Physics-Informed ML
ML: Machine Learning
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60 papers in the last four weeks, up 131% on the four weeks before. 0.6% of all new papers.
Latest papers 561
Energy natural gradient descent (ENGD) aligns parameter updates with the curvature of an underlying function-space energy, but existing formulations assume an unconstrained Euclidean parameter domain. We introduce \EMNGDfull{}, a manifold optimization framework for physics-informed and variational neural PDE solvers whose parameters lie on a Riemannian manifold. EMNGD restricts the energy-induced quadratic model to feasible tangent directions and uses retractions to preserve parameter constraints throughout optimization. Under coercivity, we prove that the push-forward of the undamped EMNGD direction is the best feasible approximation to the function-space Newton vector in the energy metric. We establish coordinate invariance, exact reduction to ENGD in Euclidean space, global first-order convergence with Armijo backtracking, and robustness to inexact tangent solves. For quadratic residual energies and generalized Gauss--Newton pullbacks, the Woodbury identity transfers the tangent system to sample space without changing the direction. Nyström approximation provides scalable sample-space solves with controlled direction error and recovers the exact direction after iterative convergence. On the evaluated neural PDE benchmarks, EMNGD achieves higher accuracy and faster convergence than the compared state-of-the-art baselines. Woodbury preserves the EMNGD direction, while scalable-solver diagnostics quantify the accuracy--cost trade-off of preconditioning and residual subsampling.
Stokes-Informed Diffusion for Robust Linear Polarization Estimation
Polarization cues benefit applications such as material detection and de-reflection, yet acquiring them typically requires dedicated hardware. This motivates us to estimate the linear polarization from a single RGB image. However, the task is inherently ill-posed, with the Angle of Polarization (AoP) becoming particularly unstable in weak polarization regions, where the polarimetric signal is overwhelmed by noise, leading to erratic angle estimates. To address these limitations, we propose GenPolar, a Stokes-informed diffusion framework grounded in the Mueller formalism from an intensity observation. Specifically, GenPolar predicts channel-wise linear Stokes components (S1,S2) from intensity S0, from which degree of linear polarization (DoLP) and AoP are analytically derived; AoP is further supervised with an observability-aware loss. In addition, to enable efficient and high-fidelity inference, we adopt a two-stage training strategy. Firstly, a multi-step conditional diffusion model is trained with a physics-based loss. Subsequently, we distill it into a one-step generator, which further supports stable Low-Rank Adaptation (LoRA) of the VAE encoder to mitigate domain-specific autoencoding bias. Extensive experiments across rotating-polarizer, division-of-focal-plane, and hybrid datasets demonstrate that GenPolar achieves state-of-the-art performance in both DoLP fidelity and AoP stability. Crucially, these improvements translate to significant and consistent gains in downstream applications, including material detection and de-reflection.
Physics-Informed Deep Learning Model for Cross-Modality Super-Resolution in Fluorescence Microscopy
Cross-modality image translation offers a route to super-resolution fluorescence microscopy from low-resolution images while reducing phototoxicity and instrumentation demands. However, purely data-driven models can produce visually plausible outputs that are inconsistent with optical image formation. Here, we propose a physics-informed generative adversarial network for confocal-to-STED image translation that incorporates microscope-specific point spread function information into the training objective. Simulated and experimentally measured PSFs were evaluated using a limited paired confocal-STED dataset of TOM20-labeled mitochondria in human primary M2 macrophages acquired across different experimental days. Performance was assessed using reference-based and non-reference-based image-quality metrics, together with complementary frequency- and distribution-sensitive analyses. The no-reference metrics probed physics-relevant image properties, including spatial-frequency content, contrast, and signal-to-noise behavior. PSF-guided models improved structural fidelity, reduced local deviations, and achieved closer agreement with STED references than non-PSF baselines, particularly in frequency-domain analyses. These results demonstrate that optical priors can improve the structural fidelity and physical plausibility of generative microscopy models for cross-modality super-resolution imaging.
Latent Variable-Mediated Cross-Learning for Few-Shot Acoustic Impedance Imaging
Acoustic impedance imaging is a fundamental yet severely ill-posed problem in subsurface analysis: the seismic wavelet is unknown, observations are band-limited, and labeled well-log samples are extremely scarce (typically <1% of all traces). Existing semi-supervised deep learning methods mitigate few-shot problem by incorporating forward modeling, yet they either rely on inaccurate prior wavelet assumptions or introduce auxiliary networks, leading to unstable optimization and degraded performance. We propose RD-SCL, a novel framework that integrates regularized deconvolution with semi-supervised cross-learning. At its core lies a differentiable, closed-form first-order Tikhonov deconvolution operator that dynamically estimates the latent wavelet in the frequency domain during training, providing stable physics-guided feedback without explicit auxiliary networks and fixed wavelet priors. Building on this operator, we design a symmetric cross-learning that enforces consistency between predictions on labeled and unlabeled data, thereby effectively exploiting abundant unlabeled traces. Extensive experiments on the SEAM and Marmousi 2 benchmarks demonstrate that RD-SCL consistently outperforms state-of-the-art supervised and semi-supervised methods, achieving substantial gains with lower computational cost. With only 56.5k learnable parameters and competitive runtime, RD-SCL offers a practical, physically consistent, and efficient solution for acoustic impedance imaging.
