Physics-Informed ML

ML: Machine Learning

Latest papers 642

Apr 24, 2026cs.LG

Collocation-based Robust Physics Informed Neural Networks for time-dependent simulations of pollution propagation under thermal inversion conditions on Spitsbergen

In this paper, we propose a Physics-Informed Neural Network framework for time-dependent simulations of pollution propagation originating from moving emission sources. We formulate a robust variational framework for the time-dependent advection-diffusion problem and establish the boundedness and inf-sup stability of the corresponding discrete weak formulation. Based on this mathematical foundation, we construct a robust loss function that is directly related to the true approximation error, defined as the difference between the neural network approximation and the (unknown) exact solution. Additionally, a collocation-based strategy is introduced to speed up neural network training. As a case study, we investigate pollution propagation caused by snowmobile traffic in Longyearbyen, Spitsbergen, supported by detailed in-field measurements collected using dedicated sensors. The proposed framework is applied to analyze the effects of thermal inversion on pollutant accumulation. Our results demonstrate that thermal inversion traps dense and humid air masses near the ground, significantly enhancing particulate matter (PM) concentration and worsening local air quality.
Apr 24, 2026cs.RO

Information-Theoretic Geometry Optimization and Physics-Aware Learning for Calibration-Free Magnetic Localization

Wireless localization of permanent magnets enables occlusion-free guidance for medical interventions, yet its practical accuracy is fundamentally limited by two coupled challenges: the poor observability of conventional planar sensor arrays and the simulation-to-reality (Sim-to-Real) gap of learning-based estimators. To address these issues, this article presents a unified framework that combines information-theoretic sensor geometry optimization with physics-aware deep learning. First, a rigorous Fisher Information Matrix (FIM)-based evaluation framework is established to quantify geometry-induced observability limitations. The results show that a staggered split-array topology provides a substantially stronger observability foundation for localization while remaining compatible with practical external deployment. Second, building on this optimized sensing configuration, we propose Phy-GAANet, a calibration-free estimator trained entirely on hardware-aware synthetic data. By incorporating Physics-Informed Features (PIF) for saturation modeling and Geometry-Aware Attention (GAA) for preserving cross-layer vector structure, the network effectively bridges the Sim-to-Real gap. Extensive real-world experiments demonstrate state-of-the-art performance, achieving a position error of 1.84 mm and an orientation error of 3.18 degrees at a refresh rate exceeding 270 Hz. The proposed method consistently outperforms classical Levenberg--Marquardt solvers and generic convolutional baselines, particularly in suppressing catastrophic outliers and maintaining robustness in challenging near-field boundary regions. Beyond the proposed network, the FIM-guided analysis also provides a framework for sensor geometry design in magnetic localization systems under practical deployment constraints.
Apr 23, 2026cs.LG

Transferable Physics-Informed Representations via Closed-Form Head Adaptation

Physics-informed neural networks (PINNs) have garnered significant interest for their potential in solving partial differential equations (PDEs) that govern a wide range of physical phenomena. By incorporating physical laws into the learning process, PINN models have demonstrated the ability to learn physical outcomes reasonably well. However, current PINN approaches struggle to predict or solve new PDEs effectively when there is a lack of training examples, indicating they do not generalize well to unseen problem instances. In this paper, we present a transferable learning approach for PINNs premised on a fast Pseudoinverse PINN framework (Pi-PINN). Pi-PINN learns a transferable physics-informed representation in a shared embedding space and enables rapid solving of both known and unknown PDE instances via closed-form head adaptation using a least-squares-optimal pseudoinverse under PDE constraints. We further investigate the synergies between data-driven multi-task learning loss and physics-informed loss, providing insights into the design of more performant PINNs. We demonstrate the effectiveness of Pi-PINN on various PDE problems, including Poisson's equation, Helmholtz equation, and Burgers' equation, achieving fast and accurate physics-informed solutions without requiring any data for unseen instances. Pi-PINN can produce predictions 100-1000 times faster than a typical PINN, while producing predictions with 10-100 times lower relative error than a typical data-driven model even with only two training samples. Overall, our findings highlight the potential of transferable representations with closed-form head adaptation to enhance the efficiency and generalization of PINNs across PDE families and scientific and engineering applications.
Apr 23, 2026cs.LG

