Physics-Informed ML

Physics-aware recurrent convolutional networks (PARC) have demonstrated strong performance in predicting nonlinear spatiotemporal dynamics by embedding differential operators directly into the computational graph of a neural network. However, pixel-based convolutions are restricted to static, uniform Cartesian grids, making them ill-suited to following evolving localized structures in an efficient manner. Graph neural networks (GNNs) naturally handle irregular spatial discretizations, but existing graph-based physics-aware deep learning (PADL) methods have difficulty handling extreme nonlinear regimes. To address these limitations, we propose Graph PARC (G-PARC), which uses moving least squares (MLS) kernels to approximate spatial derivatives on unstructured graphs, and embeds the derivatives of governing partial differential equations into the network's computational graph. G-PARC achieves better accuracy with 2-3x fewer parameters than MeshGraphNet, MeshGraphKAN, and GraphSAGE, replacing the traditional encoder-processor-decoder framework with analytically computed differential operators. We demonstrate that G-PARC (1) generalizes across nonuniform spatial and temporal discretizations; (2) handles moving meshes required for structural deformation; and (3) outperforms existing graph-based PADL methods on nonlinear benchmarks including fluvial hydrology, planar shock waves, and elastoplastic dynamics. By embedding explicit physical operators within the flexibility of GNNs, G-PARC enables accurate modeling of extreme nonlinear phenomena on complex computational domains, moving PADLbeyond idealized Cartesian grids.

We explore the possibility of solving Partial Differential Equations (PDEs) using discrete weak formulations. We propose a programming environment for defining a discrete computational domain, introducing discrete functions defined over a set of points, constructing discrete inner products, and introducing discrete weak formulations employing Kronecker delta test functions. Building on this setup, we propose a discrete neural network representation, training the solution function defined over a discrete set of points and employing discrete finite difference derivatives in the automatic differentiation procedures. As a challenging computational model example, we focus on Stokes equations in two-dimensions, defined over a discrete set of points. We train the solution using the discrete weak residual and the Adamax algorithm with discrete automatic differentiation of the discrete gradients. Despite introducing the python environment, we also provide a rigorous mathematical formulation based on discrete weak formulations, proving the well-posedness and robustness of the loss function. The solution of the discrete weak formulations is based on neural network training employing a robust loss function that is related to the true error. In this way, we have a robust control of the numerical error during the training of the neural networks. Besides the Stokes formulation, we also explain the functionality of the proposed library using the Laplace problem formulation.

Nonlinear system identification must balance physical interpretability with model flexibility. Classical methods yield structured, control-relevant models but rely on rigid parametric forms that often miss complex nonlinearities, whereas Neural ODEs are expressive yet largely black-box. Physics-Informed Neural Networks (PINNs) sit between these extremes, but inverse PINNs typically assume a known governing equation with fixed coefficients, leading to identifiability failures when the true dynamics are unknown or state-dependent. We propose \textbf{SOLIS}, which models unknown dynamics via a \emph{state-conditioned second-order surrogate model} and recasts identification as learning a Quasi-Linear Parameter-Varying (Quasi-LPV) representation, recovering interpretable natural frequency, damping, and gain without presupposing a global equation. SOLIS decouples trajectory reconstruction from parameter estimation and stabilizes training with a cyclic curriculum and \textbf{Local Physics Hints} windowed ridge-regression anchors that mitigate optimization collapse. Experiments on benchmarks show accurate parameter-manifold recovery and coherent physical rollouts from sparse data, including regimes where standard inverse methods fail.

Physics-Informed Neural Networks (PINNs) often suffer from slow convergence, training instability, and reduced accuracy on challenging partial differential equations due to the anisotropic and rapidly varying geometry of their loss landscapes. We propose a lightweight curvature-aware optimization framework that augments existing first-order optimizers with an adaptive predictive correction based on secant information. Consecutive gradient differences are used as a cheap proxy for local geometric change, together with a step-normalized secant curvature indicator to control the correction strength. The framework is plug-and-play, computationally efficient, and broadly compatible with existing optimizers, without explicitly forming second-order matrices. Experiments on diverse PDE benchmarks show consistent improvements in convergence speed, training stability, and solution accuracy over standard optimizers and strong baselines, including on the high-dimensional heat equation, Gray--Scott system, Belousov--Zhabotinsky system, and 2D Kuramoto--Sivashinsky system.

