Physics-Informed ML

Foundation models achieve generalization through massive-scale training on diverse data, but have limitations with transfer to truly unseen domains without paired training data. We propose principle-driven foundation models that encode signal-theoretic principles (Fourier decomposition, energy conservation, symmetry) rather than learn untethered statistical correlations. We hypothesize that domains differ not in fundamental physics, but in learnable transformations in time, frequency, magnitude, or phase. Training exclusively on radio-frequency (RF) data with co-designed architecture and losses incorporating these principles, we achieve cross-modal transfer to audio, images, text, and video using only frozen representations learned from RF data, requiring no fine-tuning of the encoder on target domains. Our 1.99M parameter frozen encoder achieves 77.7% average accuracy (91.9% top-3) across 15 diverse tasks via linear probing, with systematic variation: 84.5 on physically-grounded tasks (speaker recognition, seismology, RF fingerprinting) versus 70.0% on semantic tasks (music genre, language recognition). This reveals that principle-driven and scale-driven approaches offer complementary paths: physical principles enable efficient cross-modal transfer while naturally establishing the boundary between physical and semantic understanding.

Physics models are inherently imperfect due to misspecified or missing mechanisms, resulting in systematic discrepancies between model predictions and real-world observations. The Kennedy-O'Hagan (KOH) framework addresses this issue through explicit discrepancy modeling. However, its non-amortized, per-instance formulation limits scalability across families of related systems. We introduce Amortized Physics-Informed Calibration (APIC), a population-level extension of KOH that leverages Neural Processes to perform scalable Bayesian inference across realizations. Our framework employs a two-branch latent architecture to disentangle instance-specific physical parameters from shared, state-dependent structural discrepancies. By integrating differentiable physics into an amortized inference backbone, APIC enables rapid calibration of unseen realizations from sparse observations while quantifying uncertainty. Experiments on the damped spring oscillator, the Lotka-Volterra system, and the advection-diffusion PDE with misspecified physics demonstrate improved parameter recovery and consistent identification of the systemic discrepancy structure compared to other calibration approaches.

In AI for Science, physics-informed losses are increasingly used to train learned compressors for scientific data, but their rate-distortion implications remain poorly understood. At fixed bitrate, these objectives often improve preservation of a target physical observable while degrading standard reconstruction fidelity. We develop a local geometric theory showing that this tradeoff is governed by the interaction of latent-space sensitivities induced by the entropy model, the physical observable, and the distortion metric. At each operating point, these induce preferred directions along which compression noise should be suppressed, yielding an anisotropic error-allocation mechanism. When these directions are misaligned, improving the observable at fixed rate necessarily worsens standard distortion, establishing a fundamental limit on simultaneous preservation. We formalise this through a local tangent-space rate-distortion law and introduce a practical alignment diagnostic based on dominant eigenspace overlap. Experiments across scientific domains test the theory and validate that the alignment diagnostic correlates with observed data- and physics-space trade-offs.

Automatic-differentiation-based inverse analysis methods, including physics-informed neural networks (PINNs) and differentiable programming, have recently shown great promise due to their ability to compute accurate gradients and convergence efficiency. However, their applicability to falling weight deflectometer (FWD) backcalculation remains unexplored. This study critically evaluates PINN-based inverse analysis for a multilayer pavement system and investigates differentiable finite element method (DiffFEM) as an alternative based on a synthetic benchmark. The standard PINN does not recover layer moduli because of the sharp domain discontinuities inherent to layered pavement systems. Although we use an extended PINN with domain decomposition (XPINN), which shows better performance on discontinuous domains, its performance remains highly sensitive to loss weighting and network architecture, and degrades under measurement noise. By contrast, DiffFEM consistently achieves more accurate, stable, and computationally efficient inversion results. These results indicate that DiffFEM, which enforces the governing physics as a hard constraint, yields better accuracy, robustness, and computational efficiency than PINN-based approaches, in which the governing physics is imposed as a soft constraint through the loss function. More broadly, the findings suggest that the choice between PINN- and DiffFEM-based inverse analysis needs careful consideration, with DiffFEM offering practical advantages when an efficient and robust differentiable forward solver is available.

