Heat Diffusion

Many physical systems are driven and observed only on lower-dimensional submanifolds of a larger spatial domain, while their dynamics are governed by the ambient medium occupying that domain. Examples include laser-heated parts imaged by an infrared camera, and ground-level emissions measured on a sensor plane. Full-domain solvers, however, compute the entire volume for every new source although only the observation submanifold is needed, and black-box surrogates do not exploit that the ambient medium remains fixed. We introduce the \emph{Green's Observation Operator (GObO)}, which maps the ambient medium once to the Green's kernel of a linear PDE restricted to the source and observation submanifolds. New sources then cost one lower-dimensional integral and no network evaluation. Exponential rates in the kernel yield an exact finite streaming state with horizon-independent memory; we prove its stability and an approximation rate for the restricted heat kernel. On three-dimensional heat conduction and advection--diffusion with collocated and distinct source and observation geometries, GObO trained on static sources predicts responses to moving sources zero-shot with 4--8$\times$ lower error than black-box surrogates, at 1.4,ms per query after a single conditioning pass. The same kernel transfers across resolutions and admits corrections for mild nonlinearities, including radiative losses and temperature-dependent conductivity, without retraining, at the cost of lower in-distribution accuracy.

Diffusion models generate data by reversing a forward corruption process that typically approaches a simple Gaussian prior. Recent work has extended this framework to signals supported on fixed graphs, e.g., road-network traffic and sensor-network measurements. Many graph signals have nonuniform spectral energy, whereas isotropic corruption adds the same conditional noise variance to every graph-frequency mode. Driving all modes to near-zero terminal signal-to-noise ratio (SNR) requires strong corruption, which increases the noise range that must be covered under a fixed sampling budget. We introduce Graph Residual Conjugate Diffusion (GRCD), which replaces the shared clock of graph heat diffusion with a mode-dependent clock that gives every graph-Fourier mode the same conditional SNR. GRCD fits a zero-mean graph-spectral Gaussian reference on the training split and stops at a finite terminal SNR at which the propagated reference still carries the fitted spectral variances. The Gaussian component has an exact modewise propagator in the probability-flow ODE, so sampling advances it analytically and integrates only the learned residual score numerically. We evaluate GRCD on five settings (METR-LA traffic, Molene weather, and three stochastic block models) against seven comparators under a matched protocol: Graph-Aware Diffusion (GAD), EDM (graph backbone), two adaptations of Whitened Score Diffusion (WSD), and three preconditioning controls. At four function evaluations (NFEs), GRCD lowers averaged maximum mean discrepancy (aMMD) by 22 to 36 times over the best comparator on all five settings, reaching 0.054 on METR-LA, where it clears an aMMD 0.1 target with 87% less sampling wall-clock time than the cheapest comparator that reaches it. Fitting the terminal reference reduces aMMD by 2.7 to 7.3 times at finite terminal SNR, while the factors shrink to 1.00 to 1.01 near zero.

Neural PDE surrogates increasingly incorporate structural priors, yet it is often unclear whether their gains arise from physics-specific information or simply from regularization and training choices. We evaluate several such priors under a common protocol against a matched from-scratch neural operator baseline. Our central result is that a known-equation residual consistently outperforms the best generic regularizer at equal tuning budget. At fixed capacity this benefit appears across linear and nonlinear PDEs, but a capacity sweep reveals a sharp distinction: the advantage persists and grows for Burgers, KdV, and Allen-Cahn, while collapsing toward or below parity for linear heat and advection-diffusion. Thus, the durable value of the residual is specific to nonlinear operators. We further falsify a pre-registered hypothesis that the benefit is activated only by data sparsity: the residual remains advantageous even under full supervision. Its usefulness does, however, have a clear boundary. Under grid under-resolution, nonlinear coarse fields no longer satisfy the naive governing-equation residual, and enforcing it becomes actively harmful. In contrast, cross-family pretraining and in-context conditioning fail to outperform the strong from-scratch baseline in the regime studied. Together, these results identify when known physics provides non-redundant information to neural PDE models, when it does not, and when enforcing it introduces bias.