Accurate temperature estimation of pouch cells with indirect liquid cooling is essential for optimizing battery thermal management systems for transportation electrification. However, it is challenging due to the computational expense of finite element simulations and the limitations of data-driven models. This paper presents a physics-informed machine learning (PIML) framework for the efficient and reliable estimation of steady-state temperature profiles. The PIML approach integrates the governing heat transfer equations directly into the neural network's loss function, enabling high-fidelity predictions with significantly faster convergence than purely data-driven methods. The framework is evaluated on a dataset of varying cooling channel geometries. Results demonstrate that the PIML model converges more rapidly and achieves markedly higher accuracy, with a 49.1% reduction in mean squared error over the data-driven model. Validation against independent test cases further confirms its superior performance, particularly in regions away from the cooling channels. These findings underscore the potential of PIML for surrogate modeling and design optimization in battery systems.

Accurate thermal modeling in metal additive manufacturing (AM) is essential for understanding the process-structure-performance relationship. While prior studies have explored generalization across unseen process conditions, they often require extensive datasets, costly retraining, or pre-training. Generalization across different materials also remains relatively unexplored due to the challenges posed by distinct material-dependent thermal behaviors. This paper introduces a parametric physics-informed neural network (PINN) framework for zero-shot generalization across arbitrary materials without labeled data, retraining, or pre-training. The framework adopts a decoupled parametric PINN architecture that separately encodes material properties and spatiotemporal coordinates, fusing them through conditional modulation to better align with the multiplicative role of material parameters in the governing equation and boundary conditions. Physics-guided output scaling derived from Rosenthal's analytical solution and a hybrid optimization strategy are further incorporated to enhance physical consistency, training stability, and convergence. Experiments on bare plate laser powder bed fusion (LPBF) across diverse metal alloys, including both in-distribution and out-of-distribution cases, demonstrate effective zero-shot generalizability along with superior training efficiency. Specifically, the proposed framework achieved up to a 64.2% reduction in relative L2 error compared to the non-parametric baseline while surpassing its performance within only 4.4% of the baseline training epochs. Ablation studies confirm that the proposed framework's components are broadly applicable to other PINN-based approaches. Overall, the proposed framework provides an efficient and scalable material-agnostic solution for zero-shot thermal modeling, contributing to more flexible and practical deployment in metal AM.

Power System State Estimation (PSSE) converts geographically distributed measurements into the voltage magnitudes and phase angles needed for grid monitoring and control. Learned estimators can perform this mapping rapidly, but model-aware False Data Injection Attacks (FDIAs) may corrupt their inputs while retaining AC plausibility and residual-based stealth. Physics-Informed Neural Networks (PINNs) limit candidate states through power-flow consistency; however, their robustness depends on balancing supervised and physics losses whose scales and gradient contributions evolve during training. This paper proposes a PINN that jointly learns homoscedastic uncertainty parameters and uses them to adapt the two objectives. The formulation assigns trainable log-uncertainties to the active-power, reactive-power, voltage, and angle losses while safeguarding against an underweighted physics objective. The estimator is trained only on clean steady-state data and is evaluated, without adversarial retraining, under baseline state-distortion and stricter residual-profile-matching regimes on the IEEE~118-bus system. Accuracy is measured against the uncompromised system state. Relative to a fixed-weight PINN, dynamic weighting reduces overall Mean Absolute Error (MAE) by $55\%$ while also improving voltage- and angle-estimation accuracy. The results show that learning the physics/data balance from clean data improves robustness to unseen FDIAs.

Enforcing prescribed global integral constraints in mesh-free neural PDE solvers is challenging in high-dimensional domains. Existing projection methods for spatial integrals are often tied to fixed grids or uniform quadrature, which can conflict with randomly sampled physics-informed neural networks (PINNs) and scale poorly with dimension. High-order differential operators also increase reverse-mode automatic differentiation memory costs. We propose Stochastic Dimension Implicit Functional Projection (SDIFP), a quadrature-level framework for enforcing prescribed first and second spatial moments. SDIFP replaces tensor-product nodal projection by a global affine correction of the neural-network output, with two scalar coefficients determined from a weighted quadrature rule. Under positive target variance and nonzero empirical raw variance, this correction is the nearest-point projection, in the weighted quadrature norm, onto the empirical two-moment constraint set. Thus, the prescribed moments are exact for the selected quadrature rule, while continuum errors are quadrature errors of the corrected field. For decomposable high-dimensional linear operators, SDIFP combines affine moment correction with stochastic operator-subset sampling. With independent residual and derivative sampling and conditionally unbiased coefficient-gradient estimation, the resulting estimator is unbiased for the specified quadrature-based residual objective; the shared-subset fast mode is biased in general. SDIFP avoids tensor-product quadrature for moment enforcement, separates forward quadrature evaluation from the reverse-mode graph, and retains pointwise inference efficiency once the affine coefficients are fixed or precomputed.