State-space models are traditionally based on physical knowledge, but multi-step predictions from these physical models can be poor due to model inaccuracy. Black-box deep learning has shown promise as an alternative. However, these methods rely on the availability of large datasets and potentially available physical knowledge is neglected. We propose the PG-RSSNN, a physics-guided recurrent state-space neural network that incorporates recurrent structures to enable the use of non-saturating activation functions in multi-step prediction. It mitigates the vanishing gradients and eliminates the risk of numerical divergence in training seen in existing structures that feed back state estimates. Results across multiple systems with various physical model imperfections, from linear state-space models with Gaussian noise to a robotic arm and a cascaded water tank system, show that the proposed PG-RSSNN maintains stable training behavior, and improves multi-step predictions, as compared with black-box neural networks and physics-only models, even with limited training data and when physical models are only partially known.

Accurate Remaining Useful Life prediction is critical for industrial predictive maintenance. However, real-world deployment is challenging due to the irregular nature of sensor observations, characterized by asynchronous sampling, burst missingness, and temporal jitter. Compounding this issue, purely data-driven models often generate physically implausible degradation trajectories that violate the irreversible nature of damage accumulation. To address this, we propose PC-MambaSDE, a unified continuous-time framework for robust RUL prediction under irregular observations. Specifically, we design a Mask-Aware Continuous Mamba Encoder that explicitly leverages observation masks to extract context-rich control signals. Furthermore, we introduce a Physics-Guided Latent SDE with parametrically rectified hybrid drift, superimposing a global physical bias to enforce monotonic degradation even amid severe observation gaps. Additionally, we formulate RUL prediction as a boundary value problem via a Terminal Degradation Penalty, which decouples a Health Index dimension and applies a penalty loss to guide trajectories toward the failure state. Theoretically, we prove that our variational objective is mathematically equivalent to minimizing the KL divergence via Girsanov's theorem, and we guarantee the global asymptotic stability of the learned dynamics through Lyapunov analysis. To enable rigorous evaluation, we develop a Hybrid Irregularity Generation Scheme that simulates realistic industrial imperfections. Extensive experiments on public benchmarks demonstrate that PC-MambaSDE significantly outperforms state-of-the-art methods, particularly under extreme observation scarcity, validating the efficacy of embedding physical priors into continuous-time latent dynamics.

Human Action Recognition (HAR) using WiFi Channel State Information (CSI) has gained increasing attention due to its non-contact, low-cost, and privacy-preserving nature. However, existing learning-based approaches largely rely on deep, computationally intensive architectures to implicitly capture motion dynamics from CSI measurements, thereby increasing model complexity and reducing efficiency. Instead, we argue that incorporating appropriate inductive biases tailored to the physical characteristics of CSI signals enables more efficient and effective learning. In this work, we propose a compact temporal convolutional network (TCN)-based framework that explicitly incorporates motion-aware inductive biases into feature learning. Specifically, we introduce a Doppler-energy-guided temporal attention mechanism in feature space to emphasize motion-salient time segments, and a variance-driven channel attention module to weight informative subcarriers based on temporal motion statistics adaptively. By integrating these domain-specific priors, the proposed model effectively captures motion dynamics without increasing architectural depth. Extensive experiments on multiple benchmark datasets demonstrate that our approach achieves superior performance compared to deeper baselines, while significantly reducing parameter count and computational cost.

Robot swarms can exhibit coherent collective behaviors through local perception, limited communication and decentralized decision-making, yet modeling and controlling such emergence remains challenging when behaviors unfold over multiple phases. Here we introduce PhySwarm, a physics-informed micro--macro framework that represents multi-stage swarm emergence as physically constrained density-field evolution coupled to executable robot motion. At the macroscopic level, a multi-phase advection--diffusion--reaction model (Macro-ADR) describes phase-dependent swarm-density evolution through directed transport, diffusion-based spatial regulation and behavioral phase transitions. At the microscopic level, an equivalent deterministic motion model (Micro-EDM) realizes these mechanisms through potential-field advection, density-gradient compensation and rate- or event-gated phase switching. A neural-physics controller (NPC) maps local observations and temporal memory to bounded physical parameters, and is trained with a reinforcement learning--PINN objective that combines task rewards with macro-scale density residuals and micro-scale motion-consistency constraints. In several proof-of-concept swarm missions -- including trail-guided foraging, formation-reconfigurable navigation and role-adaptive search and rescue -- we demonstrate that PhySwarm can generate distinct multi-stage emergent behaviors within a unified physics-informed modeling framework. The learned density fields and physical parameters provide interpretable evidence of how advection, diffusion and reaction jointly regulate multi-stage swarm organization. These results establish a physics-informed route for learning, interpreting and controlling emergent behaviors in robot swarms.