A Green-Integral-Constrained Neural Solver with Stochastic Physics-Informed Regularization

Standard physics-informed neural networks (PINNs) struggle to simulate highly oscillatory Helmholtz solutions in heterogeneous media because pointwise minimization of second-order PDE residuals is computationally expensive, biased toward smooth solutions, and requires artificial absorbing boundary layers to restrict the solution. To overcome these challenges, we introduce a Green-Integral (GI) neural solver for the acoustic Helmholtz equation. It departs from the PDE-residual-based formulation by enforcing wave physics through an integral representation that imposes a nonlocal constraint. Oscillatory behavior and outgoing radiation are encoded directly through the integral kernel, eliminating second-order spatial derivatives and enforcing physical solutions without additional boundary layers. Theoretically, optimizing this GI loss via a neural network acts as a spectrally tuned preconditioned iteration, enabling convergence in heterogeneous media where the classical Born series diverges. By exploiting FFT-based convolution to accelerate the GI loss evaluation, our approach substantially reduces GPU memory usage and training time. However, this efficiency relies on a fixed regular grid, which can limit local resolution. To improve local accuracy in strong scattering regions, we also propose a hybrid GI+PDE loss, enforcing a lightweight Helmholtz residual at a small number of nonuniformly sampled collocation points. We evaluate our method on seismic benchmark models characterized by structural contrasts and subwavelength heterogeneity at frequencies up to 20Hz. GI-based training consistently outperforms PDE-based PINNs, reducing computational cost by over a factor of ten. In models with localized scattering, the hybrid loss yields the most accurate reconstructions, providing a stable, efficient, and physically grounded alternative.
Apr 22, 2026math.NA

CO2_2 sequestration hybrid solver using isogeometric alternating-directions and collocation-based robust variational physics informed neural networks (IGA-ADS-CRVPINN)

This paper presents the hybrid solver for a CO2CO_2 sequestration problem. The solver uses the IGA-ADS (IsoGeometric Analysis Alternating Directions solver) to compute the saturation scalar field update using the explicit method, and CRVPINN (Collocation-based Robust Variational Physics Informed Neural Networks solver) to compute the pressure scalar field. The study focuses on simulating the physical behavior of CO2CO_2 in porous structures, excluding chemical reactions. The mathematical model is based on Darcy's Law. The CRVPINN is pretrained on the initial pressure configuration, and the time step pressure updates require only 100 iterations of the Adam method per time step. We compare our hybrid IGA-ADS solver, coupled with the CRVPINN method, with a baseline of the IGA-ADS solver coupled with the MUMPS direct solver. Our hybrid solver is over 3 times faster on a single computational node from the ARES cluster of ACK CYFRONET. Future work includes extensive testing, inverse problem solving, and potential application to H2H_2 storage problems.
Apr 22, 2026cs.CV

Physics-Informed Conditional Diffusion for Motion-Robust Retinal Temporal Laser Speckle Contrast Imaging

Retinal laser speckle contrast imaging (LSCI) is a noninvasive optical modality for monitoring retinal blood flow dynamics. However, conventional temporal LSCI (tLSCI) reconstruction relies on sufficiently long speckle sequences to obtain stable temporal statistics, which makes it vulnerable to acquisition disturbances and limits effective temporal resolution. A physically informed reconstruction framework, termed RetinaDiff (Retinal Diffusion Model), is proposed for retinal tLSCI that is robust to motion and requires only a few frames. In RetinaDiff, registration based on phase correlation is first applied to stabilize the raw speckle sequence before contrast computation, reducing interframe misalignment so that fluctuations at each pixel primarily reflect true flow dynamics. From the long registered sequence this step yields a high-quality multiframe tLSCI map that serves only as the reconstruction target, while a motion-corrected contrast prior is computed independently from the few input frames. Next, guided by this prior, a conditional diffusion model performs inverse reconstruction by jointly conditioning on the registered few-frame sequence and the prior. On stable sequences acquired with an in-house retinal LSCI system, RetinaDiff improved SSIM from 0.159 to 0.533, PSNR from 14.83 to 18.06 dB, and FID from 211.50 to 111.55 compared with direct five-frame reconstruction, showing improved structural continuity and statistical stability over representative baselines. The framework also remains effective in a small number of extremely challenging cases, where both the direct five-frame input and the conventional multiframe reconstruction are severely degraded. Overall, this work provides a practical and physically grounded route for reliable retinal tLSCI reconstruction from extremely limited frames. The source code and model weights will be released upon acceptance.
Apr 22, 2026cs.LG