Autonomous experimental systems are increasingly used in materials research to accelerate scientific discovery, but their performance is often limited by low-quality, noisy data. This issue is especially problematic in data intensive structure-property learning tasks such as Image-to-Spectrum (Im2Spec) and Spectrum-to-Image (Spec2Im) translations, where standard active learning strategies can mistakenly prioritize poor quality measurements. We introduce a gated active learning framework that combines curiosity driven sampling with a physics-informed quality control filter based on Simple Harmonic Oscillator model fits, allowing the system to automatically exclude low fidelity data during acquisition. Evaluations on a pre-acquired dataset of band-excitation piezoresponse spectroscopy (BEPS) data from PbTiO3 thin films with spatially localized noise show that the proposed method outperforms random sampling, standard active learning, and multitask learning strategies. We further deployed the framework in real-time experiments on a separate PbTiO3 thin-film sample with heterogeneous domain structures, demonstrating its effectiveness in autonomous microscopy experiments. Overall, this work supports hybrid autonomy in self-driving labs, where physics-informed quality assessment and active decision making work together for more reliable discovery.

Groundwater represents a key element of the water cycle, yet it exhibits complex and context-dependent relationships that make its modeling challenging. Theory-based models have been the cornerstone of scientific understanding. However, their computational cost, simplifying assumptions, and calibration requirements limit their use. In recent years, data-driven models have emerged as powerful alternatives. In particular, deep learning has proven to be a promising approach for its design flexibility and ability to learn complex relationships directly from the data without requiring extensive domain information. We proposed an attention-based pure deep learning model, named STAINet, to predict weekly groundwater levels in Piedmont (Italy), leveraging both irregular groundwater time series and weather image sequences. To enhance the model's trustworthiness and generalization ability, we merged the theory and data-driven approaches by considering physics-guided strategies to inject the groundwater flow equation into the model. Firstly, we restructured the tail of the architecture to predict the three terms of the governing equation, named the autoregressive, diffusion, and residual components - we thus obtained the PSTAINet-IB. Then, we further injected physics priors by adding loss terms related to the estimated equation components, obtaining the PSTAINet-ILB model. Lastly, we developed the PSTAINet-ILRB by imposing a loss term specific to the residual component, which forces the groundwater recharge to occur within the groundwater body recharge zone, which is identified by domain experts. The models were evaluated both by feeding true lagged values as input and by iterating their own predictions (rollouts) over the whole test set. The PSTAINet-ILB model performed the best, achieving remarkable test performance, and generating equation components in line with domain experts' expectations.

Machine learning models can achieve high predictive accuracy in hydrological applications but often lack physical interpretability. The Mass-Conserving Perceptron (MCP) provides a physics-aware artificial intelligence (AI) framework that enforces conservation principles while allowing hydrological process relationships to be learned from data. In this study, we investigate how progressively embedding physically meaningful representations of hydrological processes within a single MCP storage unit improves predictive skill and interpretability in rainfall-runoff modeling. Starting from a minimal MCP formulation, we sequentially introduce bounded soil storage, state-dependent conductivity, variable porosity, infiltration capacity, surface ponding, vertical drainage, and nonlinear water-table dynamics. The resulting hierarchy of process-aware MCP models is evaluated across 15 catchments spanning five hydroclimatic regions of the continental United States using daily streamflow prediction as the target. Results show that progressively augmenting the internal physical structure of the MCP unit generally improves predictive performance. The influence of these process representations is strongly hydroclimate dependent: vertical drainage substantially improves model skill in arid and snow-dominated basins but reduces performance in rainfall-dominated regions, while surface ponding has comparatively small effects. The best-performing MCP configurations approach the predictive skill of a Long Short-Term Memory benchmark while maintaining explicit physical interpretability. These results demonstrate that embedding hydrological process constraints within AI architectures provides a promising pathway toward interpretable and process-aware rainfall-runoff modeling.