Predicting patient-specific facial soft-tissue deformation is critical for iterative orthognathic surgery planning. However, current computational methods face a strict accuracy-efficiency trade-off: high-fidelity Finite Element Methods (FEM) are computationally prohibitive, whereas pure deep learning models often produce biomechanically inconsistent results. While Physics-Informed Neural Networks (PINNs) offer a promising avenue, learning the complex heterogeneous mechanics of bone--soft-tissue interactions with only partial clinical supervision (i.e., outer facial surfaces) remains highly unstable. To overcome these challenges, we present PINNOCHIO, a novel physics-informed framework for facial soft-tissue simulation. PINNOCHIO introduces a hybrid sequential decomposition that explicitly decouples discontinuous bone--soft-tissue interface movements from continuous volumetric hyperelastic deformation. This structural separation enables stable training and facilitates a physics-enabled sim-to-real adaptation strategy, ensuring internal biomechanical consistency without requiring volumetric ground truth. Evaluated on a 40-patient clinical cohort, PINNOCHIO outperforms existing baselines in both surface accuracy and physical validity. Furthermore, it achieves a substantial speedup over FEM, successfully resolving the accuracy-efficiency trade-off to provide a highly reliable and practical tool for interactive surgical planning.

Entropy production governs irreversibility and uncertainty in both physical and information-theoretic systems. While Physics-Informed Neural Networks (PINNs) successfully solve differential equations, current architectures remain inherently domain-specific. The extraction of domain-invariant entropy representations across fundamentally different physical laws remains unexplored. This paper introduces a unified Physics-Informed Deep Learning (PIDL) framework that simultaneously enforces differential equation residuals and information-theoretic bounds within a single neural architecture. We demonstrate this framework via two canonical studies: (i) a thermodynamic continuous stirred-tank reactor (CSTR) model solving governing ODEs, where a Softplus constraint strictly enforces the Second Law of Thermodynamics; and (ii) an information-theoretic financial market model solving the inverse Fokker-Planck PDE to infer latent drift and diffusion coefficients, guaranteeing diffusion positivity via a Softplus constraint while naturally inducing Shannon entropy. Three model variants are evaluated: two domain-specific baselines and one shared-encoder architecture. The PIDL framework guarantees absolute thermodynamic admissibility with zero Second-Law violations and exhibits exceptional data efficiency, retaining >90% predictive accuracy using merely 30% of available training data. Furthermore, a post-hoc Ruppeiner Riemannian geometric analysis of the learned entropy surface successfully identifies thermodynamic phase instabilities. This methodology provides a robust, domain-agnostic architecture for physics-constrained entropy modeling, advancing applications in sustainable process design and quantitative financial risk assessment.

Full waveform inversion (FWI) reconstructs heterogeneous material properties from receiver data but remains computationally demanding. Physics-informed neural networks (PINNs) and their domain-decomposed variants (FBPINNs) offer a mesh-free alternative but face convergence challenges when representing complex velocity fields. We present a hybrid quantum-classical FBPINN for acoustic FWI, bringing together quantum computing and classical machine learning, in which the decomposed wavefield network and the global velocity network are implemented as classical-to-quantum pipelines terminating in parameterized quantum circuits (PQCs). The PQCs are realized as differentiable JAX statevector simulators, enabling end-to-end automatic differentiation through the classical PINN, the quantum circuit, and the physics-informed loss. On a geophysical anomaly benchmark, the quantum hybrid reaches a lower L1 velocity error than the primary classical FBPINN baseline in approximately 8x fewer training iterations, despite using approximately 33% fewer trainable parameters, and it outperforms all 15 classical hyperparameter variants tested. A second benchmark (checkerboard) demonstrates the generality of the inversion pipeline, confirming that the quantum hybrid architecture can recover structured spatial variations beyond the localized anomaly benchmark. Our framework is broadly applicable to wave-based inverse problems beyond geophysics, including medical ultrasound tomography and non-destructive evaluation.

Mineral prospectivity modelling (MPM) underpins exploration economics, yet most operational pipelines reduce to data-driven classifiers trained on shallow surface proxies. Such models are blind to the subsurface physics that actually localises ore: heat advection, fluid flow, and lithology-dependent precipitation. We present Korzhinskii-Net, a 2-D radial physics-informed neural network (PINN) that couples Darcy flow, advective-diffusive heat transport, and a softplus-saturated reaction rate into a single differentiable forward model, weakly supervised by surface and remote-sensing proxies. The network is named after Dmitri S. Korzhinskii (1899-1985), whose theory of infiltration metasomatism provides the physical scaffold. We evaluate Korzhinskii-Net on six ore provinces spanning three commodity classes - Udokan (sandstone-hosted Cu), Sukhoi Log, Olimpiada, and Berezovskoye (orogenic Au), Vorontsovskoye (Carlin-type Au), and Dalnegorsk (skarn polymetallic) - under a fair, leakage-controlled 5-fold cross-validation protocol with hard ring-shaped negatives and baseline proxy features disabled. Korzhinskii-Net attains a mean PR-AUC of 0.708 versus 0.235 for the strongest classical baseline (support vector machine), and a mean fractional rank of 0.036 versus 0.475. The improvement is consistent across all six provinces and three commodity systems, suggesting that physics-informed differentiable simulators, even when constrained only by global open-data proxies, can recover localisation patterns that pure feature-based learners systematically miss. We release the full pipeline and evaluation harness as open source.