PhysCoRe: Physics-Corrected Residual World Models for Material-Aware Deformable Dynamics
Predicting how deformable objects evolve under robotic manipulation is a longstanding challenge. Existing approaches typically rely on per-object optimization to fit material parameters, which can be slow and cannot generalize, while end-to-end learned alternatives extrapolate poorly and often violate basic physical structure. We present PhysCoRe, a physics-corrected residual world model that couples a differentiable Material Point Method (MPM) simulator with two feed-forward neural networks. A material refinement module, Material from Motion (MfM), infers per-particle elasticity from visual observations, grounding the simulator in object-specific physics. A residual correction module, Residual from Dynamics (RfD), learns the discrepancy and predicts corrections to the simulator's internal dynamics, absorbing systematic biases that the analytical model cannot capture. This design also supports online material identification on novel objects. MfM adapts from limited interactions, and its predictive uncertainty steers further exploration toward the regions where its estimate is least confident. Experiments on real deformable-object manipulation sequences show that PhysCoRe outperforms state-of-the-art baselines in prediction accuracy, and that its predicted confidence forms a reliable distribution across the object's geometry, providing a natural signal for future confidence-guided exploration.
PG-KINN: A Physics-Informed Petrov-Galerkin Kolmogorov-Arnold Network for Solving Forward and Inverse PDEs
Physics-informed learning of partial differential equations (PDEs) has been dominated by multilayer perceptrons (MLPs), whose spectral bias and dense parameterization limit both accuracy and interpretability. Kolmogorov Arnold Networks (KANs) mitigate these limitations because their learnable spline activations are structurally aligned with the piecewise-polynomial bases of classical discretizations. However, the way a PDE is cast into a loss functional is as decisive as the choice of approximator: strong-form residual minimization requires high-order derivatives and heavily weighted losses, the energy (Bubnov-Galerkin) form is restricted to self-adjoint operators and, as we show, collapses to a trivial solution for parameter-identification problems, and boundary integral forms require a known fundamental solution. We propose PG-KINN, a physics-informed KAN built on a Petrov-Galerkin formulation in which the trial space is a KAN and the test space is an independent, compactly supported, piecewise-polynomial space evaluated with Gauss-Legendre quadrature. Integration by parts lowers the differentiation order while retaining applicability to general non-self-adjoint, nonlinear, and inverse problems; the localized test functions turn the global residual into a set of element-wise weak residuals with favorable conditioning. On a suite of benchmarks spanning crack singularities, stress concentration, Neo-Hookean hyperelasticity, inverse parameter identification in heterogeneous media, and complex geometries, PG-KINN consistently outperforms legacy MLP baselines and state-of-the-art KAN-based strong/energy/inverse formulations (PIKAN). These results position the Petrov-Galerkin coupling of KAN trial spaces and polynomial test spaces as a robust and accurate route for AI-based computational mechanics.
Interval and fuzzy physics-augmented neural networks (iPANN and fPANN) for uncertainty quantification and propagation in constitutive modeling
Constitutive modeling under uncertainty remains a central challenge for reliable mechanics simulations, particularly when the available stress-deformation data are sparse, noisy, or heterogeneous. We propose interval and fuzzy physics-augmented neural networks (iPANNs and fPANNs) for uncertainty-aware hyperelastic constitutive modeling. iPANNs learn sparse lower, mean, and upper free energy density branches whose stresses, obtained by automatic differentiation, ultimately enclose noisy stress observations. In contrast to this deterministic interval description, fPANNs embed the learned iPANN branches into a fuzzy-set representation through alpha-cut interpolation, yielding a nested family of admissible responses. iPANNs and fPANNs encode mechanistic constraints - preserving objectivity, consistency and promoting polyconvexity - and smoothed L0 regularization promotes interpretable energy representations. The bound models are trained through a two-stage transfer-learning procedure in which a sparse mean constitutive response is learned first and then fine-tuned into lower and upper energy branches. We evaluate the framework on synthetic isotropic hyperelastic data with heteroscedastic noise, varying random realizations, shifted noise means, and varying noise magnitudes. The results show that the learned bounds enclose noisy stress observations while generalizing to the test set. Further, we examine the propagation of uncertainty through the mean, upper and lower bound predictions of the learned iPANN models in a finite element setting. The proposed framework provides a compact, physics-consistent route for distribution-free aleatoric uncertainty quantification in hyperelastic constitutive modeling, and propagation in downstream finite element simulations.