Physics-Informed Neural Networks (PINNs) for high-dimensional and high-order partial differential equations (PDEs) are primarily constrained by the $\mathcal{O}(d^k)$ spatial derivative complexity and the $\mathcal{O}(P)$ memory overhead of backpropagation (BP). While randomized spatial estimators successfully reduce the spatial complexity to $\mathcal{O}(1)$, their reliance on first-order optimization still leads to prohibitive memory consumption at scale. Zeroth-order (ZO) optimization offers a BP-free alternative; however, naively combining randomized spatial operators with ZO perturbations triggers a variance explosion of $\mathcal{O}(1/\varepsilon^2)$, leading to numerical divergence. To address these challenges, we propose the \textbf{S}tochastic \textbf{D}imension-free \textbf{Z}eroth-order \textbf{E}stimator (\textbf{SDZE}), a unified framework that achieves dimension-independent complexity in both space and memory. Specifically, SDZE leverages \emph{Common Random Numbers Synchronization (CRNS)} to algebraically cancel the $\mathcal{O}(1/\varepsilon^2)$ variance by locking spatial random seeds across perturbations. Furthermore, an \emph{implicit matrix-free subspace projection} is introduced to reduce parameter exploration variance from $\mathcal{O}(P)$ to $\mathcal{O}(r)$ while maintaining an $\mathcal{O}(1)$ optimizer memory footprint. Empirical results demonstrate that SDZE enables the training of 10-million-dimensional PINNs on a single NVIDIA A100 GPU, delivering significant improvements in speed and memory efficiency over state-of-the-art baselines.

Recent advances in real-time interactive text-driven motion generation have enabled humanoids to perform diverse behaviors. However, kinematics-only generators often exhibit physical hallucinations, producing motion trajectories that are physically infeasible to track with a downstream motion tracking controller or unsafe for real-world deployment. These failures often arise from the lack of explicit physics-aware objectives for real-robot execution and become more severe under out-of-distribution (OOD) user inputs. Hence, we propose SafeFlow, a text-driven humanoid whole-body control framework that combines physics-guided motion generation with a 3-Stage Safety Gate driven by explicit risk indicators. SafeFlow adopts a two-level architecture. At the high level, we generate motion trajectories using Physics-Guided Rectified Flow Matching in a VAE latent space to improve real-robot executability, and further accelerate sampling via Reflow to reduce the number of function evaluations (NFE) for real-time control. The 3-Stage Safety Gate enables selective execution by detecting semantic OOD prompts using a Mahalanobis score in text-embedding space, filtering unstable generations via a directional sensitivity discrepancy metric, and enforcing final hard kinematic constraints such as joint and velocity limits before passing the generated trajectory to a low-level motion tracking controller. Extensive experiments on the Unitree G1 demonstrate that SafeFlow outperforms diffusion- and retargeting-based baselines in success rate, physical compliance, and inference speed while preserving motion diversity, with consistent gains across three downstream tracking controllers.

We present a numerical framework for the stability and bifurcation analysis of nonlinear partial differential equations (PDEs) in which the solutions are sought in the function space spanned by physics-informed random projection neural networks (PI-RPNNs), and discretized via a collocation approach. These are shallow, single-hidden-layer networks with randomly sampled and fixed a priori hidden-layer weights; only the linear output layer weights are optimized, reducing training to a single least-squares solve. This linear output structure enables the explicit generalized eigenvalue formulation governing the linear stability of stationary solutions, separating the physical domain interior dynamics from the algebraic constraints imposed by boundary conditions (BCs), at no additional training cost and without requiring additional PDE solves. However, the random projection collocation matrix is inherently numerically rank-deficient, rendering naive eigenvalue computation unreliable and contaminating the true eigenvalue spectrum with spurious near-zero modes. To overcome this limitation, we introduce a matrix-free shift-invert Krylov-Arnoldi method that operates directly in weight space, avoiding explicit inversion of the numerically rank-deficient collocation matrix and enabling the reliable computation of several leading eigenpairs of the physical Jacobian - the discretized Frechet derivative of the PDE operator with respect to the solution field, whose eigenvalue spectrum determines linear stability. We further prove that the PI-RPNN-based generalized eigenvalue problem is almost surely regular, guaranteeing solvability with standard eigensolvers, and that the singular values of the random projection collocation matrix decay exponentially for analytic activation functions, rigorously explaining the observed ill-conditioning.

Porous materials -- natural or engineered -- often exhibit dual pore-network structures that govern processes such as mineral exploration and hydrocarbon recovery from tight shales. Double porosity/permeability (DPP) mathematical models describe incompressible fluid flow through two interacting pore networks with inter-network mass exchange. Despite significant advances in numerical methods, there remains a need for computational frameworks that enable rapid forecasting, data assimilation, and reliable inverse analysis. To address this, we present a physics-informed neural network (PINN) framework for forward and inverse modeling of DPP systems. The proposed approach encodes the governing equations in mixed form, along with boundary conditions, directly into the loss function, with adaptive weighting strategies to balance their contributions. Key features of the framework include adaptive weight tuning, dynamic collocation point selection, and the use of shared trunk neural architectures to efficiently capture the coupled behavior of the dual pore networks. It is inherently mesh-free, making it well-suited for complex geometries typical of porous media. It accurately captures discontinuities in solution fields across layered domains without introducing spurious oscillations commonly observed in classical finite element formulations. Importantly, the framework is well-suited for inverse analysis, enabling robust parameter identification in scenarios where key physical quantities -- such as the mass transfer coefficient in DPP models -- are difficult to measure directly. In addition, a systematic convergence analysis is provided to rigorously assess the stability, accuracy, and reliability of the method. The effectiveness and computational advantages of the approach are demonstrated through a series of representative numerical experiments.