Symbolic regression (SR) offers a route to scientific discovery by converting observations into interpretable governing equations. However, despite its promise, its reliability degrades sharply when spatiotemporal measurements are sparse, noisy, or physically incomplete, as commonly occurring in practice. Data enrichment (DE) has been shown to be able to mitigate this limitation, yet additional samples can mislead equation discovery unless they preserve the physical structure of the target system. Such implication of DE requires narrow domain expertise as well as technical fluidity, highly limiting its practical usefulness. In this study, we introduce a physics-guided latent diffusion framework for DE for down the line SR models. The proposed framework combines a variational autoencoder, a conditional latent diffusion model, and a physics-informed residual corrector to complete sparse observations with synthetic fields constrained by governing relations. We evaluate the approach on heat conduction, incompressible Navier-Stokes flow, and a moving single-mass Newtonian gravitational potential, using GPLearn, DEAP, and PySR as downstream SR backends. Our results reveal that physics-corrected enrichment consistently improves recovery in sparse regimes across physical dynamics and SR models. These results show that generative enrichment can strengthen equation discovery without additional domain expertise.

Transistor scaling is approaching a quantum-mechanical limit, as thin gate oxides induce electron leakage through quantum tunneling. Unlike conventional digital systems, AI inference can tolerate such errors provided their structure is modeled correctly. In this paper, we introduce quantum tunneling-aware machine learning (QTAML). We derive the deployment-time weight-error distribution from first principles using the Wentzel-Kramers-Brillouin (WKB) approximation and show that it has structure that generic Gaussian noise models miss: an exact affine mean drift, a per-bit variance hierarchy dominated by the most-significant bit, and a per-layer dependence on $\|W_\ell\|_\infty$ and the trained-network Jacobian. We package these three structural properties into a single deployment-time algorithm, Tunneling-Aware Compensation (TAC), that combines closed-form mean correction with an optimal layer-adaptive bit-budget allocation derived from the WKB variance decomposition. Across four convolutional architectures at $p_\mathrm{flip}$=0.10 and a transformer encoder at $p_\mathrm{flip}$=0.05, TAC reaches $95\%$ of clean accuracy with 3.4$\times$ to 33.6$\times$ less ECC overhead than Uniform-MSP, the natural baseline derived from the same physics. The closed-form saturation ratio $ρ^*$ predicts these gains in advance, and on heterogeneous architectures WKB-derived scoring outperforms magnitude-based allocation by up to 24 percentage points at small budgets. The algorithm requires no retraining, no labels, and no inference-time overhead. We also verify the WKB-derived distributional theorems to Monte Carlo precision. These results connect WKB tunneling physics with noise-aware deep learning and suggest a principled path toward hardware--software co-design beyond conventional scaling limits.

Inference and control in engineered physical systems pay a heavy physics cost at deployment: state estimators, inverse-problem solvers, model-predictive controllers, schedulers, and observers are often not closed-form and must re-solve a numerical optimization per instance, with the operator re-supplied each time. Physics-informed learning moves this cost to training, but uses a single encoder pathway whose latent geometry de-learns under fine-tuning and admits no quantitative transfer guarantee. We propose an asymmetric two-pathway architecture that resolves both issues. A teacher encoder consumes privileged dense states from a high-fidelity simulator and represents the system through operator-polynomial features stable under spectral perturbation; a student encoder learns the same latent geometry from sparse field data and operator descriptors. At deployment the teacher is discarded, and the frozen student runs in a single forward pass with a transfer certificate. The design connects to privileged-information learning, knowledge distillation, and cross-modal distillation, but targets cross-instance transfer rather than fixed-instance prediction: topology and operator may change, while the latent task does not. We establish sufficient and near-necessary transfer conditions via Wasserstein proximity between latent laws, yielding a zero-shot error bound, and develop a finite-sample certification protocol with active expansion when coverage is incomplete. The framework applies wherever a system admits an operator with reportable spectrum. On power-system estimation, it achieves zero-shot transfer to 100 unseen topologies, a 95% certificate pass rate, accuracy competitive with topology-aware Newton--Raphson, and sub-millisecond inference. These results suggest asymmetric pathways plus operator-anchored latent geometry provide a foundation for certified zero-shot inference and control.

