Physics-Informed Machine Learning

Physical computing systems provide a promising route toward hardware-native machine learning, but their computational capabilities remain difficult to characterize in a principled, task-independent, and data-efficient way. We extend the Information Processing Capacity (IPC) framework to stationary physical computing systems and establish several fundamental results: individual capacities are bounded between zero and one, their sum over a complete basis is bounded by the number of readouts, and noise strictly reduces this bound. We address the finite-sample estimation of IPC and derive the asymptotic form of the systematic positive bias affecting naive estimators. Building on these results, we introduce data-efficient estimation methods based on Richardson extrapolation and Sobol quasi-random sampling. We validate the framework experimentally using a photonic computing system based on picosecond laser pulses propagating through a nonlinear optical fibre. By varying the laser power and fibre length, we observe systematic shifts of the IPC distribution toward higher-order nonlinear capacities induced by the Kerr effect. Finally, we demonstrate that the total IPC strongly correlates with performance on benchmark machine-learning tasks and provides a reliable estimate of the effective dimensionality of the system. These results establish IPC as a practical bridge between the intrinsic dynamics of physical computing systems and their machine-learning performance.

Digital twins (DTs) rely on continuous synchronization between physical systems and their virtual counterparts through online parameter estimation under uncertainty. In many practical settings, however, this task is challenged by low observability, weak excitation, nonlinear dynamics, and noisy or biased measurements. In this work, we develop a new mathematical framework that integrates Weighted Flow Matching (WFM) generative modeling with physics-informed nonlinear filtering to enhance parameter estimation in DTs. WFM relies on dynamic reweighting of training samples, which guides the generative model toward parameter regimes most informative of the evolving system state. This generative component is tightly coupled with a physics-informed filtering architecture based on the Unscented Kalman Filter (UKF), yielding a unified DT framework that combines data-driven probability transport with physically consistent state and parameter estimation. The effectiveness of the new integrated framework is demonstrated within a spacecraft DT architecture, where stable moment of inertia estimation is achieved under uncertain and noisy sensing, with significant performance improvements over established approaches such as Extended Kalman Filtering (EKF) and Ensemble Kalman Filtering (EnKF). These results highlight the potential of weighted generative modeling as a core mechanism for real-time DT synchronization in operational and mission-critical systems.

Monte Carlo methods are essential across diverse scientific fields, yet their efficiency is frequently hampered by critical slowing down-a sharp increase in autocorrelation times near phase transitions. Although deep learning approaches, such as neural-network-based samplers, have been proposed to alleviate this issue, they face another serious problem: the difficulty of training the models. This difficulty partially stems from the overly general nature of original machine-learning architectures, which often ignore underlying physical symmetries and force networks to relearn them from scratch. In this paper, we demonstrate that incorporating physical priors into the model significantly enhances performance. Building upon existing strategies that integrate spin-spin interactions, we propose a framework that utilizes a prior probability distribution as a starting point for training. Our results for the Ising model, as well as for the Edwards-Anderson spin glass model, suggest that moving away from `blank slate' models in favor of physics-informed priors reduces the training burden and facilitates the simulation of larger system sizes in discrete spin models.

We present a physics-informed framework for system identification based on randomized stable atomic features. Impulse responses are represented as random superpositions of stable atoms, namely damped complex exponentials associated with poles sampled inside a prescribed disk. Identification is then cast as a convex regularized least-squares problem with optional linear, second-order-cone, and KYP constraints. The approach generalizes random Fourier and random Laplace features to the damped, nonstationary regime relevant to engineering systems while retaining modal interpretability and scalable finite-dimensional computation. The main analytic point is an operator-theoretic Disk-Bochner viewpoint: positive measures over stable poles generate positive-definite kernels with a radius-dependent shift defect, while a converse scalar disk moment representation for an arbitrary kernel is characterized by subnormality of the canonical shift. We prove this statement, establish an RKHS-to-l1 embedding, show that sampled poles induce a valid finite atomic gauge, discuss random-feature convergence, and state sparse-recovery guarantees conditionally on the restricted-eigenvalue properties of the realized disk-Vandermonde or input-output design matrix. We also connect the normalized transfer function problem to Nevanlinna-Pick interpolation and LFT set-membership. The framework directly encodes stability margins, modal localization, DC-gain bounds, monotonicity, passivity, relative degree, settling-time targets, and time/frequency-domain error bounds. Numerical comparisons illustrate how physically meaningful priors can compensate for poor excitation and improve constrained impulse-response recovery in an under-informative data setting.