Label-Free Finite-Volume-Residual Training of Attention Graph Neural Networks for Coupled Thermo-Fluid Fields
Neural surrogates are widely used in scientific machine learning for fast prediction of three-dimensional (3D) thermo-fluid fields. However, generating training data using conventional numerical solvers often incurs substantial computational and storage costs. We propose to train an attention graph neural network by minimizing the finite-volume method (FVM) residuals of the governing equations. These residuals are evaluated directly on the mesh, requiring no labeled data. We evaluate the trained surrogates against computational fluid dynamics (CFD) references and a data-supervised baseline across four scenarios. On the two steady-state benchmarks, the FVM-loss model achieves an all-field normalized root-mean-square error (nRMSE) of 2.3-2.8%. It demonstrates close agreement with the CFD references, including the buoyancy-energy coupling. On the two parametric transient cases, the FVM-loss model outperforms the supervised baseline in terms of accuracy, while avoiding the data-generation cost entirely. These results indicate that the FVM loss can provide a practical training signal for neural surrogates and reduce the model development cost.
DINS-IO: Learned Inertial Odometry via Differentiable INS Consistency
The training of learned inertial odometry depends on dense, high-precision position ground truth from motion capture, visual-inertial odometry or SLAM, which is costly and hard to acquire at scale. We propose DINS-IO, which learns inertial odometry directly from raw IMU streams without position labels. Our key insight is that the strapdown INS velocity recursion is a strong, fully differentiable consistency prior: the predicted velocity, rotated into the navigation frame, must agree with the integrated specific force up to an unknown initial velocity and a constant accelerometer bias. We cast this constraint as a sliding-window least-squares problem with a globally shared bias, solve it in closed form, and use the solver residual as a self-supervised loss whose gradient flows back to the network through the analytic solution. To supply this per-sample constraint, we design a high-frequency network that emits dense body-frame velocity at the IMU rate. Since the self-supervised network learns consistent motion but its velocity is not yet metrically calibrated, we calibrate it to true metric velocity from a few labeled trajectories by directly supervising the predicted body-frame velocity and adapting only low-rank (LoRA) patches. On standard benchmarks, DINS-IO pretrained self-supervised and fine-tuned with a small fraction of labels matches or surpasses fully supervised baselines.
PIER: Physics-Informed Environmental Retrieval for Time-Series Modeling
Accurate modeling of environmental systems is fundamental to scientific understanding and decision-making, yet remains challenging because observations are limited and physical dynamics vary across systems. Retrieval-augmented approaches offer a natural path to transfer knowledge across systems, but standard embedding-based retrieval does not guarantee consistency of underlying physical processes, since scenarios with similar embeddings may arise from different underlying mechanisms. We propose Physics-Informed Environmental Retrieval (PIER), a model-agnostic framework that augments embedding-based retrieval with a physics-aware stream that scores candidates by flux-response consistency with the target, using local verifiers trained on physics-derived flux features. A weight adjustment mechanism then learns per-scenario weights that adaptively balance the two retrieval streams based on diagnostic features summarizing physics-stream reliability. Experiments on 356 lakes across the Midwestern United States spanning 41 years show that PIER consistently outperforms baselines for water temperature and dissolved oxygen prediction, and serves as a general augmentation strategy across diverse backbones.
Physics-Aware Complex-Valued State Space Model with Scattering-Prior Feature Modulation for PolSAR Image Classification
Polarimetric synthetic aperture radar (PolSAR) image classification is a representative task for physics-aware GeoAI, where land-cover semantics are closely coupled with electromagnetic scattering mechanisms. Many existing complex-valued networks can preserve amplitude-phase information, but they are often limited in long-range spatial dependency modeling and usually incorporate polarimetric priors only as input-level or shallow auxiliary features. As a result, physical knowledge is insufficiently used to guide deep feature evolution. To address this issue, this paper proposes CV-SSMNet, a physics-aware complex-valued state-space network with scattering-aware feature modulation for PolSAR image classification. The proposed method builds a complex-valued state-space model (CV-SSM) in the original complex domain to capture long-range spatial dependencies while preserving polarimetric amplitude-phase coupling. Meanwhile, seven physically meaningful scattering priors, are encoded as FiLM-style modulation signals to adaptively recalibrate complex-valued representations during feature evolution. CV-SSMNet further integrates multi-scale complex convolutions, branch-wise CV-SSM encoding, prior-guided recalibration, and lightweight global context aggregation, enabling physically guided representation learning from local scattering structures to global spatial context. Experiments on three L-band benchmark datasets and an additional P-band BIOMASS evaluation demonstrate that CV-SSMNet achieves competitive accuracy, improved regional consistency, and better boundary preservation, supporting the effectiveness of embedding polarimetric scattering mechanisms into complex-valued long-range GeoAI representation learning.