The fusion of hyperspectral (HS) and Light Detection and Ranging (LiDAR) data plays a crucial role in enhancing land-cover classification by jointly exploiting spectral, spatial, and structural cues. However, existing multimodal fusion methods still struggle to model long-range dependencies and complex anisotropic interactions while maintaining computational efficiency. This paper introduces M2Heat, a physics-inspired framework that investigates multimodal fusion through the lens of heat conduction. At its core, a physics-driven visual heat conduction module (vHeat) and enhanced Frequency Value Embeddings (FVEs) simulate anisotropic information flow, enabling the capture of global dependencies with sub-quadratic complexity and physical interpretability. This mechanism, combined with a hybrid spatial-frequency fusion strategy named Cross-Frequency Fusion (CFF) module, produces highly discriminative and robust feature representations. M2Heat achieves competitive overall performance on three benchmarks, i.e., Trento, Houston2013, and Augsburg, while providing an interpretable heat-conduction-guided perspective for multimodal feature fusion. These results indicate the potential of heat-conduction-guided neural operators for efficient and interpretable RS multimodal fusion. The source code is publicly available at https: /github.com/Weikan0425/M2Heat_HSI_LiDAR.

Local heatwave hazard depends on fine-scale air temperature, but ground stations are sparse and reanalysis products such as ERA5 cannot resolve the terrain and land-surface contrasts that shape real heat exposure. We present a conditional diffusion emulator for high-resolution 2-m temperature downscaling, conditioned on static geography, a training climatology, exact-time ERA5 temperature, and solar and temporal features, guided at inference by score-based data assimilation (SDA): a differentiable Gaussian observation likelihood steers the diffusion score toward sparse revealed temperature observations without any retraining. On a controlled 32-case synthetic-grid protocol over AORC, guidance improves hidden-cell reconstruction over both ERA5 and a strong observation-proximal nearest-neighbor baseline once observation density reaches 1% (RMSE 0.318 vs.\ 0.431~K, winning all 32 cases), while sparser regimes still favor direct interpolation. We further map the full guidance-strength landscape across three observation densities, showing that the optimal strength shifts systematically with density and that over-guiding causes sharp, predictable degradation -- giving a concrete operating recipe rather than a single untuned setting. The resulting fields are intended as a temperature layer for downstream heatwave-hazard products such as threshold exceedance and cumulative heat-burden. The present evidence is a controlled synthetic-grid validation; station-network and held-out-year evaluations are the next steps toward deployment.

This paper addresses infinite-dimensional Bayesian inference for inverse problem of partial differential equations with model parameters in infinite-dimensional Hilbert space. To effectively incorporate prior information, we propose a novel continuous normalizing flows based infinite-dimensional model. Specifically, by introducing a well-defined neural ordinary differential equation in infinite-dimensional space, a simple reference measure can be transformed into a more complex measure which encodes the prior information. A corresponding theoretical framework is established to ensure the well-posedness of our proposed Bayesian prior in infinite-dimensional space. We also provide training methods of the prior for two distinct data settings, along with two sampling algorithms for the resulting Bayesian posterior. The proposed framework is applied to three representative inverse problems: the simple smooth inverse problem, inverse scattering problem, and the inverse heat conduction problem. Numerical experiments support the theoretical analysis and demonstrate the efficiency of the proposed algorithms.