Physics-Enhanced Deep Learning for Proactive Thermal Runaway Forecasting in Li-Ion Batteries

Accurate prediction of thermal runaway in lithium-ion batteries is essential for ensuring the safety, efficiency, and reliability of modern energy storage systems. Conventional data-driven approaches, such as Long Short-Term Memory (LSTM) networks, can capture complex temporal dependencies but often violate thermodynamic principles, resulting in physically inconsistent predictions. Conversely, physics-based thermal models provide interpretability but are computationally expensive and difficult to parameterize for real-time applications. To bridge this gap, this study proposes a Physics-Informed Long Short-Term Memory (PI-LSTM) framework that integrates governing heat transfer equations directly into the deep learning architecture through a physics-based regularization term in the loss function. The model leverages multi-feature input sequences, including state of charge, voltage, current, mechanical stress, and surface temperature, to forecast battery temperature evolution while enforcing thermal diffusion constraints. Extensive experiments conducted on thirteen lithium-ion battery datasets demonstrate that the proposed PI-LSTM achieves an 81.9% reduction in root mean square error (RMSE) and an 81.3% reduction in mean absolute error (MAE) compared to the standard LSTM baseline, while also outperforming CNN-LSTM and multilayer perceptron (MLP) models by wide margins. The inclusion of physical constraints enhances the model's generalization across diverse operating conditions and eliminates non-physical temperature oscillations. These results confirm that physics-informed deep learning offers a viable pathway toward interpretable, accurate, and real-time thermal management in next-generation battery systems.
Apr 21, 2026eess.SP

A Hybrid Windkessel-Neural Approach for Improved Noninvasive Blood Pressure Monitoring

Owing to the recent advancements in wearable devices for health care, the importance of BP estimation without cuffs increases. Cuff technologies are inappropriate for continuous BP measurement due to their inconvenient usage, invasive character, necessity of calibration, large size, and inability to perform long-term monitoring. Normally, the algorithm used for cuffless BP prediction employs machine learning models that operate according to the data-driven approach. However, although they show high numerical accuracy, ML models do not provide any interpretability, resulting in poor physiological validity and clinical applicability. We propose a combination of Windkessel and ML models that incorporates the physical aspects into the latter one. It is performed by reformulating Windkessel into a form that will allow employing ML models. The result is a system of ODEs which can be used in the neural network. Thus, the inclusion of physical constraints improves the data-driven approach by making models consistent with physics, understandable, and robust. For illustration, we apply the described technique using a publicly available MIMIC-II database that we obtain from the UCI Machine Learning Repository.
Apr 20, 2026cs.LG

Physics-Informed Neural Networks for Biological 2D+t2\mathrm{D}{+}t Reaction-Diffusion Systems

Physics-informed neural networks (PINNs) provide a powerful framework for learning governing equations of dynamical systems from data. Biologically-informed neural networks (BINNs) are a variant of PINNs that preserve the known differential operator structure (e.g., reaction-diffusion) while learning constitutive terms via trainable neural subnetworks, enforced through soft residual penalties. Existing BINN studies are limited to 1D+t1\mathrm{D}{+}t reaction-diffusion systems and focus on forward prediction, using the governing partial differential equation as a regulariser rather than an explicit identification target. Here, we extend BINNs to 2D+t2\mathrm{D}{+}t systems within a PINN framework that combines data preprocessing, BINN-based equation learning, and symbolic regression post-processing for closed-form equation discovery. We demonstrate the framework's real-world applicability by learning the governing equations of lung cancer cell population dynamics from time-lapse microscopy data, recovering 2D+t2\mathrm{D}{+}t reaction-diffusion models from experimental observations. The proposed framework is readily applicable to other spatio-temporal systems, providing a practical and interpretable tool for fast analytic equation discovery from data.
Apr 20, 2026math.NA