Boundary-Adapted PINNs for Elliptic Dirichlet Problems: A Priori Error Bounds with Application to Mean Escape Time Computation
Motivated by the numerical computation of the Mean Escape Time (MET) of a stochastic process from a bounded domain , we study elliptic Dirichlet boundary value problems (BVPs) using boundary-enforced Physics-Informed Neural Networks (PINNs), in which the Dirichlet condition is imposed exactly by multiplying the network output with a predefined distance-to-boundary approximation . Combining approximation-theoretic and statistical-learning arguments for Rectified Quadratic Unit (ReQU) and hyperbolic tangent (tanh) networks, we derive a priori error bounds that make explicit the dependence on . In particular, we show that exact boundary enforcement alone is not enough for error bounds, and that a sufficient and essentially necessary condition is for to be a smooth distance approximation , of the kind constructed in arXiv:2104.08426 [math.NA]. We thereby identify this subclass of PINNs as the appropriate neural network ansatz for solving Dirichlet BVPs. Numerical experiments support the theory, showing that appropriate choices of improve accuracy and convergence, while poorly chosen distance functions can substantially degrade the solution. Our proof also yields new VC-dimension bounds for hypothesis spaces of higher-order derivatives of ReQU and tanh networks, together with new approximation bounds for shallow ReQU networks in higher-order Sobolev norms, all of which are of important independent interest.
Predicting Activities in Aqueous Electrolyte Solutions with Hybrid Machine Learning
Activities in aqueous electrolyte solutions, usually described by ionic activity and osmotic coefficients, are important properties for modeling many processes in industry and nature. Established activity models, such as those of Pitzer or Bromley, require fitting to experimental data for each electrolyte of interest and thus cannot predict properties for unstudied systems. While some predictive approaches exist, they are typically limited in scope and rely on additional ion-specific descriptors. In this work, we introduce a new hybrid model that combines the physics-based Bromley model with a matrix completion method (MCM) from machine learning. The MCM is employed to predict the electrolyte-specific parameters of the Bromley model, exploiting the fact that these parameters can be arranged in a matrix with cations and anions as rows and columns, respectively. Due to the lack of experimental data for many electrolytes, the initial parameter matrix is sparsely populated, making the prediction of the Bromley parameters for unstudied electrolytes a matrix completion problem. The hybrid model, Bromley-MCM, was trained end-to-end on experimental data for mean ionic activity coefficients and osmotic coefficients of aqueous solutions of 478 electrolytes at 298 K from the Dortmund Data Bank. As output, we obtain a completed matrix of Bromley parameters for 83 cations and 112 anions, enabling consistent prediction of concentration-dependent activities in aqueous solutions of 9,296 electrolytes at 298~K. This substantially extends the applicability of the Bromley model while maintaining high predictive accuracy, as demonstrated through evaluations on electrolytes excluded from model training.
Probabilistic Physics-Aware Machine Learning Predictions of Electric Truck Energy Consumption with Field Data
In this work, we incorporate first principle physics into the construction of data-driven methods by considering a model that accounts for the different sources of energy losses during vehicle operations. Our results show that Bayesian linear regression based on this physics-aware model can improve the reliability of the expected energy consumption, as compared with standard linear regression. Further, it is shown that more complex machine learning models such as neural networks and gradient boosted regression trees, based on the same physical model, can further improve the accuracy in energy forecasting and significantly outperform standard versions of the same machine learning models. In addition to point predictions of the energy consumption, we develop a framework for estimating the corresponding uncertainty in the form of predicted standard deviation. Our results show that all of the models learn to estimate the uncertainty reasonably well.
Physics-Informed Super-Resolution of Atmospheric Data
In the context of global warming, extreme events have become more frequent and intense, making their trustworthy detection and forecasting more important than ever. Yet, atmospheric observations lack sufficient spatial resolution, motivating atmospheric data downscaling as a way to reconstruct high-resolution data from coarse observations. This task is now being formulated as a super-resolution (SR) problem with machine learning methods featuring high efficiency. Nevertheless, it remains unclear whether the super-resolved atmospheric data still satisfies fundamental physics governing the Earth system, raising concerns about their trustworthiness in climate-related applications. In this work, we address this challenge by constraining SR models to respect hydrostatic primitive equations that represent multivariate atmospheric physics. First, we propose a Physics-Informed Super-Resolution (PISR) method involving multi-scale physics-informed objectives based on primitive equations. PISR favors the SR outputs to respect these equations and therefore naturally encodes inter-variable relationships. In addition, we propose a metric called Normalized Physical Consistency (NPC) derived from said primitive equations to measure the physical consistency of super-resolved data. Experiments on ERA5, CERRA, and COSMO demonstrate that PISR enhances the reconstruction fidelity by improving physical consistency, SR accuracy, and downstream detection of extreme events, as demonstrated by case studies in heatwaves and extreme winds.