Uncertainty quantification for partial differential equations is traditionally grounded in discretization theory, where solution error is controlled via mesh/grid refinement. Physics-informed neural networks fundamentally depart from this paradigm: they approximate solutions by minimizing residual losses at collocation points, introducing new sources of error arising from optimization, sampling, representation, and overfitting. As a result, the generalization error in the solution space remains an open problem. Our main theoretical contribution establishes generalization bounds that connect residual control to solution-space error. We prove that when neural approximations lie in a compact subset of the solution space, vanishing residual error guarantees convergence to the true solution. We derive deterministic and probabilistic convergence results and provide certified generalization bounds translating residual, boundary, and initial errors into explicit solution error guarantees.

With the advent of system-in-package (SiP) chiplet-based design and heterogeneous 2.5D/3D integration, thermal-induced warpage has become a critical reliability concern. While conventional numerical approaches can deliver highly accurate results, they often incur prohibitively high computational costs, limiting their scalability for complex chiplet-package systems. In this paper, we present WarPGNN, an efficient and accurate parametric thermal warpage analysis framework powered by Graph Neural Networks (GNNs). By operating directly on graphs constructed from the floorplans, WarPGNN enables fast warpage-aware floorplan exploration and exhibits strong transferability across diverse package configurations. Our method first encodes multi-die floorplans into reduced Transitive Closure Graphs (rTCGs), then a Graph Convolution Network (GCN)-based encoder extracts hierarchical structural features, followed by a U-Net inspired decoder that reconstructs warpage maps from graph feature embeddings. Furthermore, to address the long-tailed pattern of warpage data distribution, we developed a physics-informed loss and revised a message-passing encoder based on Graph Isomorphic Network (GIN) that further enhance learning performance for extreme cases and expressiveness of graph embeddings. Numerical results show that WarPGNN achieves more than 205.91x speedup compared with the 2-D efficient FEM-based method and over 119766.64x acceleration with 3-D FEM method COMSOL, respectively, while maintaining comparable accuracy at only 1.26% full-scale normalized RMSE and 2.21% warpage value error. Compared with recent DeepONet-based model, our method achieved comparable prediction accuracy and inference speedup with 3.4x lower training time. In addition, WarPGNN demonstrates remarkable transferability on unseen datasets with up to 3.69% normalized RMSE and similar runtime.

Generalizing neural surrogate models across different PDE parameters remains difficult because changes in PDE coefficients often make learning harder and optimization less stable. The problem becomes even more severe when the model must also predict beyond the training time range. Existing methods usually cannot handle parameter generalization and temporal extrapolation at the same time. Standard parameterized models treat time as just another input and therefore fail to capture intrinsic dynamics, while recent continuous-time latent methods often rely on expensive test-time auto-decoding for each instance, which is inefficient and can disrupt continuity across the parameterized solution space. To address this, we propose Disentangled Latent Dynamics Manifold Fusion (DLDMF), a physics-informed framework that explicitly separates space, time, and parameters. Instead of unstable auto-decoding, DLDMF maps PDE parameters directly to a continuous latent embedding through a feed-forward network. This embedding initializes and conditions a latent state whose evolution is governed by a parameter-conditioned Neural ODE. We further introduce a dynamic manifold fusion mechanism that uses a shared decoder to combine spatial coordinates, parameter embeddings, and time-evolving latent states to reconstruct the corresponding spatiotemporal solution. By modeling prediction as latent dynamic evolution rather than static coordinate fitting, DLDMF reduces interference between parameter variation and temporal evolution while preserving a smooth and coherent solution manifold. As a result, it performs well on unseen parameter settings and in long-term temporal extrapolation. Experiments on several benchmark problems show that DLDMF consistently outperforms state-of-the-art baselines in accuracy, parameter generalization, and extrapolation robustness.