Physics-Informed Neural Networks (PINNs) often train slowly or fail to converge on challenging partial differential equations (PDEs), a behavior recently linked to severely ill-conditioned loss landscapes inherited from the underlying differential operator. We study PINNs augmented with a pointwise data-fidelity term, added at a few points in the domain to the standard residual and boundary losses. We show that this supervision term acts as an operator-level preconditioner: for suitable weights, our comparison bounds guarantee a substantially smaller condition number than under the standard PINN loss, independently of how the pointwise labels are obtained. For a broad class of PDEs admitting a Feynman-Kac (FK) representation, we generate such labels by Monte Carlo averages of the FK functional, resulting in what we call ``FK-PINNs", and using the excess risk decomposition approach, we derive non-asymptotic $L^2(Ω)$-error bounds for FK-PINNs with $\tanh$ activation trained by finitely many steps of gradient descent. Along the way, we establish pseudo-dimension bounds for first- and second-order derivatives of $\tanh$ neural networks, which are of independent interest and, to the best of our knowledge, new. Numerical experiments on Poisson, Schrödinger, mean exit time, and committor problems corroborate the theory, and show that FK-PINNs can successfully solve PDEs for which standard PINNs exhibit severe failure modes.

Accurate modeling of quantum many-body systems often requires computationally expensive simulations such as Density Matrix Renormalization Group (DMRG) or Quantum Monte Carlo (QMC) calculations. These methods, while precise, impose significant time and resource constraints, limiting their use in exhaustive parameter exploration. Moreover, these expensive simulations can contain variable errors over the large unknown parameter space, which needs to be quantified and propagated. Thus, predictive modelling is required to estimate the functional space accurately over scarcely sampled data with heteroskedastic noise, while preserving the physical relevance of the estimation. Therefore, we present a Physically Constrained Ensemble Gaussian Process (pc-EGP) framework designed to efficiently model complex and noisy quantum systems under physical consistency constraints. The proposed method first enforces physical constraints as a user controlled weighted penalty to the data-driven loss function of the Gaussian Process (GP) surrogates. Then an ensemble of such GP models is trained with variable noisy simulations via numerical quadrature method where these multiple GP(s) at different nodes is integrated as a quadrature weighted average. We first demonstrate the framework on synthetically generated data before applying to quantum systems. In the first case study, we leverage DMRG simulations of the Bose-Hubbard Model to predict the critical interaction parameter Uc governing the superfluid-to-Mott-insulator transition. In the second case study, we demonstrate our method on QMC simulations, of a quantum liquid confined inside a nanoporous silicate with the goal of optimizing a chemical environment to realize a one-dimensional superfluid. Compared to conventional GP, pc-EGP achieves a better balance of accuracy and physically meaningful predictions.

To make cross-band channel prediction practical for AI-native RAN, algorithms must generalize across diverse environments and support real-time inference. Existing approaches achieve one but not both. To bridge this gap, we introduce GUIDE, a physics-guided deep unfolding framework that embeds wireless channel physics into differentiable layers. Without retraining in unseen environments, GUIDE achieves 2.75x beamforming gain than the deep learning-based baseline FIRE with only a slight increase in inference time, and 1.39x beamforming gain than the strongest model-based baseline R2F2 while running over 1610x faster.

Solving time-dependent partial differential equations (PDEs) is an important problem in computational science and engineering. Physics-informed neural networks (PINNs) learn PDE solutions from governing equations. However, accurately capturing temporal evolution remains challenging. Recent sequence-model-based approaches parameterize time evolution using general-purpose sequence models, which capture temporal dependencies but do not explicitly encode the structured dynamics of PDE solutions. In addition, their memory requirements can scale unfavorably with sequence length and resolution, limiting applicability in large-scale or high-dimensional settings. This work introduces a PINN approach that incorporates oscillatory state-space dynamics to represent the modal structure of PDE solutions. The proposed method leverages a linear-oscillator-based temporal evolution, together with a PDE-aware spectral basis in space. This design enables closed-form spatial differentiation and consistent enforcement of boundary conditions. The method is evaluated on forward, inverse, and high-dimensional PDE problems, including cases up to 100 spatial dimensions. The results show improved accuracy and reduced memory usage compared to recent sequence-model-based PINN approaches. Overall, this work highlights the benefits of incorporating structured dynamical priors into the temporal evolution of neural PDE solvers and suggests designing more physics-aligned and computationally efficient PINN architectures.