Divertor heat-flux analysis is essential for understanding plasma-wall interactions and protecting plasma-facing components in magnetic-confinement fusion devices, while conventional infrared-based inversion is usually performed after discharge and requires heat-conduction modeling with device-specific material properties, divertor geometry, and boundary conditions. Rather than accelerating this conventional infrared-based inversion paradigm, we introduce a new online-oriented signal-based reconstruction paradigm that directly reconstructs time-resolved radial heat-flux profiles from multi-source macroscopic plasma-state signals available during discharge. To enable systematic study of this task, we construct \textbf{DivMPS2HF}, a multi-source discharge dataset that provides the data foundation and benchmark for signal-based divertor heat-flux reconstruction. We further propose \textbf{SafeDivertor}, a task-driven framework designed to address the key challenges of signal-based heat-flux reconstruction. It employs physical prior-aware initialization to provide radial-distribution guidance for target channels, input perturbation to reduce over-reliance on specific heterogeneous signals, spectral-aware reconstruction optimization to exploit time-frequency priors and preserve transient dynamics, and progressive training to stabilize the optimization of these complementary objectives. Experiments on DivMPS2HF demonstrate that SafeDivertor achieves the best overall performance among the evaluated time-series baselines across all five metrics, establishing a new performance benchmark for signal-based divertor heat-flux reconstruction. The source code will be released on https://github.com/Event-AHU/OpenFusion

Identifying cost-effective indigenous building materials that minimise heat penetration through walls is critical for indoor thermal comfort in low-income rural housing in hot-dry climates, where summer temperatures routinely exceed 45 C. We present a two-stage computational framework for thermal ranking of five low-cost indigenous wall materials: mud brick, clay-straw adobe, lime-stabilised bamboo panel, fired clay brick, and lime-mud composite. First, a validated Crank-Nicolson finite difference method (FDM) solves the one-dimensional transient heat equation with Robin boundary conditions under diurnal solar and outdoor air-temperature forcing, generating 1500 periodic-day solutions across a nine-dimensional parameter space by Latin Hypercube sampling. Second, a Physics-Informed Neural Operator (PINO) with a Fourier Neural Operator (FNO) backbone learns the parameter-to-solution operator mu -> T(x,t), enforcing both data fidelity and PDE consistency. The trained PINO attains a relative L2 field error of 5.14e-4 and a 0.201 K mean absolute error on the peak inner surface temperature, preserving the FDM material ranking exactly; PINO trained on 150 FDM samples matches a data-only FNO trained on twice as many, so the physics loss is most valuable when data are scarce. The periodic-day formulation also yields the ISO 13786 time lag and decrement factor, reproduced to within 0.99 h and 0.010. At nominal hot-dry summer conditions, clay-straw adobe achieves the best cost-performance index among widely available materials. A climate sweep, confirmed by FDM spot checks, reveals a regime boundary: under sub-ambient outdoor conditions the ranking inverts to conductive fired clay brick, delineating heat-exclusion and heat-rejection regimes. The framework supports evidence-based material selection for post-flood reconstruction in hot-dry regions.

Accurate and efficient prediction of subsurface temperature fields is essential for the design and operation of borehole heat exchanger (BHE) systems. Here we develop a parametric hybrid analytical and physics-informed neural network (PINN) framework for long-term multi-BHE simulations in heterogeneous underground. The method analytically extracts the singular line source response and enables the effective training of neural correction associated with subsurface heterogeneity. An explicit parametrization of the thermal conductivity allows physics-informed learning of a single feedforward neural network to generalize across different subsurface conditions. By formulating the correction in borehole-centered relative coordinates, the learned correction can be reused as a universal corrector through spatial and temporal superposition principles. Numerical experiments based on the infinite line source (ILS), finite line source (FLS) and moving finite line source (MFLS) models show that the hybrid method outperforms analytical approximations with stable accuracy over long simulation horizons and achieves orders-of-magnitude speedups over traditional solvers. The proposed framework therefore combines the efficiency of analytical models with the ability of numerical methods to capture heterogeneous subsurface physics, providing a fast and accurate approach for repeated long-term simulation of multi-BHE systems.