Physics-informed deep learning (PIDL) neural networks have shown their capability as a useful instrument for transportation practitioners in utilizing the underlying relationship between the state variables for traffic state estimation (TSE). Another efficient traffic management approach is implementing varying speed limits (VSLs) on transportation corridors to control traffic and mitigate congestion. However, the existing training architecture of PIDL in the literature cannot accommodate the changing traffic characteristics on a freeway with VSL. To tackle this challenge, we propose a novel framework integrating teacher-student ensemble training with PIDL neural networks for TSE under VSL scenarios. The physics of flow conservation law is encoded locally in the teacher models by PIDL, and the student model uses a multi-layer perceptron classifier (MLP) to identify traffic characteristics and selects the ensemble member of PIDL neural networks for TSE. This integrated framework provides a natural solution for capturing the heterogeneity of VSL and accurately addressing the TSE problem. The case study results validate the proposed ensemble approach, demonstrating its superior performance in TSE compared to other popular baseline methods, as indicated by relative L2 error.

The Gauss-Newton matrix is widely viewed as a positive semidefinite approximation of the Hessian, yet mounting empirical evidence shows that Gauss-Newton descent outperforms Newton's method. We adopt a function space perspective to analyze this phenomenon. We show that the generalized Gauss-Newton (GGN) matrix projects the Newton direction in function space onto the model's tangent space, while a Jacobian-only variant obtained by applying the least squares Gauss-Newton matrix to non-least squares losses projects the function space loss gradient onto this same tangent space. Both projections eliminate distortions from the model's parameterization. Specifically, the evolution of the prediction-target mismatch depends on the model's parameterization through the matrix $JJ^\top$ where $J$ is the Jacobian of the model with respect to its parameters. The projections effectively replace $JJ^\top$ with the identity. We call this effect error whitening. Once the parameterization is removed, the prediction-target mismatch evolves according to dynamics dictated by the structure of the loss and the projection produced by the optimizer. Error whitening is a special property of Gauss-Newton descent that rigorously distinguishes it from Newton's method. We empirically demonstrate that Gauss-Newton optimizers follow the theoretically predicted function space dynamics and outperforms Newton's method, Adam, and Muon across case studies spanning supervised learning, physics-informed deep learning, and approximate dynamic programming.

Fast surrogate models for expensive simulations are now essential across the sciences, yet they typically operate as black boxes. We present \texttt{GWAgent}, a large language model (LLM)-based workflow that constructs interpretable analytic surrogates directly from simulation data. Surrogate modeling is well suited to agentic workflows because candidate models can be quantitatively validated against ground-truth simulations at each iteration. As a demonstration, we build a surrogate for gravitational waveforms from eccentric binary black hole mergers. We show that providing the agent with a physics-informed domain ansatz substantially improves output model accuracy. The resulting analytic surrogate attains a median Advanced LIGO mismatch of $6.9\times10^{-4}$ together with an $\sim 8.4\times$ speedup in waveform evaluation, surpassing both symbolic regression and conventional machine learning baselines. Beyond producing an accurate model, the workflow identifies compact physical structure from the learned representation. As an astrophysical application, we use \texttt{GWAgent} to analyze the eccentricity of GW200129 and infer $e_{20\mathrm{Hz}}=0.099^{+0.063}_{-0.044}$. These results show that validation-constrained agentic workflows can produce accurate, fast, and interpretable surrogates for scientific simulations and inference.