Learning-based surrogates for partial differential equations have recently matched the accuracy of classical solvers while achieving orders-of-magnitude speedups, predominantly in fluid settings and structured geometries. In contrast, robust surrogates for deformable solids remain underexplored, despite the presence of nonlinear elasticity, plasticity, and transient behavior that challenge standard architectures. We introduce a multigrid graph neural network for solid mechanics that couples an encoder-processor-decoder backbone with a physics-informed coarsening strategy. Instead of downsampling via geometric heuristics, our method scores nodes using a residual-based measure of local physical activity and preferentially retains regions of high strain or stress concentration, allocating multiscale capacity where it is most needed. This preserves long-range interactions through hierarchical message passing while improving stability over long rollouts. We evaluate on multiple datasets covering linear, nonlinear, and transient regimes, and observe consistent gains in accuracy and rollout stability compared to standard sampling baselines. Our results highlight the importance of physics-informed coarsening for scalable surrogate modeling in solid mechanics.

Understanding the human brain requires access to its microscopic tissue architecture. Diffusion magnetic resonance imaging (MRI) provides the only noninvasive window into whole-brain microstructure in vivo, yet reliable quantitative mapping remains confined to specialized research settings requiring dense sampling and optimized acquisition protocols. To address this gap, we present a physics-informed generative microstructure network (PIGMENT) that learns a universal generative prior of human brain microstructure and adapts it zero-shot to each participant's measured data to recover subject-specific maps. Trained on 11375 scans spanning multiple sites, vendors, and field strengths, PIGMENT enabled reliable quantitative mapping for tensor, kurtosis, and NODDI models across external datasets from five independent centers. It remains effective where conventional fitting becomes unreliable, recovering meaningful maps from extremely sparse acquisitions while supporting downstream tractography and structural connectivity mapping. PIGMENT estimates demonstrated strong biological validity, preserving submillimeter cortical microarchitectural patterns and early-childhood white matter developmental trajectories from 10-fold accelerated scans. Furthermore, PIGMENT enables reliable quantitative tensor mapping on cost-efficient low-field systems and the extraction of tumor-related biomarkers using ultra-fast clinical protocols. Together, these results establish PIGMENT as a physics-informed foundation model that extends quantitative diffusion MRI into regimes traditionally too sparse, heterogeneous, or clinically constrained for reliable analysis.

Physics-Informed Neural Networks (PINNs) are a common class of machine learning-based partial differential equation (PDE) solvers which train a network to represent a solution by minimizing a residual loss that encodes the PDE. Despite their successes, they are known to fail on certain simple equations, converging to an incorrect solution despite low loss. These failure modes have garnered significant attention in the literature over the past several years, motivating both architectural and optimization based solutions. By directly visualizing the residual, we show that failure modes are the result of overfitting: the loss is minimized on the collocation points, but not elsewhere. Applying regularization causes the failure modes to vanish. Finally, we extend double backpropagation over the full set of residuals, and use it to achieve state-of-the-art performance on four standard failure mode equations with up to $23\times$ fewer collocation points and a vanilla architecture.

Photonic crystal fiber (PCF) inverse design remains challenging because candidate geometries must satisfy coupled optical targets under expensive electromagnetic simulation. Existing pipelines improve surrogate prediction or one-shot parameter recommendation, but they do not accumulate reusable design knowledge across iterative trials. We formulate PCF inverse design as a memory-policy learning problem and propose SkillPCF, a closed-loop agent framework that combines a physics-guided memory skill bank, reinforcement-learned skill selection, and simulator-grounded skill evolution. We further construct a real-world dataset with 479 expert interaction traces (2,507 spans) and 553 memory-dependent evaluation queries covering dispersion engineering, loss optimization, and multi-objective design. Experiments across multiple LLM backbones and classical baselines show that SkillPCF achieves stronger design-quality and efficiency trade-offs under practical simulation budgets, demonstrating the effectiveness of our proposed memory-skill learning paradigm for physics-aware PCF inverse design.

