Information fusion and machine learning for sensitivity analysis using physics knowledge and experimental data

When computational models (either physics-based or data-driven) are used for the sensitivity analysis of engineering systems, the sensitivity estimate is affected by the accuracy and uncertainty of the model. This paper considers global sensitivity analysis (GSA) for situations where both a physics-based model and experimental observations are available, and investigates physics-informed machine learning strategies to effectively combine the two sources of information in order to maximize the accuracy of the sensitivity estimate. Two representative machine learning (ML) techniques are considered, namely, deep neural networks (DNN) and Gaussian process (GP) modeling, and two strategies for incorporating physics knowledge within these techniques are investigated, namely: (i) incorporating loss functions in the ML models to enforce physics constraints, and (ii) pre-training and updating the ML model using simulation and experimental data respectively. Four different models are built for each type (DNN and GP), and the uncertainties in these models are included in the Sobol indices computation. The DNN-based models, with many degrees of freedom in terms of model parameters and training options, are found to result in smaller bounds on the sensitivity estimates when compared to the GP-based models. The proposed methods are illustrated for additive manufacturing and lake temperature modeling examples.

Physics-Informed and Hybrid Machine Learning in Additive Manufacturing: Application to Fused Filament Fabrication

This article investigates several physics-informed and hybrid machine learning strategies that incorporate physics knowledge in experimental data-driven deep-learning models for predicting the bond quality and porosity of fused filament fabrication (FFF) parts. Three types of strategies are explored to incorporate physics constraints and multi-physics FFF simulation results into a deep neural network (DNN), thus ensuring consistency with physical laws: (1) incorporate physics constraints within the loss function of the DNN, (2) use physics model outputs as additional inputs to the DNN model, and (3) pre-train a DNN model with physics model input-output and then update it with experimental data. These strategies help to enforce a physically consistent relationship between bond quality and tensile strength, thus making porosity predictions physically meaningful. Eight different combinations of the above strategies are investigated. The results show how the combination of multiple strategies produces accurate machine learning models even with limited experimental data.

A matched-integrator evaluation of Hamiltonian neural networks on pendulum and Kepler dynamics

Hamiltonian Neural Networks (HNNs) parameterize conservative dynamics through a learned scalar Hamiltonian, providing an architectural prior that is absent from generic vector-field neural networks. We evaluate this prior under a controlled protocol in which an HNN and a parameter-matched feedforward baseline are trained on the same RK4-generated trajectories, use the same central-difference derivative targets and optimization settings, and are integrated at inference with the same RK4 scheme. Results are reported over five independent training seeds. On the nonlinear pendulum, the HNN reduces mean energy drift by 42-fold and mean trajectory MSE by 15.8-fold at T = 100, approximately 16 pendulum periods. Its energy drift also remains bounded and exhibits substantially lower seed-to-seed variability than the standard-network baseline. An energy-stratified analysis shows that the difference becomes more pronounced as trajectories explore more nonlinear regions of phase space. As an additional diagnostic, we examine an explicit Störmer--Verlet-style rollout of the learned HNN. Because the learned Hamiltonian is not constrained to the separable form H(q,p) = T(p) + V(q), the standard symplecticity guarantee of velocity Verlet does not directly apply. We further apply the same matched-integrator protocol to the three-dimensional Kepler two-body problem. The HNN again exhibits lower trajectory, energy, and angular-momentum drift than the parameter-matched baseline. These experiments provide a controlled study of how Hamiltonian parameterization affects long-horizon prediction and physical consistency across two conservative dynamical systems.

Extrapolating the emergence of Hamiltonian chaos with random-feature Hamiltonian neural networks

Machine learning of Hamiltonian dynamics has driven growing interest in Hamiltonian neural networks (HNNs), which encode Hamilton's equations of motion into the learning architecture. Despite this progress, it remains unknown whether such networks can predict dynamical regimes absent from their training data, in particular the broad chaotic sea that emerges beyond the observed parameter interval. We address this question using a parameter-aware random-feature Hamiltonian neural network (RF-HNN). Trained using data from only a small number of control-parameter values at which invariant tori dominate, the RF-HNN predicts autonomous long-time dynamics at unseen parameter values where mixed phase space develops and chaotic regions expand, with no data from that regime used in training or model selection. The method is demonstrated across four two-degree-of-freedom Hamiltonian families, including the Hénon-Heiles system. Using Poincaré-section geometry and finite-time Lyapunov exponents, we show that the RF-HNN reproduces the breakup of regular structures and the emergence and growth of chaotic regions, whereas conventionally trained HNNs with the same Hamiltonian structure remain too regular. These results show that what decides parameter extrapolation is not Hamiltonian structure alone but how the fitted Hamiltonian continues in the control parameter. To our knowledge, this is the first demonstration that a learned Hamiltonian can qualitatively extrapolate from predominantly regular dynamics into a broad chaotic sea absent from training.