Physics-informed neural networks (PINNs) have shown promise in addressing the ill-posed deconvolution problem in computed tomography perfusion (CTP) imaging for acute ischemic stroke assessment. However, existing PINN-based approaches remain deterministic and do not quantify uncertainty associated with violations of physics constraints, limiting reliability assessment. We propose Evidential Perfusion Physics-Informed Neural Networks (EPPINN), a framework that integrates evidential deep learning with physics-informed modeling to enable uncertainty-aware perfusion parameter estimation. EPPINN models arterial input, tissue concentration, and perfusion parameters using coordinate-based networks, and places a Normal--Inverse--Gamma distribution over the physics residual to characterize voxel-wise aleatoric and epistemic uncertainty in physics consistency without requiring Bayesian sampling or ensemble inference. The framework further incorporates physiologically constrained parameterization and stabilization strategies to promote robust per-case optimization. We evaluate EPPINN on digital phantom data, the ISLES 2018 benchmark, and a clinical cohort. On the evaluated datasets, EPPINN achieves lower normalized mean absolute error than classical deconvolution and PINN baselines, particularly under sparse temporal sampling and low signal-to-noise conditions, while providing conservative uncertainty estimates with high empirical coverage. On clinical data, EPPINN attains the highest voxel-level and case-level infarct-core detection sensitivity. These results suggest that evidential physics-informed learning can improve both accuracy and reliability of CTP analysis for time-critical stroke assessment. Source code is available at https://github.com/jhlee0619/EPPINN.

While Physics-Informed Neural Networks (PINNs) offer a mesh-free approach to solving fluid-flow PDEs, standard point-wise residual minimization suffers from convergence pathologies in topologically complex domains like Triply Periodic Minimal Surfaces (TPMS). The locality bias of point-wise constraints fails to propagate global information through tortuous channels, causing unstable gradients and conservation violations. To address this, we propose the Multi-scale Weak-form PINN (MUSA-PINN), which reformulates Navier-Stokes equation constraints as integral conservation laws over hierarchical spherical control volumes. We enforce continuity and momentum conservation via flux-balance residuals on control surfaces. Our method utilizes a three-scale subdomain strategy-comprising large volumes for long-range coupling, skeleton-aware meso-scale volumes aligned with transport pathways, and small volumes for local refinement-alongside a two-stage training schedule prioritizing continuity. Experiments on steady incompressible flow in TPMS geometries show MUSA-PINN outperforms state-of-the-art baselines, reducing relative errors by up to 93% and preserving mass conservation.

Subsurface ore detection is of paramount importance given the rising depletion of shallow mineral resources in recent years. It is crucial to explore approaches that go beyond the limitations of traditional geological exploration methods. Due to readily available surface readings, joint magnetic and gravitational inversion is a promising new method - given magnetic and gravitational data on a surface, jointly reconstructing the underlying densities that generate them. However, this is ill-posed and has non-unique solutions. Deterministic methods often require handcrafted priors and converge to a single solution and do not capture the distribution, which is often of interest. We introduce a novel framework that reframes 3D gravity and magnetic joint inversion as a rectified flow on the Noddyverse dataset, the largest physics-based dataset for inversion. We introduce a Ginzburg-Landau (GL) regularizer, a generalized version of the Ising model that aids in ore identification, enabling physics-aware training. We also propose a guidance methodology based on GL theory that can be used as a plug-and-play module with existing unconditional denoisers. Lastly, we also train and release a VAE for the 3D densities, which facilitates downstream work in the field.

Physics-Informed Neural Networks (PINNs) incorporate physics into neural networks by embedding partial differential equations (PDEs) into their loss function. Despite their success in learning the underlying physics, PINN models remain difficult to train and interpret. In this work, a novel modeling approach is proposed, which relies on the use of Domain-aware Fourier Features (DaFFs) for the positional encoding of the input space. These features encapsulate all the domain-specific characteristics, such as the geometry and boundary conditions, and unlike Random Fourier Features (RFFs), eliminate the need for explicit boundary condition loss terms and loss balancing schemes, while simplifying the optimization process and reducing the computational cost associated with training. We further develop an LRP-based explainability framework tailored to PINNs, enabling the extraction of relevance attribution scores for the input space. It is demonstrated that PINN-DaFFs achieve orders-of-magnitude lower errors and allow faster convergence compared to vanilla PINNs and RFFs-based PINNs. Furthermore, LRP analysis reveals that the proposed leads to more physically consistent feature attributions, while PINN-RFFs and vanilla PINNs display more scattered and less physics-relevant patterns. These results demonstrate that DaFFs not only enhance PINNs' accuracy and efficiency but also improve interpretability, laying the ground for more robust and informative physics-informed learning.