Neural networks trained under different hyperparameter settings can fall into distinct training "regimes," with consistent behavior within regimes and qualitative differences across regimes. In this paper, we study such multi-regime behavior in scientific machine learning (SciML) models through a regime-aware diagnostic framework that jointly analyzes performance, training dynamics, and loss-landscape geometry. We identify three key findings: (i) a consistent three-regime structure emerges across many standard SciML models, different constraint enforcements, and various optimizer designs; (ii) optimization effectiveness is regime-specific, with no single method performing well across all regimes; and (iii) SciML models can exhibit fine-grained failure modes that can challenge conventional interpretations of standard loss-landscape metrics. Our results provide an approach to establish a unified, task-oblivious perspective on failure modes in SciML and to inform regime-aware guidance for improving robustness. We validate these findings across widely-used SciML models, including physics-informed neural networks, neural operators, and neural ordinary differential equations, on benchmarks spanning representative ordinary and partial differential equations.

Autonomous space systems operating in extreme thermal environments require accurate and efficient thermal modeling to support both pre-mission system design and onboard autonomy. For lunar rovers, large temperature gradients, radiative heat transfer, and variable surface conditions make reliable thermal prediction especially challenging. High-fidelity physics-based simulations provide accurate results but are computationally expensive, while simplified models and lookup-table approach often lack sufficient accuracy. Physics-informed machine learning (PIML) offers a promising alternative by combining data-driven models with embedded physical knowledge. This paper presents a PIML framework for thermal analysis of a simplified lunar rover with internal heat sources, where machine learning enables environment-adaptive coarse meshing. The proposed architecture integrates a transfer neural network (TNN) that adaptively determines 3D finite-difference nodalization based on thermal loads and initial conditions, enabling more accurate coarse-mesh calculations. A differentiable finite-difference thermal simulator is embedded within the framework to enforce physical consistency and support efficient training, while an upscaling layer reconstructs high-resolution temperature fields from the coarse-grid solution. The proposed PIML approach is evaluated against high-fidelity fine-mesh simulations, low-fidelity fixed coarse-mesh models, and a purely data-driven artificial neural network (ANN). Results show that the PIML framework improves prediction accuracy by 50% and 39% relative to the coarse-mesh physics model and ANN model, respectively, while maintaining physically consistent thermal distributions. Computationally, the framework is also 3x faster than high-fidelity simulations, demonstrating an effective balance between accuracy and efficiency for thermal modeling of lunar rover systems.

Reconstructing continuous state trajectories of chaotic dynamical systems from sparse, noisy observations remains a fundamental open problem in nonlinear science. We introduce the Physics-Informed Diffusion Model with Dormand-Prince Integration (PIDM-DP), which embeds a fully differentiable 5th-order Dormand-Prince (DP-RK45) ODE integrator directly into the reverse sampling loop of a Denoising Diffusion Probabilistic Model (DDPM). At each denoising step, physics residuals are back-propagated via automatic differentiation, constraining every generated trajectory to satisfy the system's governing equations to 5th-order accuracy. A linear-scheduled guidance mechanism that ramps the physics weight from zero at high noise levels to its full value near the clean-data limit prevents the gradient explosions that cause naive physics-informed approaches to fail on stiff systems with Jacobian eigenvalues of order $O(10^3)$. Evaluated across five benchmark systems of increasing complexity 3D Lorenz, 3D Rössler, 5D Hyperchaotic, 20D Lorenz-96, and the stiff 3D Rabinovich-Fabrikant at 10% observation density with additive Gaussian noise ($σ=0.05$), PIDM-DP achieves reconstruction RMSE improvements of up to $15.4\times$ over an unconstrained diffusion baseline and decisively outperforms the Ensemble Kalman Filter on stiff systems where ensemble covariance collapses. On the Rabinovich-Fabrikant out-of-distribution benchmark, PIDM-DP attains RMSE $0.1097 \pm 0.0269$ versus $0.9443 \pm 0.5288$ (unconstrained diffusion, $8.6\times$ worse) and $0.3561 \pm 0.3040$ (EnKF, $3.2\times$ worse), with $p<0.001$ in paired Wilcoxon tests ($N = 30$). Topological validation via the Rosenstein Lyapunov estimator confirms that PIDM-DP preserves the chaotic invariant measure.