Regime-Aware Physics-Guided Early Warning of Lithium-Ion Battery Thermal Runaway Using Thermo-Mechanical Signals
Thermal runaway in lithium-ion batteries poses a major safety risk to electric vehicles and energy storage systems. Current early-warning methods depend mainly on temperature and may therefore miss mechanical precursors that emerge before rapid heating. We introduce a regime-aware, physics-guided framework that integrates temperature, voltage, force, deformation, and state-of-charge measurements for early warning under controlled mechanical abuse. A lightweight convolutional classifier first infers safe, warning, or danger regimes from mechanical signals. These regime estimates then condition a causal temporal convolutional backbone through feature-wise linear modulation, physics-biased attention, and regime-dependent gating. Joint learning unifies regime identification, thermal-runaway detection, and time-to-disaster estimation. We evaluate the framework using leave-one-experiment-out cross-validation on 30 mechanical-abuse tests across state-of-charge levels of 10%, 50%, and 90% and two loading protocols. The method achieves an F1 score of 0.89, a high-temperature prediction root-mean-square error of 12.3 °C, a mean warning lead time of 15.6 s, a detection success rate of 0.92, and an experiment-level false alarm rate of 2.7%. Its lead time exceeds that of the strongest baseline by 69.6%. Removing force reduces the lead time by 60.3%, highlighting the value of mechanical precursors. These results support regime-aware thermo-mechanical fusion as a promising strategy for earlier and more reliable thermal-runaway warning under controlled abuse conditions.
Physics Closure Matters for Machine Olfaction: A Maxwell-Stefan Graph Solver for Identifiable Dynamic Gas Unmixing
Machine olfaction for gas unmixing is an underconstrained inverse problem in which gas compositions must be inferred from low-dimensional, delayed, and entangled sensor responses produced by interacting chemical transport, surface adsorption, and sensor transduction. One of the key obstacles is physics closure misspecification, where a neural network is designed to fit sensor traces rather than infer a physically closed olfactory process. In this work, we formulate gas unmixing as a multi-physics-constrained inverse problem governed by Maxwell--Stefan multicomponent transport PDEs, competitive adsorption ODEs, and nonlinear sensor transduction ODEs. Directly solving such a high-dimensional coupled system is computationally expensive and often numerically unstable. To this end, we propose UnMixNet, a physics-closed graph neural solver that embeds this multi-physics forward process into end-to-end gas unmixing. UnMixNet discretizes Maxwell--Stefan cross-diffusion on spatial graphs and formulates the multicomponent flux on each edge. This design enables local, differentiable, and flux-conservative inference for multicomponent cross-diffusion. Evaluations on SmellNet show improved single-odor recognition, seen-mixture unmixing, and unseen-mixture generalization. In addition, an external validation on UCI Dynamic Gas Mixtures shows that the inferred concentration process agrees with ground truth concentration set points under dynamic transitions. Process-consistency diagnostics further show that the proposed model learns transferable dynamic physical fingerprints that better satisfies transport, conservation, adsorption, and readout closure.
FlashPDE: A Drop-In Fused Triton Operator Library for Neural PDE Solvers
Physics-Informed Neural Networks (PINNs) solve PDEs by incorporating physical constraints into neural-network training, but large-scale problems are limited by automatic-differentiation memory overhead and inefficient execution of grid-based PDE operators. We present FlashPDE, a drop-in fused operator library for grid-based scientific machine learning. FlashPDE replaces fragmented PyTorch finite-difference execution with differentiable Triton kernels. Each operator integrates fused stencil evaluation, an analytic discrete-adjoint backward pass, and boundary-gradient correction within a unified PyTorch autograd Function interface. The library provides 14 differentiable PDE operators covering 17 configurations across 1D--3D elliptic, parabolic, and Navier--Stokes systems, while remaining independent of neural architectures and training strategies. Experiments on an NVIDIA A100 GPU show that FlashPDE reduces peak memory usage by up to 37.0x compared with coordinate-based automatic differentiation and reduces CUDA kernel launches by up to 3.5x compared with eager PyTorch finite-difference implementations. Across six representative PDE benchmarks, FlashPDE achieves up to 2.30x end-to-end time-to-solution speedup and up to 19.2x kernel-level acceleration while maintaining numerical agreement with PyTorch finite-difference references. FlashPDE provides a hardware-efficient execution layer that bridges differentiable PDE solvers and GPU-optimized numerical computation within the PyTorch ecosystem.