Physics-Informed Neural Networks: A Didactic Derivation of the Complete Training Cycle

This paper is a step-by-step, self-contained guide to the complete training cycle of a Physics-Informed Neural Network (PINN) -- a topic that existing tutorials and guides typically delegate to automatic differentiation libraries without exposing the underlying algebra. Using a first-order initial value problem with a known analytical solution as a running example, we walk through every stage of the process: forward propagation of both the network output and its temporal derivative, evaluation of a composite loss function built from the ODE residual and the initial condition, backpropagation of gradients -- with particular attention to the product rule that arises in hidden layers -- and a gradient descent parameter update. Every calculation is presented with explicit, verifiable numerical values using a 1-3-3-1 multilayer perceptron with two hidden layers and 22 trainable parameters. From these concrete examples, we derive general recursive formulas -- expressed as sensitivity propagation relations -- that extend the gradient computation to networks of arbitrary depth, and we connect these formulas to the automatic differentiation engines used in practice. The trained network is then validated against the exact solution, achieving a relative L2L^2 error of 4.290×10−44.290 \times 10^{-4} using only the physics-informed loss, without any data from the true solution. A companion Jupyter/PyTorch notebook reproduces every manual calculation and the full training pipeline, providing mutual validation between hand-derived and machine-computed gradients.
Apr 20, 2026cs.LG

Scalable Physics-Informed Neural Differential Equations and Data-Driven Algorithms for HVAC Systems

We present a scalable, data-driven simulation framework for large-scale heating, ventilation, and air conditioning (HVAC) systems that couples physics-informed neural ordinary differential equations (PINODEs) with differential-algebraic equation (DAE) solvers. At the component level, we learn heat-exchanger dynamics using an implicit PINODE formulation that predicts conserved quantities (refrigerant mass MrM_r and internal energy EhxE_\text{hx}) as outputs, enabling physics-informed training via automatic differentiation of mass/energy balances. Stable long-horizon prediction is achieved through gradient-stabilized latent evolution with gated architectures and layer normalization. At the system level, we integrate learned components with DAE solvers (IDA and DASSL) that explicitly enforce junction constraints (pressure equilibrium and mass-flow consistency), and we use Bayesian optimization to tune solver parameters for accuracy--efficiency trade-offs. To reduce residual system-level bias, we introduce a lightweight corrector network trained on short trajectory segments. Across dual-compressor and scaled network studies, the proposed approach attains multi-fold speedups over high-fidelity simulation while keeping errors low (MAPE below a few percent) and scales to systems with up to 16 compressor-condenser pairs.
Apr 20, 2026cs.LG

Dissipative Latent Residual Physics-Informed Neural Networks for Modeling and Identification of Electromechanical Systems

Accurate dynamical modeling is essential for simulation and control of embodied systems, yet first-principles models of electromechanical systems often fail to capture complex dissipative effects such as joint friction, stray losses, and structural damping. While residual-learning physics-informed neural networks (PINNs) can effectively augment imperfect first-principles models with data-driven components, the residual terms are typically implemented as unconstrained multilayer perceptrons (MLPs), which may inadvertently inject artificial energy into the system. To more faithfully model the dissipative dynamics, we propose DiLaR-PINN, a dissipative latent residual PINN designed to learn unmodeled dissipative effects in a physically consistent manner. Structurally, the residual network operates only on unmeasurable (latent) state components and is parameterized in a skew-dissipative form that guarantees non-increasing energy for any choice of network parameters. To enable stable and data-efficient training under partial measurability of the state, we further develop a recurrent rollout scheme with a curriculum-based sequence length extension strategy. We validate DiLaR-PINN on a real-world helicopter system and compare it against four baselines: a pure physical model (without a residual network), an unstructured residual MLP, a DiLaR variant with a soft dissipativity constraint, and a black-box LSTM. The results demonstrate that DiLaR-PINN more accurately captures dissipative effects and achieves superior long-horizon extrapolation performance.
Apr 19, 2026cs.LG