Self-supervised deep learning-based methods have shown great promise for accelerated magnetic resonance imaging (MRI) reconstruction, achieving high image quality without requiring fully sampled data for training. These methods typically partition the acquired data into two disjoint subsets to construct input-target pairs for optimizing the reconstruction network. However, existing approaches perform this partition exclusively within the spatial frequency (k-space) domain, leaving the coil dimension unexplored. To enforce full exploitation of signal correlation across receiver coils, we propose CoilDrop-MRI, which applies coil-wise dropout to the input and uses the dropped data as training targets in a self-supervised framework. This method is integrated into unrolled architectures in both image-domain (SENSE) and k-space (SPIRiT) formulations. We further demonstrate its versatility by extending CoilDrop-MRI to multi-shot, phase-corrected diffusion MRI (dMRI) reconstruction. CoilDrop-MRI is extensively validated on multi-site, multi-field-strength (0.3T, 0.55T, and 3T), and multi-modality (T1-weighted, T2-weighted, T2-FLAIR, and dMRI) datasets and consistently outperforms state-of-the-art self-supervised methods, achieving quality comparable to supervised reconstruction methods without requiring fully sampled reference training data. Moreover, CoilDrop-MRI exhibits strong data efficiency and robust generalization across imaging conditions, establishing it as a practical and versatile framework for self-supervised parallel MRI reconstruction.

Turbulence is ubiquitous in engineering and science, yet direct simulation is prohibitively expensive. The Reynolds-averaged Navier-Stokes (RANS) equations provide savings exceeding ten orders of magnitude but introduce unclosed terms (the closure problem). Offline-trained machine-learning (ML) closures suffer distribution shift in predictive simulations, while ML methods that bypass the governing equations struggle to generalise from scarce high-fidelity data. We develop a physics-derived deep learning closure model for RANS, the Deep Algebraic Reynolds Stress Model (DARSM), which can be trained on small datasets and accurately generalise across Reynolds numbers, to unseen geometries, and to different flow regimes. A neural network maps flow invariants to empirical parameters in an implicit algebraic Reynolds stress equation, derived from the Reynolds stress transport equations under the weak-equilibrium assumption, imposing physics-based structure on the ML closure. End-to-end optimisation through the governing PDEs and the coupled implicit closure eliminates distribution shift, but both unrolled and implicit automatic differentiation fail on the stiff coupled solver. We derive adjoint equations that exploit the solver's implicit-explicit structure for efficient optimisation. On canonical square-duct and periodic-hill benchmarks, DARSM reduces average test velocity error over baseline RANS by $2$-$4\times$ across Reynolds number, geometries, and flow regimes, with peak case-level reductions of $12\times$. The model trained on attached, anisotropy-dominated flows (square duct) accurately generalises without retraining to separated flows (periodic hills), a regime change in the underlying physics. DARSM also outperforms five established ML methods: offline training, tensor-basis neural networks, field-inversion machine learning, DeepONets, and physics-informed neural networks.

Physics-informed machine learning (PIML) integrates mechanistic knowledge, typically in the form of partial differential equations (PDE), into data-driven models. Despite strong empirical performance, its statistical generalisation properties remain poorly understood, particularly in the regression setting with unbounded losses. Existing analyses rely on approximation or stability arguments and do not fully capture how physical structure influences generalisation from finite data. In this work, we develop a PAC-Bayesian framework for PIML that provides high-probability generalisation guarantees in the presence of unbounded losses. We adopt a multi-task perspective that jointly treats data fidelity, PDE residuals, initial and boundary conditions, avoiding the looseness induced by standard union-bound approaches. Our analysis leverages the structure of physics-informed objectives to derive novel bounds where the complexity scales with input-gradient norms of the losses, revealing a direct link between physical regularity and generalisation. We instantiate this framework under Sobolev and Poincaré-type assumptions, yielding two classes of bounds that trade off statistical complexity and smoothness in different regimes. Building on these results, we propose a self-bounding-aware learning algorithm that directly optimises tractable surrogates of the derived bounds, along with a practical procedure to estimate the associated constants in realistic settings. Empirical evaluations on standard PDE benchmarks demonstrate that our bounds are non-vacuous, significantly tighter than union-bound baselines, and can be effectively minimised during training. Overall, our results provide a principled statistical foundation for the generalisation of physics-informed models.

Accurately estimating object mass and friction is fundamental to reliable robotic manipulation. While interactive perception is powerful, most approaches rely on specialized hardware like force/torque sensors, limiting scalability. This paper introduces PhyPush, a physics-guided Transformer that estimates an object's mass and friction coefficient using only end-effector velocity from a single push, data readily available on standard robotic arms. By incorporating Newton's second law and the Coulomb friction model through a physics-guided loss, the model improves physical consistency and generalizes to unseen objects and surfaces. Across diverse setups, PhyPush consistently achieves highly accurate estimations in challenging out-of-domain conditions. In simulation, it reduces error by over 10% compared to a baseline with privileged force data, while in real-world experiments, it successfully zero-shot transfers from simulation to outperform a purely data-driven baseline.