Physical Self-Supervised Learning: IMU Sensing without Manual Labels
Deep neural networks have become a promising approach for IMU-based sensing, but their scalability is fundamentally limited by costly labeled data and poor robustness to heterogeneous devices, placements, and users. Existing unsupervised and self-supervised methods reduce but do not remove this dependence, still requiring labeled data for domain adaptation and largely ignoring known physical structure. We propose physical self-supervised learning, an autoencoder-style paradigm for label-free IMU sensing. We replace the conventional neural decoder with an auto-adaptive physics decoder, a learnable family of kinematic equations that enforces explicit physical structure while adapting across environments, and adopt a hybrid two-stage IMU encoder with reconstruction in a structured latent space to mitigate sensor noise. Our framework further introduces probabilistic frequency-spatial constraints to disentangle sensor and object motion, a multi-view kinematic tree to exploit sparse physical self-supervised signals, and an uncertainty-aware formulation to handle the inherent ambiguity of IMU inference. Evaluated on inertial tracking and full-body motion capture over public datasets and realistic deployments, physical self-supervised learning reduces errors by up to 5x for tracking and 4x for motion capture in challenging generalization scenarios, consistently outperforming state-of-the-art supervised and self-supervised baselines without any labels. Our code is available at https://github.com/YuyangLeng/physical-ssl-imu-label-free
Predicting Grasping Compliance in Robotic Hands through Analytical-Model-Informed Neural Networks
In robotic manipulation studies, grasping is often treated as a binary success or failure problem, usually defined by whether the object simply stays in the hand. For forceful tool use, however, this view is insufficient because grasp compliance becomes a critical factor governing how the hand and tool behave under load. Compliance arises from coupled kinematics, grasp configuration, passive mechanics, and contact conditions, producing nonlinear behavior in which deformation and interaction forces influence each other. Understanding this relationship is essential for predictive models of how a grasped tool and a compliant hand jointly respond to external loading. In underactuated hands, these effects are amplified: such designs offer low cost and adaptive grasping, but make compliance behavior more difficult to model and predict. Our goal is therefore to develop a predictive model for grasped tool behavior during forceful interactions. To address this challenge, we introduce an analytical model informed neural network (AMINN), a hybrid predictive model that combines an analytical mechanics layer with data driven learning to estimate grasp stability and in hand tool displacement under external loading. The model is evaluated on a three finger underactuated robotic hand and shows strong predictive capability with mechanically meaningful outputs across diverse loading conditions. Compared with a black box multilayer perceptron baseline, AMINN also achieves better energy based physical consistency. Beyond prediction accuracy alone, this framework advances physically interpretable learning for robotic manipulation and supports more reliable, safer, and more trustworthy autonomous tool use in safety critical settings during forceful interaction.
ChemHyperMag: Physics-informed magnetic hypergraph learning improves molecular ADMET prediction
Accurate prediction of ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) is important for drug discovery. Most predictors use undirected molecular graphs and pairwise edges. This choice misses asymmetric interactions, nonreversible dynamics, and motif level effects from functional groups and ring systems. We propose ChemHyperMag for multitask ADMET prediction under missing labels. ChemHyperMag builds a functional group hypergraph from rings, BRICS fragments, Bemis-Murcko scaffolds, and bonds. It also defines a potential driven nonreversible flow guided by electronegativity and Gasteiger partial charges. The resulting circulation is encoded by a Hermitian magnetic Laplacian and processed with a magnetic Chebyshev encoder. We perturb magnetic phases to form stochastic views and train with an InfoNCE objective. Experiments on multiple ADMET benchmarks show improvements over recent methods with fewer labeled samples and no conformers. ChemHyperMag is scalable and provides interpretable directional signals through its magnetic phases.
Physics-Guided Masked Multi-Task Network for Edge-Friendly Battery Health Diagnostics from Sto-chastically Fragmented Charging Profiles
The deployment of reliable lithium-ion battery management systems is crucial for accelerating electrification, yet the joint prognosis of State of Health (SOH) and Remaining Useful Life (RUL) remains severely hindered by task heteroscedasticity. Conventional multi-task learning frameworks fail to balance the bounded, low-variance noise of SOH estimation with the unbounded, nonlinearly expanding uncertainty of long-term RUL predictions. Here, we present the Rotary SOH-Injected Prior Battery Transformer (RoSIP-Batt), a unified co-estimation framework that resolves these optimization conflicts. By formulating joint prediction as a Bayesian multi-task objective, RoSIP-Batt introduces a homoscedastic uncertainty weighting mechanism to dynamically scale task-specific gradients based on learned residual noise levels. The architecture leverages decoupled dual classification tokens and a per-dimension gated fusion mechanism, secured by a gradient-detachment operator to prevent high-variance RUL updates from corrupting the stable SOH representation space. To capture electrochemical degradation patterns without relying on absolute cycle steps, Rotary Position Embedding (RoPE) is incorporated into a shared Transformer backbone to model translation-invariant relative temporal profiles. Crucially, the intermediate SOH estimate is directly injected into the RUL regression head as a physical degradation prior. Evaluations across the NASA, MIT-Stanford, and HUST datasets show that RoSIP-Batt significantly outperforms state-of-the-art baselines, reducing SOH estimation error to 1.994% MAE on NASA and restricting RUL prediction error to 62.85 cycles on Stanford. These findings establish RoSIP-Batt as a highly generalizable, computationally efficient solution suitable for real-time embedded BMS deployment.