Model Predictive Control (MPC) is widely used to operate safety-critical infrastructure by predicting future trajectories and optimizing control actions. However, nonlinear dynamics, hard safety constraints, and numerical optimization often render individual control moves opaque to human operators, undermining trust and hindering deployment. This paper presents Hierarchical Causal Abduction (HCA), which combines (i) physics-informed reasoning via domain knowledge graphs, (ii) optimization evidence from Karush--Kuhn--Tucker (KKT) multipliers, and (iii) temporal causal discovery via the PCMCI algorithm to generate faithful, human-interpretable explanations for control actions computed by nonlinear MPC. Across three diverse control applications (greenhouse climate, building HVAC, chemical process engineering) with expert validation, HCA improves explanation accuracy by 53% over LIME (0.478 vs. 0.311) using a single set of cross-domain parameters without per-domain tuning; domain-specific KKT-threshold calibration over 2--3 days further increases accuracy to 0.88. Ablation studies confirm that each evidence source is essential, with 32--37% accuracy degradation when any component is removed, and HCA's ranking-and-validation methodology generalizes beyond MPC to other prediction-based decision systems, including learning-based control and trajectory planning.

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

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

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

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

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

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

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

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

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

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

Accurate short-term electricity load forecasting is a cornerstone of U.S. grid reliability; however, prevailing deep learning models remain opaque, limiting operator trust during extreme weather. A unified, interpretable, physics-informed ensemble framework is proposed, integrating a Convolutional Neural Network (CNN) branch for local feature extraction and a Transformer branch for long-range dependency modeling; the branches are fused through a validation-optimized weighted ensemble and regularized by a physics-informed loss derived from the piecewise parabolic temperature-demand relationship of the Electric Reliability Council of Texas (ERCOT) system. Post-hoc interpretability is provided through SHapley Additive exPlanations (SHAP) with the DeepExplainer backend, yielding global and event-level attributions. Using eight years of ERCOT hourly load data (2018-2025) fused with Automated Surface Observing System (ASOS) records from three Texas stations, the framework achieves 713 MW MAE, 812 MW RMSE, and 1.18% MAPE on the test window. For Hampel-flagged extreme events, MAPE falls by 20.7% relative to its Transformer branch and by 40.5% relative to its CNN branch; an ablation confirms that the parabolic and ramp constraints drive a 14.7% RMSE reduction. SHAP analysis reveals a regime shift: temperature dominates under normal operation, whereas wind speed and precipitation become more influential during cold fronts and heatwaves.

In many cyber-physical systems, especially in critical applications such as aeroplanes, data to train anomaly detection and diagnosis algorithms is lacking due to data protection issues and partial observability. To combat this inherent lack of data, we introduce a high-fidelity, physics-informed co-simulation of a common aircraft main-fuel-pump system modelled in \textsc{MATLAB/Simulink Simscape Fluids}. We also describe its generated time-series data with health and fault mode annotations. To show feasibility of our benchmark, we apply an unsupervised Recurrent Variational Autoencoder (RNN-VAE) for anomaly detection and a SOM-VAE for operating mode discretization, trained to separate healthy and faulty conditions.

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

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

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

High-fidelity simulations and complex inverse problems, such as detector modeling and unfolding, are computationally intensive bottlenecks across subatomic physics, yet essential for accurate physical interpretation. While Conditional Flow Matching (CFM) offers a robust acceleration approach, we demonstrate its standard training loss is fundamentally misleading. Specifically, utilizing a Jefferson Lab Nuclear Physics (NP) kinematic dataset ($γp \to ρ^0 p \to π^+π^- p$), we expose that CFM loss plateaus prematurely, obscuring ongoing physical refinement. To verify this disconnect is a dataset-agnostic pathology, we introduce ScatterPrism, an efficient generative surrogate evaluated against both the NP data and synthetic stress tests modeling challenging 1D distribution topologies. Coupling these benchmarks, we establish that physics-informed metrics continue improving long after standard loss converges. Consequently, we propose a multi-metric diagnostic protocol to ensure true kinematic fidelity without data memorization. Driven by NP challenges relevant to the forthcoming Electron-Ion Collider (EIC), this unified machinery has strong potential to extend to High-Energy Physics (HEP) applications, such as jet modeling. Furthermore, the framework holds promise for broader domains requiring rigorous generative reliability, including medical imaging, astrophysics, and quantitative finance.