We present pseudo-differential enhanced physics-informed neural networks (PINNs), an extension of gradient enhancement but in Fourier space. Gradient enhancement of PINNs dictates that the PDE residual is taken to a higher differential order than prescribed by the PDE, added to the objective as an augmented term in order to improve training and overall learning fidelity. We propose the same procedure after application via Fourier transforms, since differentiating in Fourier space is multiplication with the Fourier wavenumber under suitable decay. Our methods are fast and efficient. Our methods oftentimes achieve superior PINN versus numerical error in fewer training iterations, potentially pair well with few/fixed samples in collocation, and can achieve breakthrough rather than gradual effects on the error. Moreover, our methods are suitable for fractional derivatives. We establish that our methods, due to the dynamical effects, improve spectral eigenvalue decay of the neural tangent kernel (NTK), and so our methods contribute towards the learning of high frequencies in early training, mitigating the effects of frequency bias up to the polynomial order and possibly greater with smooth activations. In particular, our primary contribution can be characterized as gradient enhancement affects spectral bias, and we specialize to Fourier space, although our theory does not prove the ambient case exactly due to a result with the Plancherel theorem on the descent paths. Our methods accommodate advanced techniques in PINNs, such as Fourier feature embeddings. A pitfall of discrete Fourier transforms via the Fast Fourier Transform (FFT) is mesh subjugation, and so we demonstrate compatibility of our methods for greater mesh flexibility and invariance on alternative Euclidean and non-Euclidean domains via Monte Carlo methods and otherwise, although possessing trade-offs of their own.

We propose a physics-informed consistency modeling framework for solving partial differential equations (PDEs) via fast, few-step generative inference. We identify a key stability challenge in physics-constrained consistency training, where PDE residuals can drive the model toward trivial or degenerate solutions, degrading the learned data distribution. To address this, we introduce a structure-preserving two-stage training strategy that decouples distribution learning from physics enforcement by freezing the coefficient decoder during physics-informed fine-tuning. We further propose a two-step residual objective that enforces physical consistency on refined, structurally valid generative trajectories rather than noisy single-step predictions. The resulting framework enables stable, high-fidelity inference for both unconditional generation and forward problems. We demonstrate that forward solutions can be obtained via a projection-based zero-shot inpainting procedure, achieving consistent accuracy of diffusion baselines with orders of magnitude reduction in computational cost.

Generating dense physical fields from sparse measurements is a fundamental question in sampling, signal processing, and many other applications. State-of-the-art approaches to this problem either rely on spatial statistics that ignore the governing physics, integrate the physics into a multiple-objective optimization process, or require examples of the complete, fully-resolved simulation state during training, which are frequently unavailable outside of synthetic benchmarks. Here, we present a novel alternative that leverages recent advances in the integration of numerical simulators with data-driven models. Namely, we propose a hybrid modeling pipeline that couples Radial Basis Function (RBF) reconstruction with a Neural Network (NN) correction and a Partial Differential Equation (PDE) solver, so that the numerical simulator itself is embedded directly in the training loop of the learned component. Notably, the NN is trained without assuming availability of examples of the fully-resolved simulation state. This is made possible by implementing the PDE solver so that it is end-to-end differentiable, allowing gradients to be backpropagated through the simulation step during training. This grey-box methodology is evaluated on three standard benchmarks from fluid mechanics, where it achieves superior results over statistical and machine-learning-based reconstruction methods.

The present study investigates the numerical solution of Black-Scholes partial differential equation (PDE) for option valuation with multiple underlying assets. We develop a physics-informed (PI) machine learning algorithm based on a radial basis function neural network (RBFNN) that concurrently optimizes the network architecture and predicts the target option price. The physics-informed radial basis function neural network (PIRBFNN) combines the strengths of the traditional radial basis function collocation method and the physics-informed neural network machine learning approach to effectively solve PDE problems in the financial context. By employing a PDE residual-based technique to adaptively refine the distribution of hidden neurons during the training process, the PIRBFNN facilitates accurate and efficient handling of multidimensional option pricing models featuring non-smooth payoff conditions. The validity of the proposed method is demonstrated through a set of experiments encompassing a single-asset European put option, a double-asset exchange option, and a four-asset basket call option.

Physics-Informed Neural Networks (PINNs) provide a framework for integrating physical laws with data. However, their application to Prognostics and Health Management (PHM) remains constrained by the limited uncertainty quantification (UQ) capabilities. Most existing PINN-based prognostics approaches are deterministic or account only for epistemic uncertainty, limiting their suitability for risk-aware decision-making. This work introduces a heteroscedastic Bayesian Physics-Informed Neural Network (B-PINN) framework that jointly models epistemic and aleatoric uncertainty, yielding full predictive posteriors for spatiotemporal insulation material ageing estimation. The approach integrates Bayesian Neural Networks (BNNs) with physics-based residual enforcement and prior distributions, enabling probabilistic inference within a physics-informed learning architecture. The framework is evaluated on transformer insulation ageing application, validated with a finite-element thermal model and field measurements from a solar power plant, and benchmarked against deterministic PINNs, dropout-based PINNs (d-PINNs), and alternative B-PINN variants. Results show that the proposed B-PINN provides improved predictive accuracy and better-calibrated uncertainty estimates than competing approaches. A systematic sensitivity study further analyzes the impact of boundary-condition, initial-condition, and residual sampling strategies on accuracy, calibration, and generalization, and the influence of measurement noise on aleatoric uncertainty. Overall, the findings highlight the capability of Bayesian physics-informed learning to support uncertainty-aware prognostics and informed decision-making in transformer asset management by tracking aleatoric and epistemic sources of uncertainty.

