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47 records · Page 2Linked to original sources

Observer-robust energy condition verification for warp drive spacetimes

Whether a warp drive metric requires exotic matter is decided by energy conditions quantified over all observers, not only the Eulerian. Each of the null, weak, strong and dominant conditions is equivalent, at a point, to feasibility of a $4\times4$ linear matrix inequality $A_{ab}+σg_{ab}\succeq0$, by the S-lemma, with $A_{ab}$ the stress-energy tensor or its trace reverse and the dominant condition a conjunction of two such tests. It forms no eigendecomposition of $T^a{}_b$, imposes no rapidity cap and assumes no Hawking-Ellis type, so it decides all four alike, Types I and IV not being exhaustive; its multiplier margin is exactly half the null-cone minimum, so the same test returns the severity. Composed with an interval enclosure of the curvature chain it decides a point from the metric itself, not from a floating-point copy of its stress-energy. At Type I each condition reduces instead to an eigenvalue inequality holding for all observers at once. The type label is numerical and tolerance-bound; the reported severities are rapidity-capped diagnostics, not certificates. Everything decided uses only boost-invariant data and stays well posed through $v_s=1$. On a flat slice the Eulerian momentum that opens the Type-IV wall vanishes only for a gradient shift, so among four matched drives the irrotational Rodal geometry is Type I identically, its shift curl-free by an exact profile identity, while Alcubierre and Natário are Type-IV dominated at every sampled speed and Van den Broeck above its transition. A single-frame reading of Rodal misses about 73% of its wall weak-energy violations. All four violate the pointwise null energy condition at every sampled speed, consistent with the Santiago-Schuster-Visser no-go, whose null step is conditional. Both are realized in warpax, a JAX toolkit building $T^a{}_b$ by automatic differentiation.

gr-qc

Polarizable atomic multipoles for learning long-range electrostatics

Long-range electrostatics and polarization remain central obstacles to extending machine learning interatomic potentials (MLIPs) to ionic, polar, and interfacial systems. Here we introduce a semi-local framework for learning electrostatics from energies and forces using polarizable atomic multipoles. Local equivariant descriptors predict environment-dependent latent monopoles, dipoles, and quadrupoles, while residual non-local charge transfer and polarization are captured by non-self-consistent linear response in induced charges and dipoles. Across four diverse benchmarks and four short-range MLIP architectures, the multipole hierarchy and response terms systematically improve potential energy surface accuracy, with the largest gains in systems where long-range effects are essential. More importantly, physically meaningful electrical responses emerge without direct supervision. The learned latent multipoles yield accurate Born effective charge tensors and infrared spectra in close agreement with experiments. The induced-dipole extension introduces new capabilities: it predicts polarizabilities and thereby enables semi-quantitative Raman spectra for bulk water and hybrid MAPbI$_3$ perovskite, as well as the essential features of the surface-specific vibrational sum-frequency generation spectrum at the water-air interface. In ferroelectric HfO$_2$, the predicted electrical response also captures LO-TO splitting and polarization switching. This systematically improvable, physically transparent framework enables MLIPs trained on standard energy and force labels to predict polarization-sensitive observables.

cond-mat.mtrl-sci

Analysis, thermodynamics, and a numerical solver for a pressure-temperature equilibrium closure of the four-equation model

We analyze an often used closure model for multi-material hydrodynamics where pressure-temperature equilibrium (PTE) is assumed for every state; emphasis is placed on tabular equations of state. This multi-material model is often referred to as the four-equation model. The identification of the admissible set is presented and is proven to be convex, setting the foundation for development of invariant-domain preserving methods for this model. A novel numerical method is presented for solving the highly nonlinear system for the equilibrated pressure and temperature with an arbitrary number of materials. This new method is compared with some traditional iterative solvers through a collection of different tests. Additionally, we provide a detailed analysis of the thermodynamics of the mixture model for general equations of state and prove existence and uniqueness of the pressure-temperature equilibrium solution under some thermodynamic assumptions.

