least-squares structure of RaNNs while reducing manual distribution tuning. The method uses a two-stage strategy: ridge-regularized reduced training for stable distribution-parameter optimization, followed by an unregularized least-squares refit for final solution recovery. We develop two adaptive mechanisms, PDE-Driven Adaptive Distribution (PDAD) and Data-Driven Adaptive Distribution (DDAD), and deploy them in space-time solvers, discrete-time solvers, and operator-learning models. We also incorporate an adaptive layer-growth enhancement for localized structures. For the reduced optimization problem, we establish well-posedness of the reduced objectives, consistency of ridge-regularized minimizers, an efficient gradient formula, and a practical lower-bound estimate for the ridge parameter. Numerical experiments on benchmark problems show that AD-RaNN provides an effective distribution-level adaptation mechanism, reduces reliance on hand-crafted hidden-feature distributions, and achieves strong empirical accuracy.

Multi-scale dynamic wake modeling and prediction are essential for the real-time control and optimization of floating offshore wind turbines (FOWTs). In this study, wakes of FOWTs under coupled surge and pitch motions across a range of Strouhal numbers (St), which can induce wake meandering, are modeled via two novel deep-learning frameworks: physics-informed neural networks (PINNs) and Fourier neural operators (FNOs). The high-fidelity dataset is obtained from large-eddy simulations with the actuator line model (LES-AL). The results demonstrate that the dominant large-scale dynamic structures, such as meandering, can be well modeled by both frameworks; however, FNOs exhibit significant advantages over the PINN model in terms of efficiency (8-fold computational speedup and 40-fold faster convergence), long-term predictive capability, and multi-scale coherent structural fidelity. Furthermore, the wakes predicted by the PINN model exhibit a smoothing effect that limits the resolution of high-frequency coherent structures and underestimates turbulent fluctuations in both the wake center and half-width. Spectral analysis reveals that FNOs resolve the primary meandering frequency (where Stp denotes the frequency induced by the coupled surge and pitch motions), its corresponding higher-order harmonics (2Stp, 3Stp), and the energy cascade. In contrast, the energy cascade in the PINN predictions dissipates more rapidly in the high-frequency regime (St > 1.0). Additionally, the pre-multiplied power spectral density indicates that the energy contained in meandering and the corresponding harmonic frequencies modeled by PINNs is relatively low compared to that in CFD and FNOs. These findings suggest that FNOs are promising for the high-fidelity, real-time modeling of FOWT wakes.

Scientific measurements are often bottlenecked by suboptimal conditions, whether that be noise, incomplete spatial coverage, or limited resolution, rendering accurate field reconstruction a difficult task. We introduce LatentPDE, a latent diffusion framework designed to simultaneously resolve sparse-observation reconstruction and super-resolution. While existing physics-guided diffusion models typically rely on soft loss penalties or uninterpretable representations, our approach enforces physical compliance by constructing an inherently interpretable latent space. Specifically, we parameterize the latent variables directly as the coefficients and source terms of an assumed governing PDE. In doing so, LatentPDE is able to reliably reconstruct dynamics across highly disparate and structured data gaps. Empirical results on diverse configurations demonstrate that our model achieves high-fidelity recovery at any desired resolution while also tracking the underlying predictive uncertainty.

Autonomous neutron spectroscopy must solve three distinct tasks: detection (where is the signal?), inference (which Hamiltonian governs it?), and refinement (what are the parameters?). No single controller solves all three equally well. We present TAS-AI, a hybrid agnostic-to-physics-informed framework for autonomous triple-axis spin-wave spectroscopy that separates these tasks explicitly. In blind reconstruction benchmarks, model-agnostic methods such as random sampling, coarse grids, and Gaussian-process mappers reach a global error threshold more reliably and with fewer measurements than physics-informed planning, supporting the claim that discovery and inference are distinct tasks requiring distinct controllers. Once signal structure is localized, the physics-informed stage performs in-loop Hamiltonian discrimination and parameter refinement: in a controlled square-lattice test between nearest-neighbor-only and J1-J2 Hamiltonians, TAS-AI reaches a decisive AIC-derived evidence ratio (>100) in fewer than 10 measurements, while motion-aware scheduling cuts wall-clock time by 32% at a fixed measurement budget. We also identify a failure mode of posterior-weighted design, algorithmic myopia, in which the planner over-refines the current leading model while under-sampling low-intensity falsification probes. A constrained falsification channel sharply reduces time spent committed to the wrong model and accelerates correct model selection without modifying the Bayesian inference engine. In controlled two-model ablations, both a deterministic top-two max-disagreement rule and an LLM-based audit committee achieve this gain under identical constraints. We demonstrate the full workflow in silico using a high-fidelity digital twin and provide an open-source Python implementation.

Despite the Transformer's dominance across machine learning, its architecture remains largely heuristic and lacks a unified theoretical foundation. We introduce Score-based Variational Flow (SVFlow), a continuous-time dynamical system for representation learning in which the state evolves according to a variational posterior-weighted average of conditional log-likelihood scores, and provide a principled basis for regularization through variational consistency. We show that forward Euler discretization of spherical SVFlow exactly recovers the Transformer architecture. Multi-head attention approximates SVFlow vector field via a vMF kernel-smoothed posterior, while MoE/FFN approximates it in a relaxed network-based way, and the residual-normalization block implements a relaxed retraction that maintains spherical geometry. This unification explains why attention trains stably without explicit regularization while MoE requires auxiliary balancing losses. Experiments on pre-trained language models with prefix shuffling show that SVFlow-induced metrics correlate with task performance, reveal depth-dependent sensitivity, and reflect the intrinsic dynamics of attention.