Machine Learning Hamiltonian Dynamical Systems with Sparse and Noisy Data

Machine learning has become a powerful tool for discovering governing laws of dynamical systems from data. However, most existing approaches degrade severely when observations are sparse, noisy, or irregularly sampled. In this work, we address the problem of learning symbolic representations of nonlinear Hamiltonian dynamical systems under extreme data scarcity by explicitly incorporating physical structure into the learning architecture. We introduce Adaptable Symplectic Recurrent Neural Networks (ASRNNs), a parameter-cognizant, structure-preserving model that combines Hamiltonian learning with symplectic recurrent integration, avoiding time derivative estimation, and enabling stable learning under noise. We demonstrate that ASRNNs can accurately predict long-term dynamics even when each training trajectory consists of only two irregularly spaced time points, possibly corrupted by correlated noise. Leveraging ASRNNs as structure-preserving data generators, we further enable symbolic discovery using independent regression methods (SINDy and PySR), recovering exact symbolic equations for polynomial systems and consistent polynomial approximations for non-polynomial Hamiltonians. Our results show that such architectures can provide a robust pathway to interpretable discovery of Hamiltonian dynamics from sparse and noisy data.
Apr 19, 2026cs.LG

What Physics do Data-Driven MoCap-to-Radar Models Learn?

Data-driven MoCap-to-radar models generate plausible micro-Doppler spectrograms, but do they actually learn the underlying physics? We introduce a physics-based interpretability framework to answer this question via two proposed complementary metrics: one measures alignment between model predictions and the physics-derived Doppler frequency, while the other tests whether predictions preserve the velocity-frequency relationship under velocity intervention. Both metrics require only MoCap input and model predictions, without access to measured radar data. Experiments across several model architectures reveal that low reconstruction error does not guarantee physical consistency: some, but not all, models achieve low error yet perform poorly on the two physics-based metrics. Further analysis shows that temporal attention is critical for transformer-based models to learn the underlying physics.
Apr 18, 2026cs.LG

Uncertainty Quantification in PINNs for Turbulent Flows: Bayesian Inference and Repulsive Ensembles

Physics-informed neural networks (PINNs) have emerged as a promising framework for solving inverse problems governed by partial differential equations (PDEs), including the reconstruction of turbulent flow fields from sparse data. However, most existing PINN formulations are deterministic and do not provide reliable quantification of epistemic uncertainty, which is critical for ill-posed problems such as data-driven Reynolds-averaged Navier-Stokes (RANS) modeling. In this work, we develop and systematically evaluate a set of probabilistic extensions of PINNs for uncertainty quantification in turbulence modeling. The proposed framework combines (i) Bayesian PINNs with Hamiltonian Monte Carlo sampling and a tempered multi-component likelihood, (ii) Monte Carlo dropout, and (iii) repulsive deep ensembles that enforce diversity in function space. Particular emphasis is placed on the role of ensemble diversity and likelihood tempering in improving uncertainty calibration for PDE-constrained inverse problems. The methods are assessed on a hierarchy of test cases, including the Van der Pol oscillator and turbulent flow past a circular cylinder at Reynolds numbers Re=3,900 (direct numerical simulation data) and Re = 10,000 (experimental particle image velocimetry data). The results demonstrate that Bayesian PINNs provide the most consistent uncertainty estimates across all inferred quantities, while function-space repulsive ensembles offer a computationally efficient approximation with competitive accuracy for primary flow variables. These findings provide quantitative insight into the trade-offs between accuracy, computational cost, and uncertainty calibration in physics-informed learning, and offer practical guidance for uncertainty quantification in data-driven turbulence modeling.
Apr 18, 2026cs.CV

Physics-Informed Tracking (PIT)