Autonomous experimental systems are increasingly used in materials research to accelerate scientific discovery, but their performance is often limited by low-quality, noisy data. This issue is especially problematic in data-intensive structure-property learning tasks such as Image-to-Spectrum (Im2Spec) and Spectrum-to-Image (Spec2Im) translations, where standard active learning strategies can mistakenly prioritize poor-quality measurements. We introduce a gated active learning framework that combines curiosity-driven sampling with a physics-informed quality control filter based on the Simple Harmonic Oscillator model fits, allowing the system to automatically exclude low-fidelity data during acquisition. Evaluations on a pre-acquired dataset of band-excitation piezoresponse spectroscopy (BEPS) data from PbTiO3 thin films with spatially localized noise show that the proposed method outperforms random sampling, standard active learning, and multitask learning strategies. The gated approach enhances both Im2Spec and Spec2Im by handling noise during training and acquisition, leading to more reliable forward and inverse predictions. In contrast, standard active learners often misinterpret noise as uncertainty and end up acquiring bad samples that hurt performance. Given its promising applicability, we further deployed the framework in real-time experiments on BiFeO3 thin films, demonstrating its effectiveness in real autonomous microscopy experiments. Overall, this work supports a shift toward hybrid autonomy in self-driving labs, where physics-informed quality assessment and active decision-making work hand-in-hand for more reliable discovery.

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

This work develops an active learning framework to intelligently enrich data-driven reduced-order models (ROMs) of parametric dynamical systems, which can serve as the foundation of virtual assets in a digital twin. Data-driven ROMs are explainable, computationally efficient scientific machine learning models that aim to preserve the underlying physics of complex dynamical simulations. Since the quality of data-driven ROMs is sensitive to the quality of the limited training data, we seek to identify training parameters for which using the associated training data results in the best possible parametric ROM. Our approach uses the operator inference methodology, a regression-based strategy which can be tailored to particular parametric structure for a large class of problems. We establish a probabilistic version of parametric operator inference, casting the learning problem as a Bayesian linear regression. Prediction uncertainties stemming from the resulting probabilistic ROM solutions are used to design a sequential adaptive sampling scheme to select new training parameter vectors that promote ROM stability and accuracy globally in the parameter domain. We conduct numerical experiments for several nonlinear parametric systems of partial differential equations and compare the results to ROMs trained on random parameter samples. The results demonstrate that the proposed adaptive sampling strategy consistently yields more stable and accurate ROMs than random sampling does under the same computational budget.

Regulating grasping force to reduce slippage during dynamic object interaction remains a fundamental challenge in robotic manipulation, especially when objects are manipulated by multiple rolling contacts, have unknown properties (such as mass or surface conditions), and when external sensing is unreliable. In contrast, humans can quickly regulate grasping force by touch, even without visual cues. Inspired by this ability, we aim to enable robotic hands to rapidly explore objects and learn tactile-driven grasping force control under motion and limited sensing. We propose a physics-informed energy abstraction that models the object as a virtual energy container. The inconsistency between the fingers' applied power and the object's retained energy provides a physically grounded signal for inferring slip-aware stability. Building on this abstraction, we employ model-based learning and planning to efficiently model energy dynamics from tactile sensing and perform real-time grasping force optimization. Experiments in both simulation and hardware demonstrate that our method can learn grasping force control from scratch within minutes, effectively reduce slippage, and extend grasp duration across diverse motion-object pairs, all without relying on external sensing or prior object knowledge. (Video: https://youtu.be/l3TJV29Mo6w)

This work proposes a two-stage physics-informed deep learning framework that combines neural-network-based sampling with statistical inference and constrained parameter refinement. In the first stage, a dual-network physics-informed architecture is used, where a main-network approximates the PDE solution and an auxiliary coefficient sub-network provides a relaxed continuous soft approximation of the true discontinuous coefficient field. A gradient-adaptive weighting strategy is incorporated to improve residual training and enhance sampling reliability near possible discontinuity regions. The sampled coefficient values are then analyzed using Bayesian learning for Gaussian mixture models and birth-death Markov chain model selection, which identify the number of coefficient regimes and provide candidate intervals for coefficient values and transition regions. In the second stage, the inverse problem is reformulated as a constrained physics-informed estimator, in which the coefficient is replaced by a form-consistent hard approximation explicitly represented as a piecewise-constant function over the spatiotemporal domain. Comprehensive numerical experiments on PDEs with jump-discontinuous coefficients demonstrate that the proposed framework achieves adaptability and accurate parameter identification with acceptable computational costs compared to existing methods. Applications to solution reconstruction further illustrate its practical potential. This work provides a generalizable computational approach for inverse problems governed by PDEs with discontinuous parameter structures, particularly in non-stationary and heterogeneous systems.