Bridging battery design and health assessment through virtual sensing and physics-informed learning
Supercharging of lithium-ion batteries (LiBs) requires robust health monitoring to ensure durability, safety, and user confidence, particularly for emerging vehicle-to-grid applications with bidirectional energy flows. Yet battery management remains largely disconnected from the material and structural origins of aging, limiting both interpretable health assessment and informed battery design. Here we propose a physics-informed learning framework with virtual sensing that infers hard-to-measure design parameters, including solid-state diffusion coefficient, electrode thickness, ion concentration, and particle size, directly from standard battery management system (BMS) measurements. Across diverse fast-charging strategies and driving profiles, embedding a digital-twin-derived particle-cracking mechanism as a soft constraint reduces trajectory and lifetime prediction errors by 6-8 times relative to state-of-the-art machine learning baselines using only 2% early-life observations. We further show that accurate degradation extrapolation does not require fully resolved governing equations; validated partial mechanisms, jointly refined with limited data, provide sufficient guidance. Virtual sensing transforms standard charging signals into latent design variables without additional sensors, bridging observable battery behavior and underlying aging processes while reducing capacity loss error by up to 39%, end-of-life (EOL) error by 17%, and prediction variability by up to 54%, enabling real-time exploration of new battery configurations. More broadly, the proposed framework establishes a practical feedback loop between deployment and development, demonstrating how real-world operation can continuously inform upstream design decisions across complex multiphysics systems.
Physics-Based Deep Spatiotemporal Hyperlocal Radar Nowcasting with a Multi-Variable U-Net for High-Resolution Precipitation Forecasting
Precipitation nowcasting over the immediate 10-90 min period is important for flood management and real-time decision-making in urban regions. Conventional short-range forecasting with high-resolution numerical weather prediction requires frequent data assimilation, model initialization, and spin-up, introducing computational latency. Machine learning provides an alternative by learning storm evolution directly from high-frequency observations and producing forecasts quickly after training. This is particularly relevant for Mumbai, India, where monsoon convection, land-sea interactions, and localized intense rainfall make short-term prediction difficult. Here, we develop a compact radar-only nowcasting framework that combines multi-elevation reflectivity, Doppler radial velocity, and radial-velocity-gradient proxy features within an encoder-decoder U-Net. Using the most recent radar volume scan, the model predicts 12 future composite reflectivity fields at 7.5-min intervals up to 90 min lead time. The derived velocity magnitude, divergence-like, directional-shear, and vorticity-like channels represent kinematic signatures associated with convergence and boundary interactions without requiring full wind-field retrieval. A high-reflectivity attention module improves sensitivity to convective cores, and physics-guided attribution examines whether the learned sensitivities are meteorologically meaningful. The model is trained using Mumbai Doppler radar observations from May to August 2023 and evaluated on temporally independent events. At 90 min lead time, Critical Success Index values are 0.437, 0.332, and 0.193 for 10, 20, and 30 dBZ thresholds, respectively. Compared with persistence, the model gives lower RMSE and higher spatial correlation at longer lead times. Once trained, it runs on a standard computer, generating nowcasts within seconds for real-time use.
A Semiparametric Framework for Stochastic Fundamental Diagram Modeling
The stochastic fundamental diagram (SFD) provides a probabilistic description of the relationship between traffic density and flow or speed, enabling uncertainty-aware traffic modeling. However, existing stochastic models frequently struggle to accommodate rigorous physical constraints while retaining sufficient flexibility to capture complex nonlinear patterns. To address this, we propose a novel semiparametric SFD modeling framework by leveraging specially designed functional forms. These functions intrinsically satisfy physical constraints defined on the moments of the conditional flow distribution given traffic density while incorporating neural-network-based structures to capture complex empirical patterns. We derive a system of moment-matching equations to convert physical constraints into the parameterization of the conditional distribution, proving that a unique solution exists for the location-scale family of distributions, thereby guaranteeing model well-posedness. Furthermore, we demonstrate that the framework can be extended to non-location-scale distributions, including those requiring additional boundary constraints. Empirical evaluations on a real-world dataset reveal that our approach consistently outperforms representative baselines, delivering superior probabilistic accuracy and robust uncertainty quantification, particularly in congested regimes. Overall, the proposed framework provides a theoretically grounded and flexible foundation for stochastic traffic flow modeling.
Trainable Spline Representations for Physics-Informed Learning
This work introduces Physics-Informed Splines (PI-Splines), a structured spline-based architecture for physics-informed learning. Instead of representing the solution of a differential equation with a neural network, PI-Splines directly parametrize the unknown field through a tensor-product B-spline expansion with trainable control coefficients. This formulation preserves the residual-based training paradigm of Physics-Informed Neural Networks while providing compact support, explicit smoothness control, analytical derivatives, and a direct geometric interpretation of the trainable parameters. When compatible with the spline representation, boundary conditions can be imposed strongly by fixing suitable boundary control coefficients. The proposed method is evaluated on several benchmark problems of increasing difficulty and compared with standard physics-informed frameworks under matched governing equations, collocation sets, loss terms, and optimization procedures, so as to isolate the effect of the approximation architecture. Numerical experiments show that PI-Splines provide a competitive and stable alternative to neural physics-informed architectures, particularly in settings where structured representations, locality, and parameter efficiency are desirable.