We propose Physics-Informed Tracking (PIT), a video-based framework for tracking a single particle from video, where a neural network autoencoder localizes a particle as a heatmap peak (landmark) and a differentiable physics module embedded in the autoencoder constrains several landmarks over time (a trajectory) to satisfy known dynamics. The novel Physics-Informed Landmark Loss (PILL) compares this predicted trajectory back against the landmarks, enforcing physical consistency without labels. Its supervised variant (PILLS) instead compares the prediction against ground-truth position, velocity, and bounce from simulation, enabling end-to-end backpropagation. To support supervised and unsupervised learning, we use an autoencoder with a split bottleneck that separates A) tracking-related structure via landmark heatmaps from B) background noise and subsequent image reconstruction. We evaluate a replicated 26 factorial design (n = 4 replicates, 64 configurations), showing that PILLS consistently achieves sub-pixel tracking accuracy for the bilinear and physics-refined decoder outputs under both clean and noisy conditions.
Apr 18, 2026math.NA

Singularity Formation: Synergy in Theoretical, Numerical and Machine Learning Approaches

This thesis develops numerical and theoretical approaches for understanding and analyzing singularity formation in Partial Differential Equations (PDEs). The singularity formation in the Navier-Stokes Equation (NSE) is famously challenging as one of the seven Clay Prize problems. Unlike simpler equations such as the Nonlinear Heat (NLH) or Keller-Segel (KS) equations, where formal asymptotics near blowup are better understood, the intrinsic complexity of NSE makes quantitative analytical treatment difficult, if not impossible, without numerical guidance. Building on numerical insights, we introduce a robust analytical framework to simplify and systematize pen-and-paper proofs for simpler singular PDEs. We present a novel approach based on enforcing vanishing modulation conditions for perturbations around approximate blowup profiles, complemented by singularly weighted energy estimates. We demonstrate the efficacy of our method on PDEs with complicated asymptotics, such as NLH and the Complex Ginzburg-Landau (CGL) equation, and address the open problem of singularity formation in the 3D KS equation with logistic damping. We develop and refine numerical approaches that facilitate deeper insights into singularity formation. We demonstrate that machine learning methods significantly enhance our capability to identify and characterize potential blowup solutions with high precision. We improve on existing Physics-Informed Neural Network (PINN) and Neural Operator (NO) frameworks. Moreover, we present a novel machine learning paradigm, the Kolmogorov-Arnold Network (KAN) architecture, whose interpretability and excellent scaling properties are achieved through learnable nonlinearities.
Apr 17, 2026cs.LG

Zero-Shot Scalable Resilience in UAV Swarms: A Decentralized Imitation Learning Framework with Physics-Informed Graph Interactions

Large-scale Unmanned Aerial Vehicle (UAV) failures can split an unmanned aerial vehicle swarm network into disconnected sub-networks, making decentralized recovery both urgent and difficult. Centralized recovery methods depend on global topology information and become communication-heavy after severe fragmentation. Decentralized heuristics and multi-agent reinforcement learning methods are easier to deploy, but their performance often degrades when the swarm scale and damage severity vary. We present Physics-informed Graph Adversarial Imitation Learning algorithm (PhyGAIL) that adopts centralized training with decentralized execution. PhyGAIL builds bounded local interaction graphs from heterogeneous observations, and uses physics-informed graph neural network to encode directional local interactions as gated message passing with explicit attraction and repulsion. This gives the policy a physically grounded coordination bias while keeping local observations scale-invariant. It also uses scenario-adaptive imitation learning to improve training under fragmented topologies and variable-length recovery episodes. Our analysis establishes bounded local graph amplification, bounded interaction dynamics, and controlled variance of the terminal success signal. A policy trained on 20-UAV swarms transfers directly to swarms of up to 500 UAVs without fine-tuning, and achieves better performance across reconnection reliability, recovery speed, motion safety, and runtime efficiency than representative baselines.
Apr 17, 2026cs.NE

Neuromorphic Parameter Estimation for Power Converter Health Monitoring Using Spiking Neural Networks

Always-on converter health monitoring demands sub-mW edge inference, a regime inaccessible to GPU-based physics-informed neural networks. This work separates spiking temporal processing from physics enforcement: a three-layer leaky integrate-and-fire SNN estimates passive component parameters while a differentiable ODE solver provides physics-consistent training by decoupling the ODE physics loss from the unrolled spiking loop. On an EMI-corrupted synchronous buck converter benchmark, the SNN reduces lumped resistance error from 25.8%25.8\% to 10.2%10.2\% versus a feedforward baseline, within the ±10%\pm 10\% manufacturing tolerance of passive components, at a projected ∼270×{\sim}270\times energy reduction on neuromorphic hardware. Persistent membrane states further enable degradation tracking and event-driven fault detection via a +5.5+5.5 percentage-point spike-rate jump at abrupt faults. With 93%93\% spike sparsity, the architecture is suited for always-on deployment on Intel Loihi 2 or BrainChip Akida.
Apr 17, 2026cs.LG