Learning to Trace Seiberg Dualities

Dualities play an important role in establishing both microscopic and emergent phenomena in a wide range of physical systems. In practice, though, it can often be computationally challenging to establish when two systems are dual, even when all of the "rules of the game" are well-known. Said differently, when confronted with two systems, how can one efficiently establish that they are in fact dual? In this paper we use machine learning methods to address this question for Seiberg dualities of supersymmetric quiver gauge theories. Mathematically, this involves establishing mutations of quivers, which is in turn a variation on the theme of "learning to unknot". On the one hand, this leads us to a practical tool for establishing the computational complexity of different dualities. On the other hand, it also allows us to study how different network architectures learn how to trace Seiberg dualities. We find that for quivers with a modest number of quiver nodes (of order $10$), different network architectures consisting of transformers and multi-layer perceptrons tend to outperform deterministic algorithms. Supplementing the network by well-established pathfinder algorithms (essentially "Google Maps for quivers") leads to an additional improvement in the efficiency and accuracy of the search strategy. We anticipate that this class of questions can serve as a useful benchmark for frontier AI models applied to theoretical physics.

On the post-hoc Evaluation of PDE Discovery: A Multifaceted Challenge of Scientific Advancement

Partial differential equation (PDE) discovery aims to identify from data the governing law of a physical system. Constituting a cornerstone of scientific advancement, it has become during the past decade a major line of research in the rapidly evolving field of Physics-informed Machine Learning (PiML). Among the remaining open problems to address in this domain, the post-hoc evaluation of discovered PDEs raises the particular difficulty of being multifaceted. Indeed, it requires jointly considering predictive accuracy, physical consistency, interpretability, and out-of-distribution generalization capacity. Given that some of these properties are conflicting, it is worth noting that the wide range of existing evaluation metrics only partially address the overall problem, potentially leading to overly interpreted conclusions about the validity of a presumed new physical theory. From an abundant literature spanning machine learning, numerical analysis, information theory or symbolic regression, we propose, to our knowledge, the first taxonomy of PDE evaluation metrics, and discuss their advantages and limitations in depth. Based on the observation that evaluation is often achieved on a case-by-case basis and that a universally accepted methodology remains elusive, we further provide recommendations with the aim of promoting standardized and reliable practices, before sketching promising future lines of research in this field. We argue that this paper is intended both for ML experts who design new PDE discovery algorithms and for users of these methods aiming, in real applications, to discover and validate well-founded scientific laws.

Physics-Informed Feature Engineering 1D-CNN for Multilayer Cloud Detection from Geostationary Satellites

Multilayer cloud detection from active--passive observation is vital for numerical weather prediction. In this study, channel selections derived from threshold-based algorithms are embedded as feature-engineering priors into a 1D-CNN, and machine learning (ML) is used to learn latent physical relationships to simplify physical retrievals for operational deployment. The results show that the 1D-CNN achieves a multilayer-cloud probability of detection ($\mathrm{POD}{\mathrm{mul}}$) of 0.620 and a false alarm rate ($\mathrm{FAR}{\mathrm{mul}}$) of 0.240, outperforming the conventional threshold algorithm ($\mathrm{POD}{\mathrm{mul}} = 0.558$, $\mathrm{FAR}{\mathrm{mul}} = 0.369$). These results demonstrate that prior physical knowledge derived from radiative transfer theory can serve as an effective feature-engineering prior. Further experiments show that ML-revealed physical mechanisms can also enhance traditional algorithms. Replacing AGRI channel 12 (C12, centered at $10.8~μ\mathrm{m}$) with channel 13 (C13, centered at $12.0~μ\mathrm{m}$) increased $\mathrm{POD}{\mathrm{mul}}$ from 0.558 to 0.609 without materially affecting $\mathrm{FAR}{\mathrm{mul}}$. However, for AHI, substituting the $11.2~μ\mathrm{m}$ channel with the $12.3~μ\mathrm{m}$ channel yielded negligible improvement. In addition to spectral response function (SRF) mismatches, a primary contributing factor is the channels' on-orbit radiometric stability. Hence, physics-informed machine-learning methods appear promising for advancing remote-sensing AI, while sensor-specific characteristics must be considered during operational transfer.

Q-GAIN: A Python Package for Machine Learning and Physically Informed Analysis Applications

Here we describe the quantum gas analysis and inference (Q-GAIN) Python package, which enables rapid deployment of machine learning (ML) and physics-informed analysis techniques for cold-atom experiments. Out of the box, Q-GAIN implements classification, object detection, and physics-informed metrics for feature detection in images of atomic Bose-Einstein condensates (BECs). Q-GAIN encourages a natural, module-based workflow: starting with data loading and preprocessing, followed by ML-based feature identification, and ending with conventional analysis techniques. We demonstrate this modularity by configuring Q-GAIN for three ML tasks. First, we demonstrate the basic workflow of the Q-GAIN framework by implementing the standard task of classifying handwritten digits from the MNIST dataset. Then, we re-implement our earlier soliton detection (SolDet) package in the Q-GAIN framework, enabling the detection and analysis of solitonic excitations in time-of-flight data. Finally, we develop an object-detection tool that identifies quantized vortices in images of ring-shaped BECs.