Speckle noise severely limits the quality of images acquired from coherent imaging systems such as Synthetic Aperture Radar (SAR) and medical ultrasound. Traditional second-order PDE-based despeckling approaches, although popular, often introduce staircase artifacts and blur fine details. To overcome these limitations, we present a nonlinear, fourth-order coupled hyperbolic-parabolic PDE model that effectively reduces noise while preserving the structure. The framework consists of two evolution equations: one governing fourth-order diffusion for effective speckle reduction and smooth intensity transitions, and another refining an edge indicator to protect textures and structural features. The diffusion coefficient is adaptively constructed using both the image intensity variable u and a grayscale-based indicator function, ensuring structure-aware denoising while avoiding blocky artifacts and preserving fine details. We also prove the existence of a weak solution to the proposed model by applying Schauder fixed-point theorem. A finite-difference scheme with Gauss Seidel iteration is employed for efficient implementation. We compare the proposed model with the existing coupled second-order PDE model (HPCPDE) and the fourth-order telegraph diffusion model (TDFM). The results show that our model consistently outperforms these approaches. Experiments on standard grayscale images, real SAR and ultrasound data, as well as speckle-corrupted color images, demonstrate that the proposed method achieves superior performance over conventional PDE-based techniques in terms of PSNR, MSSIM, and Speckle Index.

Partial Differential Equation (PDE)-based approaches have gained significant attention in image despeckling due to their strong capability to preserve structural details while suppressing noise. However, conventional second-order PDE models tend to generate blocky artifacts, whereas higher-order models often introduce speckle patterns. To resolve it, this paper proposes and comparatively analyzes two advanced PDE-based frameworks designed for speckle noise suppression while preserving the fine edges. The first model introduces a novel weighted formulation that combines second and fourth-order PDEs through a weighting parameter. The second-order diffusion coefficient employs grayscale and gradient-based indicators, while the fourth-order term is guided solely by a Laplacian-based indicator. The second model constructs a coupled PDE framework, where independent fourth and second-order components are explicitly solved in an iterative manner. In this coupled structure, each diffusion coefficient is defined separately to enhance adaptability in varying image regions. Both models are implemented using the explicit finite difference method. The proposed techniques are extensively evaluated on a variety of datasets, including standard grayscale, color, Synthetic Aperture Radar (SAR), and ultrasound images. Comparative experiments with the existing Telegraph Diffusion Model (TDM) and Fourth-Order Telegraph Diffusion Model (TDFM) demonstrate the superiority of the proposed approaches in reducing speckle noise while effectively preserving fine image structures and edges. Quantitative evaluations using PSNR, SSIM and Speckle Index metrics confirm that the proposed models produce higher image quality and enhanced visual perception. Overall, the presented PDE-based formulations provide a reliable and efficient framework for image despeckling in both natural and medical imaging.

Gaussian basis functions provide an efficient and flexible alternative to spline activations in KANs. In this work, we introduce the partition-of-unity Gaussian KAN (PU-GKAN), a Shepard-type normalized Gaussian KAN in which the Gaussian basis values on each edge are divided by their local sum over fixed centers. This produces a partition-of-unity feature map with trainable coefficients, while preserving the standard edge-based KAN structure. The normalized construction gives exact constant reproduction at the edge level and admits an explicit finite-feature kernel interpretation. We formulate both the standard Gaussian KAN (GKAN) and PU-GKAN from a finite-feature and additive-kernel viewpoint, making the induced layer kernels and empirical feature matrices explicit. Using the first-layer feature matrix as the reference object, we adopt a practical scale-selection interval for $ε$, with the lower endpoint determined by adjacent-center overlap and the upper endpoint determined by a conservative conditioning threshold. Numerical experiments show that PU-GKAN reduces sensitivity to $ε$, improves validation accuracy for most smooth and moderately non-smooth targets, and gives more stable training behavior. The benefit persists across sample-size and center-number sweeps, higher-dimensional architectures, Matérn RBF bases, and physics-informed examples involving Helmholtz and wave equations. These results indicate that Shepard-type partition-of-unity normalization is a simple and effective stabilization mechanism for RBF-based KANs.

In real-world scenarios, image defogging is an inverse problem due to unknown scene depth, atmospheric scattering, and the common absence of ground truth . To resolve the issue, we propose a hybrid defogging model that integrates a fourth-order nonlinear PDE with a physical haze formation model. We used Dark Channel Prior to estimate atmospheric parameters and to generate a guidance image, while the final restoration is performed via a fourth-order PDE-based evolution. A fourth-order PDE of the type telegraph is then evolved, incorporating an edge-adaptive diffusion coefficient and a fidelity term weighted by the transmission map. Fourth-order diffusion effectively suppresses haze while preserving structural details, and the hyperbolic formulation improves numerical stability and convergence behavior. We use relative error norm criteria for the convergence of our PDE. The proposed method is compared with Dark Channel prior, modified Dark Channel prior, and variational-based single-image defogging techniques. When we have ground truth available, we use MSE and SSIM for quantitative evaluation, whereas no-reference metrics, including FADE, Contrast Restoration Index, Average Gradient, and Entropy, are applied to real-world foggy images. Experimental results demonstrate that the proposed hybrid PDE-based method provides comparable visual quality and maintains structural details.