Non-Asymptotic Variational Learning for Monotone Nonlinear Multiscale Elliptic Equations: Scale-Robust Primal-Dual Bounds and Strong-Form Statistical Ill-Conditioning
We develop a non-asymptotic approximation, sampling, and finite-iteration optimization theory for variational physics-informed approximation of uniformly monotone nonlinear multiscale elliptic equations. For boundary-compatible neural feature classes, the population error splits into approximation, empirical quadrature, and projected-gradient terms, with all non-approximation constants uniform in the microscopic scale . Assuming a quantitative corrected -estimate, a two-scale state class yields
in arbitrary dimension. We further introduce a convex primal-dual physics loss whose population value is a computable upper certificate for the state error. With additional flux-corrector regularity, a divergence-compatible two-scale flux class gives a certified state-flux bound combining approximation, state and flux feature errors, empirical sampling error, and an optimization term. In contrast, for general periodic nonlinear fluxes satisfying a natural nondegeneracy condition, the empirical Rademacher complexities of strong-residual and squared-residual classes are bounded below by constant multiples of and , respectively. These optimizer-independent lower bounds hold in every spatial dimension. Numerical experiments confirm the predicted - and -scalings for nonlinear fluxes in , validate every computed primal-dual certificate, and show that corrector-enriched classes substantially reduce energy and errors as the microscopic scale is refined.
Evolutionary Algorithm-Guided LLMs for Physics-Informed Neural Network Design
Physics-informed neural networks (PINNs) are unusually sensitive to interacting choices of architecture, activation, loss weighting, collocation, optimization, and constraint enforcement. Large language models (LLMs) can propose these choices, but independent recommendations do not accumulate experience from previously trained PINNs. We propose a closed-loop evolutionary algorithm that guides an LLM to generate complete, executable PINN configurations across generations, using measured training outcomes to determine subsequent search decisions. The algorithm maintains an evaluated population and lineage, applies parent-conditioned mutation and crossover, preserves elite and diverse solutions, rejects effective duplicates, and converts parent-relative successes and failures into the next-generation context supplied to the LLM. Every proposed configuration is executed directly under an exact optimizer-step budget. On a one-dimensional multiscale wave equation, two independent ten-generation runs trained 60 PINNs for 600,000 optimizer steps. In both runs, the best configuration appeared in the final generation, with best mean-squared error reduced by 2.97% and 95.38% relative to the initial population. The stronger run validated residual connections and increased depth on separate branches, combined them in a later generation, and then refined width and collocation density. It also revealed that low solution error can coexist with a high PDE residual. These results demonstrate the feasibility of evolutionary-algorithm-guided LLMs for PINN design on a controlled PDE while motivating broader, physics-aware evaluation.
RTS Smoother-Guided Learning of Physics-Based Neural Differential Models
Ordinary differential equations (ODEs) are widely used to model dynamical systems in physics, biology, neuroscience, and physiology, but in many applications some equations of the dynamics are unknown and only a subset of the state variables are measured. We propose a hybrid neural--physics framework in which the known components of the ODE are kept explicit and the missing components are represented by a neural network. The proposed method consists of two stages where we alternate between state and parameter estimation and iterate until a predetermined criterion is met. Specifically, in the first step, we treat the model parameters as being known and we infer the latent states from the available measurements using a Rauch--Tung--Striebel (RTS) smoother. In the second stage, we treat the smoothed trajectories as being known and use them to estimate the neural networks' parameters through backpropagation. We evaluate the method on benchmark systems spanning linear, nonlinear, and stiff dynamics under partial state observation. Across these settings, the proposed method learns missing ODE components from incomplete measurements while exploiting and retaining interpretable mechanistic structure and improving latent-state reconstruction and long-horizon prediction.
DAPGNet: Dynamic Adaptive Physics-Guided Graph Diffusion Network for Hyperspectral Image Classification
Hyperspectral image (HSI) classification requires reliable pixel-relation modeling under spectral variability, mixed pixels, and heterogeneous boundaries. Existing graph-based HSI classifiers usually construct graph topology from spatial proximity, superpixel connectivity, or learned feature affinity. However, the spectral physical prior carried by contiguous bands has limited influence on topology estimation and message propagation. This paper presents DAPGNet, a dynamic adaptive physics-guided graph diffusion network that injects a structure-constrained physical prior into relation-level graph learning. DAPGNet first encodes contiguous spectral responses into node-wise multiscale physical-prior representations. A two-stage graph constructor then combines spectral-spatial affinity, physical-prior consistency, and spatial distance to form a physical-prior-aware sparse topology. During graph diffusion, learned edge weights are transformed into additive attention biases, while a physical gate performs node-wise and feature-wise interpolation between graph-aggregated features and projected physical-prior features. Cross-scale fusion integrates node states from different diffusion depths, and the network is optimized with main classification, auxiliary supervision, and second-order spectral smoothness regularization. Experiments on Indian Pines, WHU-Hi-LongKou, Houston2013, and Houston2018 show that DAPGNet achieves the best OA, AA, and Kappa among representative CNN-, Transformer-, Mamba-, and graph-based baselines. It improves AA over the strongest competing method by 3.64 to 7.31 percentage points across the four datasets. Ablation and sensitivity analyses further support the complementary effects of physical-prior extraction, prior-aware topology construction, physics-gated propagation, and spectral smoothness regularization.