Co-optimizing safety and performance in large-scale multi-agent systems remains a fundamental challenge. Existing approaches based on multi-agent reinforcement learning (MARL), safety filtering, or Model Predictive Control (MPC) either lack strict safety guarantees, suffer from conservatism, or fail to scale effectively. We propose MAD-PINN, a decentralized physics-informed machine learning framework for solving the multi-agent state-constrained optimal control problem (MASC-OCP). Our method leverages an epigraph-based reformulation of SC-OCP to simultaneously capture performance and safety, and approximates its solution via a physics-informed neural network. Scalability is achieved by training the SC-OCP value function on reduced-agent systems and deploying them in a decentralized fashion, where each agent relies only on local observations of its neighbours for decision-making. To further enhance safety and efficiency, we introduce an Hamilton-Jacobi (HJ) reachability-based neighbour selection strategy to prioritize safety-critical interactions, and a receding-horizon policy execution scheme that adapts to dynamic interactions while reducing computational burden. Experiments on multi-agent navigation tasks demonstrate that MAD-PINN achieves superior safety-performance trade-offs, maintains scalability as the number of agents grows, and consistently outperforms state-of-the-art baselines.

X-ray micro-computed tomography (micro-CT) provides non-destructive three-dimensional (3D) imaging of porous material microstructures. In situ experiments, including mechanical loading and reactive transport, increasingly require dynamic four-dimensional (4D) imaging with volumes repeatedly acquired during experiments. However, rapid acquisition typically requires fewer projections, shorter exposures, or reduced fields of view, producing reconstructions with noise, blur, and artifacts that obscure pores, microcracks, and interfaces. To address this challenge, this study introduces InSituRes, a physics-informed same-grid volumetric enhancement framework for fast dynamic X-ray micro-CT imaging of temporally evolving materials. InSituRes maps fast-acquisition volumes to higher-quality long-acquisition reconstructions using paired scans of the same specimens. The model integrates 3D convolutional feature extraction with slice-wise transformer attention to capture local and broader in-plane context. A learnable forward degradation model approximates rapid acquisition effects, including spatial blurring, intensity scaling differences, and signal-dependent noise. During training, reconstructed volumes should match high-quality reference scans and reproduce observed fast acquisition data after propagation through the forward model, imposing a physics-guided consistency constraint. Experiments on unseen micro-CT datasets demonstrate improved reconstruction fidelity and enhanced visibility of fine microstructural features relative to conventional interpolation and learning-based enhancement approaches. The framework supports quantitative interpretation of fast 4D X-ray micro-CT scans of evolving materials.

While there are many applications of ML to scientific problems that look promising, visuals can be deceiving. Using numerical analysis techniques, we rigorously quantify the accuracy, convergence rates, and generalization bounds of certain ML models applied to linear differential equations for parameter discovery or solution finding. Beyond the quantity and discretization of data, we identify that the function space of the data is critical to the generalization of the model. A similar lack of generalization is empirically demonstrated for commonly used models, including physics-specific techniques. Counterintuitively, we find that different classes of models can exhibit opposing generalization behaviors. Based on our theoretical analysis, we also introduce a new mechanistic interpretability lens on scientific models whereby Green's function representations can be extracted from the weights of black-box models. Our results inform a new cross-validation technique for measuring generalization in physical systems, which can serve as a benchmark.

Kernel selection for regression of physical observables is often heuristic. We investigate a physics-informed strategy in which functional forms and spectral structures associated with Green's functions motivate kernel selection without requiring an exact identification between a machine-learning kernel and a physical propagator. The principal construction is a Jackson-damped Chebyshev kernel inspired by the kernel polynomial method (KPM); its explicit feature map yields a positive-semidefinite Gram matrix by construction and provides an inspectable spectral prior for structured observables. We evaluate standard and custom SVR models on copper-conductivity proxies, local Dirac-like band dispersion, quartic-oscillator energy levels, photonic-crystal transmission, and Fibonacci-chain transmission using repeated nested validation, learning curves, random-forest and multilayer-perceptron baselines, and low-rank Nyström tests where relevant. The framework is intended for finite-data regression of precomputed observables while boundary conditions remain part of the physical model that generates those observables.