Learning Effective Soliton Dynamics from Scattering Data

The inverse scattering transform (IST) provides the standard theoretical framework for deriving soliton dynamics. Traditionally, such derivations have been of an analytical, rather than data-driven, nature. In this paper, we combine the conceptual framework of the IST with weak-form system identification methods to discover effective soliton dynamics directly from observed scattering data, without assuming prior knowledge of the scattering equations. Our method avoids parameterizing solitary waves via ad hoc curve-fitting by working in the scattering domain, yielding interpretable low-dimensional models that remain valid in perturbed and near-integrable regimes. We demonstrate the performance of the proposed approach on synthetic and experimental data governed by shallow-water equations of Korteweg--de Vries-type and recover models that are consistent with canonical IST theory.

Diffusion-warm sampling of the XY model enables fast thermalization at scale

We introduce a novel technique for scalable sampling of spin-system states with continuous symmetries using diffusion models. By applying our approach to the XY model, a fundamental continuous-spin model in condensed matter physics, we show that our technique addresses the shortfalls of the Markov chain Monte Carlo (MCMC) in generalization to varying system sizes. More specifically, we show that training a temperature-conditioned diffusion model on smaller-size XY model lattices enables the generation of accurate samples in larger lattice sizes. By tracking physically important observables of the model, such as spin correlations, our experiments demonstrate that diffusion sampling followed by a few MCMC steps reduces the thermalization time by an order of magnitude relative to the standard MCMC with random initialization. Our study provides valuable insight as to how generative models can be used to study continuous-state condensed matter systems at scale.

Physics-Guided Robotic Radiation Source Localization along Arbitrary Measurement Paths in Unstructured Environments

Using robots to estimate the location of the radiation source is an effective way to improve efficiency and safety. Existing methods focus on planning the robot's path to achieve precise estimation, typically approaching the source. However, approaching the source increases the risk of radiation damage to a robot. In addition, a path-planning algorithm designed solely for radiation source localization (RSL) limits the flexibility of missions that deploy robots into radioactive environments. This study presents an automation framework for robotic RSL that leverages a physics-informed machine learning (PIML) model to precisely estimate the source location, regardless of measurement paths, in unknown environments. Physics-inspired model tensors have been designed for PIML to handle attenuated gamma-ray flux signals from unknown obstacles, and multiple models are computed in parallel to improve the robustness and precision of the RSL. The proposed method is evaluated in high-fidelity simulation environments using Monte Carlo particle transport across diverse randomized domains, including spatial scales, radiation source types, obstacle materials and geometries, and robot trajectories. The method is also validated through physical experiments on configurations that are not included in the simulation-based evaluation. The continuous learning technique is applied in real-robot deployment to enhance the practical applicability of the online robotic RSL system. The proposed method advances robot radiation perception from pointwise flux detection to spatial intelligence.

Engineering Hybrid Physics-Informed Neural Networks for Next-Generation Electricity Systems: A State-of-the-Art Review

The integration of machine learning with domain-specific physics is transforming the design, monitoring, and control of electricity systems, where data scarcity, limited interpretability, and the need to enforce physical laws constrain purely data-driven models. Physics-informed machine learning (PIML) addresses these limitations by embedding governing equations directly into the learning process, yielding accurate, efficient, and scalable solutions for Industry 4.0 applications. This article reviews hybrid PIML architectures for electricity systems, including physics-informed neural networks (PINNs), Deep Operator Networks (DeepONets), Fourier Neural Operators, Extreme Learning Machine-enhanced PINNs, graph-based PINNs (PIGNNs), and domain-decomposition PINNs. Each approach is examined through case studies spanning field analysis, fault detection, digital twins, surrogate modeling, and control optimization. The review shows that embedding Maxwell's equations and other first-principles constraints substantially improves predictive accuracy under sparse and noisy data, reduces simulation time by orders of magnitude relative to finite element methods, and enhances generalization across operating regimes. Hybrid frameworks consistently outperform purely data-driven baselines on parameter sensitivity, dynamic behavior, and robustness, while supporting real-time digital-twin calibration and uncertainty quantification. Persistent challenges include training instability for stiff multi-scale problems, computational cost of high-fidelity models, and the absence of standardized benchmarks. The findings demonstrate that PIML enables a paradigm shift from black-box data-driven methods to transparent, physics-informed strategies, positioning the field for sustained innovation in resilient and intelligent electricity systems.