Inferring latent physical properties from sensory observations is a fundamental challenge in machine perception. Among available sensing modalities, thermal imaging is particularly promising because temperature evolution is directly governed by heat-transfer physics and therefore encodes information about underlying thermophysical properties of a scene. Recovering spatially resolved thermophysical properties from thermal observations could transform applications ranging from digital twins and infrastructure monitoring to robotics and scientific imaging. However, existing thermal scene reconstruction methods can recover temperature fields in complex 3D environments without identifying the thermophyiscal properties that govern thermal evolution, whereas inverse methods provide physically interpretable parameter estimation but typically rely on simplified geometries and controlled experimental conditions. Here we introduce ThermoField, a framework that unifies thermal scene reconstruction and thermophysical parameter estimation through differentiable heat-transfer simulation. The proposed framework represents these quantities as spatially varying neural fields and constrains them through scene geometry, governing heat-transfer physics, and temporal thermal observations. We demonstrate that ThermoField jointly reconstructs geometry, estimates spatially varying thermal diffusivity, and predicts thermal evolution under previously unseen environmental conditions. By integrating neural scene representations with differentiable heat-transfer solver, the framework enables physically interpretable parameter inference in complex 3D scenes. Our results establish a bridge between thermal scene reconstruction and inverse heat-transfer analysis, providing a unified approach for geometry reconstruction, thermophysical property estimation, and predictive thermal simulation from thermal observations.

Deep generative models offer a promising paradigm for topology optimization, enabling rapid design exploration. However, these approaches lack intrinsic physics guidance, often leading to poor generalizability across unseen boundary conditions and the formation of floating material artifacts. To address these limitations, we propose Hierarchical Physics-Guided Diffusion (HPG-Diff), a novel diffusion framework that enforces physics consistency through two synergistic mechanisms. First, we introduce a hierarchical physics-guided strategy that aligns different precomputed physics features with the denoising process, guiding material distribution toward optimal load paths to enhance generalizability. Second, we propose a floating material suppression loss as a differentiable connectivity constraint inspired by thermal conduction to improve topological connectivity. By simulating a virtual heat propagation process from load positions, this mechanism explicitly penalizes floating material during training. Quantitative evaluations demonstrate that HPG-Diff achieves average compliance errors of 0.87% (in-distribution) and 5.29% (out-of-distribution), while reducing floating material ratios to 2.90% and 2.44%, respectively. Furthermore, case studies on a 3:1 rectangular domain, including cantilever and bridge benchmarks, provide preliminary evidence that lightweight LoRA fine-tuning with a small dataset can support the adaptation of HPG-Diff to rectangular non-square domains.

Accurate modeling of the divertor temperature field is essential for preventing material melting and damage and for extending the service life of fusion devices. However, conventional numerical methods, such as the Finite Element Method (FEM), are computationally expensive and therefore unsuitable for real-time applications. Therefore, a fast and generalizable method is required for real-time reconstruction of the divertor temperature field and subsequent real-time control. To address the above issue, we propose a Physics-aware Neural Operator Transformer (PNOT) to characterize the spatiotemporal evolution of the divertor temperature field. It models boundary heat-flux relations as a structured graph and employs graph attention to explicitly capture spatial physical dependencies. Inspired by physics-aware attention, we further develop a physics-aware neural operator module to aggregate query points with similar physical conditions via slicing and model heat diffusion, while a gradient-constrained Sobolev regularization loss enforces consistency between function values and their derivatives. Experimental results show that these physical constraints improve prediction accuracy while preserving physical consistency. The source code of this paper will be released on https://github.com/Event-AHU/OpenFusion

Full-field measurement techniques such as digital image correlation and infrared thermography are prevalent in experimental solid mechanics. Digital image correlation is used to analyze surface deformation, while infrared thermography quantifies surface temperature fields. However, sophisticated procedures are necessary to express both datasets in the same Lagrangian frame, especially when analyzing non-flat surfaces. In this study, we propose an external projection-based coupling that uses the pinhole camera model to relate two-dimensional temperature data measured by infrared thermography to three-dimensional point coordinates from stereocorrelation-based digital image correlation. Unlike existing multiview approaches, we utilize two independently calibrated industrial-grade systems and augment the experimental evaluation with the pinhole camera model. The projection matrix of the camera model is calibrated using a single image of a reference object. Through this projection, temperature fields are accurately represented at material points. Our method is particularly suited for, but not restricted to, curved surfaces and straightforward to embed in existing experimental protocols, as the image registration is kept as is. Additionally, we propose using radial basis functions as a global interpolation ansatz in both space and time to compute in-plane temperature gradients and even temperature rates on curved surfaces, thereby providing an extensive and information-rich full-field dataset.