We revisit the analogy between feed-forward deep neural networks (DNNs) and discrete dynamical systems derived from neural integral equations and their corresponding partial differential equation (PDE) forms. A comparative analysis between the numerical/exact solutions of the Burgers' and Eikonal equations, and the same obtained via PINNs is presented. We show that PINN learning provides a different computational pathway compared to standard numerical discretization in approximating essentially the same underlying dynamics of the system. Within this framework, DNNs can be interpreted as discrete dynamical systems whose layer-wise evolution approaches attractors, and multiple parameter configurations may yield comparable solutions, reflecting the degeneracy of the inverse mapping. In contrast to the structured operators associated with finite-difference (FD) procedures, PINNs learn dense parameter representations that are not directly associated with classical discretization stencils. This distributed representation generally involves a larger number of parameters, leading to reduced interpretability and increased computational cost. However, the additional flexibility of such representations may offer advantages in high-dimensional settings where classical grid-based methods become impractical.

Early lane-change intention prediction is essential for autonomous driving and ADAS, but it remains challenging because lane-changing behavior depends on evolving traffic risk, surrounding-vehicle interactions, and target-lane feasibility rather than only instantaneous vehicle states. This study proposes an evolutionary physics-informed temporal fusion framework for three-class lane-change intention prediction, including left lane change, right lane change, and no lane change. Instead of using static physics-informed variables alone, the proposed method derives temporal descriptors from conventional traffic signals, including risk evolution, gap persistence, counterfactual lane utility, interaction pressure gradient, maneuver feasibility, and intent consistency. These descriptors are fused with temporal embeddings learned from raw trajectory sequences through a sequence encoder, and the fused representation is used for final classification. Experiments are conducted on the highD and exiD datasets under 1,s, 2,s, and 3,s prediction horizons. The proposed model achieves Macro F1-scores of 0.9514, 0.9256, and 0.8872 on highD, and 0.9386, 0.9070, and 0.8531 on exiD, respectively. The improvement is especially pronounced in exiD ramp-adjacent scenarios, indicating that temporal physical evolution is particularly useful in interaction-rich environments. These results demonstrate that combining evolutionary physics-informed descriptors with learned temporal representations provides a more dynamic and interpretable solution for early lane-change intention prediction.

Jet identification plays a central role in analyzing data from high-energy collider experiments. While deep learning has improved jet classification, it often lacks interpretability. We introduce the Kinematic Interaction Graph Network (KIGNet), a graph neural network that integrates kinematic variables into jet classification by constructing four graph representations per jet, each weighted by a distinct variable: angular separation ($Δ$), relative transverse momentum ($k_T$), momentum fraction ($z$), and invariant mass squared ($m^2$). Three of these ($Δ$, $k_T$, $z$) are motivated by the Lund jet plane, grounded in perturbative QCD factorization; the fourth ($m^2$) adds complementary mass-scale sensitivity for heavy-flavor identification. Using Gradient-weighted Class Activation Mapping (Grad-CAM), we determine which variables dominate classification. Angular separation and relative transverse momentum account for about 76% of the total Grad-CAM attribution (40.72% and 35.67%), with momentum fraction and invariant mass contributing the remaining 24%. This hierarchy is consistent with the soft-collinear structure of QCD radiation in the training data, showing that the network learns physically interpretable representations rather than spurious correlations. On the JetClass dataset, KIGNet achieves a macro-accuracy of 95.07%, macro-AUC of 96.61%, and macro-AUPR of 81.52%, relative improvements of 2.45%, 3.40%, and 19.11% over the state-of-the-art baseline. On the Aspen Open Jets dataset of real CMS collision data, KIGNet produces substantially more structured latent representations than the baseline, reducing the Davies-Bouldin Index by 52.15% ($0.8395 \rightarrow 0.4017$) and increasing the Dunn Index by 42.33% ($0.0189 \rightarrow 0.0269$), confirming that physics-informed kinematic encoding generalizes beyond idealized simulation to experimental detector conditions.