PINNACLE: An Open-Source Computational Framework for Classical and Quantum PINNs

We present PINNACLE, an open-source computational framework for physics-informed neural networks (PINNs) that integrates modern training strategies, multi-GPU acceleration, and hybrid quantum-classical architectures within a unified modular workflow. The framework enables systematic evaluation of PINN performance across benchmark problems including 1D hyperbolic conservation laws, incompressible flows, and electromagnetic wave propagation. It supports a range of architectural and training enhancements, including Fourier feature embeddings, random weight factorization, strict boundary condition enforcement, adaptive loss balancing, curriculum training, and second-order optimization strategies, with extensibility to additional methods. We provide a comprehensive benchmark study quantifying the impact of these methods on convergence, accuracy, and computational cost, and analyze distributed data parallel scaling in terms of runtime and memory efficiency. In addition, we extend the framework to hybrid quantum-classical PINNs and derive a formal estimate for circuit-evaluation complexity under parameter-shift differentiation. Results highlight the sensitivity of PINNs to architectural and training choices, confirm their high computational cost relative to classical solvers, and identify regimes where hybrid quantum models offer improved parameter efficiency. PINNACLE provides a foundation for benchmarking physics-informed learning methods and guiding future developments through quantitative assessment of their trade-offs.
Apr 17, 2026cs.LG

Physics-Informed Neural Networks with Learnable Loss Balancing and Transfer Learning

We propose a self-supervised physics-informed neural network (PINN) framework that adaptively balances physics-based and data-driven supervision for scientific machine learning under data scarcity. Unlike prior PINNs that rely on fixed or heuristic weighting of physics residuals and data loss, our approach introduces a learnable blending neuron that dynamically adjusts the relative contribution of each term based on their uncertainties. This mechanism enables stable training and improved generalization without manual tuning. To further enhance efficiency, we integrate a transfer learning strategy that reuses representations from related domains and adapts them to new physical systems with limited data. We validate the framework for the prediction of heat transfer in liquid-metal miniature heat sinks using only 87 CFD datapoints, where the adaptive PINN achieves an error <8%, outperforming shallow neural networks, kernel methods, and physics-only baselines. Our framework provides a general recipe for embedding physics adaptively into neural networks, offering a robust and reproducible approach for data-scarce problems across various scientific domains, including fluid dynamics and material modeling.
Apr 16, 2026cs.LG

G-PARC: Graph-Physics Aware Recurrent Convolutional Neural Networks for Spatiotemporal Dynamics on Unstructured Meshes

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.
Apr 16, 2026cs.LG

Python library supporting Discrete Variational Formulations and training solutions with Collocation-based Robust Variational Physics Informed Neural Networks (DVF-CRVPINN)

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.
Apr 16, 2026cs.LG

SOLIS: Physics-Informed Learning of Interpretable Neural Surrogates for Nonlinear Systems

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.
Apr 16, 2026cs.LG

Lightweight Geometric Adaptation for Training Physics-Informed Neural Networks

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.
Apr 16, 2026cs.LG

Physics-Informed Machine Learning for Pouch Cell Temperature Estimation

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.
Apr 16, 2026cs.LG

Material-Agnostic Zero-Shot Thermal Inference for Metal Additive Manufacturing via a Parametric PINN Framework

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.
Apr 3, 2026cs.LG

Learning Without Adversarial Training: A Physics-Informed Neural Network for Secure Power System State Estimation under False Data Injection Attacks

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%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.
Mar 31, 2026cs.LG

Stochastic Dimension Implicit Functional Projections for Global Integral Conservation in High-Dimensional PINNs

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.
Mar 31, 2026cs.LG

Quality-Controlled Active Learning via Gaussian Processes for Robust Structure-Property Learning in Autonomous Microscopy

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.