Wood materials exhibit complex, spatially varying thermal properties that challenge traditional architectural assumptions of material homogeneity. Although data-driven approaches can directly map wood RGB images to their corresponding thermal responses, they operate as uninterpretable black boxes that prioritize statistical correlation and may absorb experimental noise rather than thermodynamic plausibility. To address these limitations, we present physics-informed deep learning frameworks that integrate partial differential equations (PDEs) to predict pixel-level thermal responses of spatially heterogeneous wood materials using wood RGB images and testbed temperature maps. Specifically, we investigate two distinct approaches to enforcing a normalized 2D steady-state heat transfer equation derived from the general heat transfer equation: Physics-Informed Convolutional Neural Networks (PICNNs), which embed physics as a soft penalty term in the loss function, and Physics-Integrated Convolutional Neural Networks (PInteCNNs), which hard-code an analytical approximator-predictor-corrector solver directly into convolutional neural networks. To validate our proposed approaches, we collect three real-world multimodal datasets of Poplar, Grandis Cross-Cut (Grandis-CC), and Grandis Radial-Cut (Grandis-RC) wood samples. We further demonstrate that embedding physical inductive biases successfully balances predictive accuracy, physical interpretability, and intra-species diversity, outperforming data-driven approaches in handling complex wood material heterogeneity and enabling the extraction of interpretable physical parameters. Project: https://zekifayes.github.io/pim

Neural operators such as the Fourier Neural Operator (FNO) have emerged as powerful surrogates for solving partial differential equations (PDEs), achieving speedups of several orders of magnitude over traditional numerical solvers. However, deploying these models in safety-critical engineering applications -- such as thermal management of electronic components and battery systems -- requires not only accurate point predictions but also rigorous uncertainty guarantees. Existing uncertainty quantification (UQ) methods for neural operators, including Monte Carlo Dropout and Deep Ensembles, provide only relative uncertainty estimates without formal coverage guarantees. In this work, we propose the first application of split conformal prediction to neural operator-based physics simulation, providing distribution-free prediction intervals with finite-sample coverage guarantees. We further introduce a normalized conformal prediction scheme that leverages MC Dropout uncertainty to produce adaptive-width intervals, yielding tighter intervals in regions of low uncertainty and wider intervals where the model is less certain. Full-scale experiments (33.7M parameters, 800 training samples, 5 ensemble members, NVIDIA V100) on steady-state heat conduction benchmarks demonstrate that our method achieves 89.1% empirical coverage at the target level of alpha=0.1, while producing spatially adaptive prediction intervals that reflect the underlying physical uncertainty structure. We also provide an uncertainty decomposition framework that separates epistemic uncertainty (68% of total) from aleatoric uncertainty (32% of total), offering actionable guidance for data collection and model improvement. Our method is implemented in an open-source platform with REST API endpoints and interactive 3D visualization.

High-dimensional transient heat diffusion under noisy boundary conditions exposes a fundamental limitation of classical numerical methods: accuracy degrades catastrophically where physical noise is unavoidable. This paper presents a Physics-Informed Neural Network (PINN) framework as a systematic solution to this problem across one, two, and three spatial dimensions, establishing clear operational regimes that redefine solver selection in noisy thermal systems. Under 20% boundary noise in 3D, PINN sustains approximately 91% accuracy while Finite Difference Method (FDM) collapses to 36%, a clear decisive advantage. This is further confirmed in a physical copper thermal system, where PINN reduces boundary reconstruction error by 3.3 times under realistic noise conditions. This noise resilience is accompanied by a dimensionality-driven efficiency crossover: PINN requires fewer spacetime nodes than FDM in 3D while achieving superior accuracy, exposing the true cost of classical discretization at scale. These findings reframe solver selection: the decisive axis is not accuracy alone, but noise exposure and dimensionality jointly. When noise and dimensionality are both high, the classical solver paradigm is insufficient; this work provides the foundation to justify PINN as the operational standard in such regimes.

Real-time monitoring of the temperature distribution within components and sub-structures is a challenging topic in many systems due to restrictions on feasible sensor locations. While machine learning (ML) proves a versatile tool in many applications, its adoption for high-resolution thermal monitoring is hindered by the availability of high-quality datasets for training. In this work, we propose a novel approach for generating datasets for industrial applications based on randomized physics-based simulations. We demonstrate the approach in a proof-of-concept hardware setup: A neural network (NN) trained only on such a synthetic dataset, is used to reconstruct the internal temperature field from sparse sensors embedded in the hardware. The NN-based reconstructions do not only outperform Kriging in robustness but also enable real-time inference, making the method suitable for online monitoring of otherwise unobservable thermal states.

Two-phase boiling enables heat transfer rates an order of magnitude higher than single-phase cooling, but it remains difficult to model due to the strong coupling between phase change, turbulence, and transport, as well as extreme sensitivity to fluid properties and thermodynamic conditions. Existing learning-based surrogates are either condition- or fluid-specific, limiting generalization and requiring separate models. We present NUCLEUS, a mixture-of-experts model for pool boiling that replaces collections of specialized surrogates with a single architecture. NUCLEUS combines neighborhood attention, signed distance field reinitialization for interface consistency, and expert routing that exhibits emergent specialization across distinct boiling dynamics. Trained on high-fidelity simulations of pool boiling, NUCLEUS jointly models saturated and subcooled boiling across three fluid classes (dielectrics, refrigerants, and cryogens), resolving failure modes of prior models on extreme fluids. We show that expert routing exhibits coherent spatial structure and specialization without explicit supervision. Quantitatively, NUCLEUS matches or exceeds baselines while maintaining physical consistency across heterogeneous boiling configurations. We also show zero-shot and few-shot generalization capabilities on downstream tasks such as a new fluid (Opteon 2P50 developed for immersion cooling). These results demonstrate that mixture-of-experts models are a scalable pathway toward unified surrogate modeling of boiling dynamics and lay the groundwork for broader generalization across scientific ML.

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.

Data-driven modeling is becoming central to multiphase transport, electronics cooling, acoustic diagnostics, and thermal-fluid digital twins, but progress is limited by fragmented datasets and raw instrument files that are difficult to decode, reuse, or benchmark. This paper presents an open ecosystem of multimodal datasets and open-source software packages developed by the Nano Energy and Data-Driven Discovery (NED3) Laboratory for reproducible AI-enabled thermal-fluid research. We introduce a spatial-plus-temporal dimensionality framework, denoted S+TD, to classify datasets by the dimensionality of measured or simulated fields, including 0+0D point values, 0+1D time series, 1+0D profiles, 2+0D images, 2+1D videos, 3+0D volumetric fields, and multimodal combinations. We organize public NED3 datasets spanning boiling images, acoustic and thermal measurements, high-speed videos, infrared thermography, thermal-resistance measurements, CFD-generated fields, design files, and acoustic-emission data. We also describe complementary software packages, including BubbleID, SeqReg, CFDTwin, IRISApp, decode-wfs, AELab, and FlowLab, which support computer vision, sequence regression, surrogate modeling, infrared analysis, waveform decoding, acoustic-emission analysis, and multimodal diagnostics. Particular emphasis is placed on SeqReg, a general sequence-regression library for 0+1D, 1+1D, and 2+1D data, with applications such as nonintrusive heat-flux estimation. Finally, we discuss future community efforts to build interoperable thermal-fluid databanks and curated AI/ML tool libraries that connect datasets, metadata, decoders, baselines, benchmarks, and physically interpretable models.

Continental-scale knowledge of subsurface temperature is limited by the cost and sparsity of borehole measurements, but such information is essential for geothermal resource assessment and for understanding heat transport in the shallow crust. The thermal field reflects the interaction between lithology, crustal structure, radiogenic heat production, and advective fluid flow, sometimes producing sharp anomalies that are smoothed by conventional interpolation or difficult to capture with physical models. Here we introduce In-Context Earth, a transformer-based model that uses sparse local borehole observations as geological context to predict continuous temperature-at-depth fields with calibrated uncertainty. In the contiguous United States, the model achieves a mean absolute error of 4.7 °C, outperforming the physics-informed Stanford Thermal Model, a model based on AlphaEarth embeddings, the multimodal Transparent Earth model, and universal kriging, while resolving sharper thermal gradients in geothermal provinces. Its uncertainty estimates are well calibrated, with a Kolmogorov-Smirnov statistic of 2.5%. Without finetuning, the model adapts to Alberta, Australia, and the United Kingdom (UK) using only 20 local observations at inference time, maintaining high accuracy in geologically distinct test regions with a mean absolute error of 2.2 °C in Alberta, 6.2 °C in Australia, and 5.4 °C in the UK. Interpretability analyses show that the model learns internal representations of subsurface properties it never observes during training, including seismic velocities, geochemistry, and crustal structure, and uses these representations in physically consistent ways. More broadly, this work shows that in-context learning can use sparse borehole observations for continental-scale subsurface characterization, without requiring dense measurements or region-specific retraining.

Neural network surrogate models have emerged as a promising approach to model solution fields for a wide variety of boundary value problems encountered in physical modeling. Stochastic problems represent an area of particularly high interest because of the potential to significantly reduce the repeated evaluation of expensive forward models via traditional numerical solvers when conducting parametric analysis. However, many studies found in the literature primarily focus on the ability of neural network surrogate models to represent deterministic samples or mean field solutions and largely overlook surrogate model performance at the tails of the distribution. The present study examines in detail the ability of neural network surrogate models to capture the full distribution of solution fields over the entire probability space, while emphasis is placed at the tails of the distribution. Serving as a canonical problem is the heat conduction equation with a highly stochastic source term, inducing extremely large variation in the thermal solution field. Comparisons are made between a classic feed-forward fully connected network and a Deep Operator Network architecture, using both data-driven and physics-informed loss functions. Results show that the worst-case prediction errors are an order of magnitude larger than the mean field error, highlighting the importance of the outlier samples. The large errors associated with extreme samples result from the networks having to extrapolate beyond the bounds of the training data. A method for identifying these samples is presented along with a discussion of potential approaches to account of their errors. Among the models considered, the fully connected neural network trained using a weak form residual loss performs best in handling these extrapolated inputs, achieving the highest prediction accuracy for the numerically produced datasets.

Many complex systems can be modeled by temporal networks, whose organization often evolves through distinct structural phases. Detecting the change points that delimit these phases is both important and challenging. In this work, we extend the conditional entropy of heat diffusion from static graphs to temporal networks and study its properties. We provide an upper bound and explain how discrepancies from it arise from the presence of asymmetric temporal paths. Moreover, we show that this quantity is monotone in time, yielding an information-theoretic analog of the second law of thermodynamics for inhomogeneous diffusion on temporal networks. We then introduce a local version of conditional entropy, designed to probe diffusion over finite temporal windows, and show that it provides an informative signal for change-point detection in continuous-time temporal networks. We evaluate the proposed methodology on synthetic benchmarks, including comparative experiments with existing nonparametric baselines in the snapshot setting, and then apply it to a real-world temporal contact network from a French primary school. Finally, we show how to use detected change points to perform community detection on targeted sub-intervals, improving the quality and interpretability of the clustering results.

Real-time supervisory control of thermal energy distribution systems requires digital twins that are accurate, interpretable, and uncertainty-aware, yet remain data and computationally efficient. High-fidelity simulations alone are costly, while purely data-driven surrogates often lack robustness. To address these challenges, this work proposes an active learning (AL) framework that couples system-level Modelica simulations with four simpler physics-informed and data-driven surrogate modeling approaches: deterministic Sparse Identification of Nonlinear Dynamics with Control (SINDyC), its probabilistic multivariate-Gaussian extension (MvG-SINDyC), feedforward neural network (FNN), and gated recurrent unit (GRU) network. Tailored to each surrogate, model-specific AL query strategies are employed, including Mahalanobis-distance sampling in coefficient space for MvG-SINDyC and error-based sampling in prediction space for SINDyC, FNN, and GRU, allowing the learning process to prioritize dynamically informative trajectories. The proposed approach is demonstrated on the glycol heat exchanger (GHX) subsystem of the Thermal Energy Distribution System (TEDS) at Idaho National Laboratory. Across key GHX outputs--the bypass mass flow rate $\dot{m}_{\mathrm{GHX}}$ and heat transfer rate $Q_{\mathrm{GHX}}$-the AL framework achieves comparable predictive accuracy using as few as one-fifth of the simulation trajectories required by random sampling. Among the evaluated surrogates, the GRU achieves the highest predictive fidelity, while SINDyC remains the most computationally efficient and interpretable. The probabilistic MvG-SINDyC surrogate further enables uncertainty quantification and exhibits the largest computational gains under AL.

In recent years, physics-informed neural networks (PINNs) have gained significant attention for solving differential equations, although they suffer from two fundamental limitations, namely, spectral bias inherent in neural networks and loss imbalance arising from multiscale phenomena. This paper proposes an adaptive wavelet-based PINN (AW-PINN) to address the extreme loss imbalance characteristic of problems with localized high-magnitude source terms. Such problems frequently arise in various physical applications, such as thermal processing, electro-magnetics, impact mechanics, and fluid dynamics involving localized forcing. The proposed framework dynamically adjusts the wavelet basis function based on residual and supervised loss. This adaptive nature makes AW-PINN handle problems with high-scale features effectively without being memory-intensive. Additionally, AW-PINN does not rely on automatic differentiation to obtain derivatives involved in the loss function, which accelerates the training process. The method operates in two stages, an initial short pre-training phase with fixed bases to select physically relevant wavelet families, followed by an adaptive refinement that adapts scales and translations without populating high-resolution bases across entire domains. Theoretically, we show that under certain assumptions, AW-PINN admits a Gaussian process limit and derive its associated NTK structure. We evaluate AW-PINN on several challenging PDEs featuring localized high-magnitude source terms with extreme loss imbalances having ratios up to $10^{10}:1$. Across these PDEs, including transient heat conduction, highly localized Poisson problems, oscillatory flow equations, and Maxwell equations with a point charge source, AW-PINN consistently outperforms existing methods in its class.

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

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.

Physics-Informed Neural Networks (PINNs) provide a framework for integrating physical laws with data. However, their application to Prognostics and Health Management (PHM) remains constrained by the limited uncertainty quantification (UQ) capabilities. Most existing PINN-based prognostics approaches are deterministic or account only for epistemic uncertainty, limiting their suitability for risk-aware decision-making. This work introduces a heteroscedastic Bayesian Physics-Informed Neural Network (B-PINN) framework that jointly models epistemic and aleatoric uncertainty, yielding full predictive posteriors for spatiotemporal insulation material ageing estimation. The approach integrates Bayesian Neural Networks (BNNs) with physics-based residual enforcement and prior distributions, enabling probabilistic inference within a physics-informed learning architecture. The framework is evaluated on transformer insulation ageing application, validated with a finite-element thermal model and field measurements from a solar power plant, and benchmarked against deterministic PINNs, dropout-based PINNs (d-PINNs), and alternative B-PINN variants. Results show that the proposed B-PINN provides improved predictive accuracy and better-calibrated uncertainty estimates than competing approaches. A systematic sensitivity study further analyzes the impact of boundary-condition, initial-condition, and residual sampling strategies on accuracy, calibration, and generalization, and the influence of measurement noise on aleatoric uncertainty. Overall, the findings highlight the capability of Bayesian physics-informed learning to support uncertainty-aware prognostics and informed decision-making in transformer asset management by tracking aleatoric and epistemic sources of uncertainty.