math.NA

Coordinate-Residual Physics-Driven Neural Network for Inverse Scattering Imaging

Electromagnetic inverse scattering is a nonlinear and ill-posed computational imaging problem, where accurate reconstruction is challenging due to measurement limitations, noise, and high computational costs, especially for 3-D imaging. Although physics-driven neural networks (PDNNs) reduce the dependence on labeled training data, existing accelerated PDNN frameworks often rely on preliminary reconstruction-based region selection, which may introduce instability when the selected region is inaccurate. In this paper, a coordinate-residual physics-driven neural network (CRPDNN) is proposed for 3-D electromagnetic inverse scattering. CRPDNN represents the unknown complex contrast distribution using normalized spatial coordinates and a residual convolutional network, whose parameters are optimized by enforcing consistency between the measured and model-predicted scattered fields. Unlike existing subregion-accelerated PDNN approaches, CRPDNN does not require a preliminary reconstruction, thereby avoiding dependence on its accuracy. For the reported noise-free 3-D synthetic cases, CRPDNN achieves an average relative error of 2.10\%, compared with 7.97\% for CSI and 3.99\% for $L_{2/3}$-FBE-WCIE, while providing approximately 5.5- and 12.1-fold speedups over the two baselines, respectively. Additional 2-D comparisons further demonstrate its stability and computational efficiency relative to existing PDNN frameworks. CRPDNN also maintains reliable reconstruction performance under noisy measurements, and the 3-D Fresnel experiments further indicate its potential for practical imaging applications.

physics.comp-ph

Assessment of Numerical Lift Coefficient Data for a Circular Cylinder with Application to Bladeless Turbines

We assess computed lift coefficient data for flow past a circular cylinder to evaluate their suitability for practical applications. Specifically, we consider lift coefficient data for a circular cylinder over Reynolds numbers from 120 to 8000. The results are obtained from two-dimensional finite element simulations of the incompressible Navier-Stokes equations using pressure robust discretizations. We compare the computed lift coefficients with published experimental and numerical results, finding good agreement in some cases but significant disagreement in others. Because lift fluctuations are central to vortex-induced vibration concepts, these data therefore provide input for the analysis and preliminary design of bladeless turbines.

physics.flu-dyn

Stochastic Optimization of Tree Tensor Networks

Tensor networks, originally developed for quantum many-body physics, are promising models for machine learning. We derive stochastic Riemannian optimizers for tree tensor networks (TTNs) on both their parameter and quotient manifolds, including adaptive and learning-rate-free schemes suitable for minibatch training. Using a hybrid CNN-TTN architecture, we evaluate the methods on Fashion-MNIST, CIFAR10, and Imagenette. The proposed optimizers achieve predictive performance comparable to unconstrained optimization while enabling numerically stable downstream compression.

math.OC

Learning a general class of admissible multi-species collision operators from molecular dynamics

We develop a structure-preserving, data-driven collision operator for spatially homogeneous multi-species kinetic systems from molecular dynamics (MD). The operator consists of diagonal self-collision blocks and ordered off-diagonal cross-species blocks to describe intra- and inter-species momentum and energy exchange. Within a local and point-wise identifiable kernel class, we develop the necessary and sufficient condition for the admissible kernel class satisfying the conservation laws, the H-theorem, and the frame indifference. Unlike the classical Landau operator, the off-diagonal kernels are not restricted to be symmetric under permutation of the two velocity variables. This unique structural freedom captures the distinct responses of different species to unresolved correlations and many-body effects arising from micro-scale particle interactions. The equivalent parameterizable kernel formalization enables us to learn a generalized data-driven collision operator directly from MD, where the low-rank tensor representations and random sampling are used to achieve efficient kernel training and numerical simulation. Numerical experiments show that the learned operator accurately predicts transport coefficients and the non-equilibrium relaxation, while retaining discrete conservation and entropy production. In particular, it captures plasma kinetics in the moderately coupled regime, where the predictions of both the Landau and the data-driven model restricted to velocity-permutation symmetry show significant discrepancies.

physics.comp-ph

Physics-informed Learning for Orbital Uncertainty Propagation with Error Bounds

The Fokker-Planck partial differential equation (FP-PDE) governs uncertainty evolution in stochastic dynamical systems. In orbital dynamics, solving the FP-PDE is challenging because of nonlinear motion, high-dimensional states, and large space-time domains. We develop a physics-informed neural network (PINN) approach that approximates the FP-PDE solution as a single space-time probability density, while also quantifying its worst-case approximation error. This approach is, in principle, independent of the choice of state coordinates and neural network architecture. Specifically, to enforce probability density function (PDF) properties into the neural network, we design a Physics-informed Gaussian mixture model (PINN-GMM). Then a companion error PINN learns the dynamics of the approximation error and yields time-dependent bounds that define an ambiguity set of PDFs. This ambiguity set enables rigorous computation of upper and lower bounds on event probabilities through tractable linear programs. Numerical studies on illustrative 1D examples and several 4D--6D orbital test cases demonstrate accurate uncertainty propagation, correct and informative error bounds, and improved reliability over common uncertainty-propagation baseline methods (Gaussian approximation, unscented transform, and Gaussian mixture model). Constructing the PINN-GMM requires offline training, making it costlier than the baseline approximations; once trained, however, a single forward pass returns the density at any time in sub-millisecond time $(0.16~\mathrm{ms}$ in our implementation).

physics.comp-ph

Efficient primal--dual splitting methods for a Poisson-constrained JKO scheme for Poisson-Nernst-Planck models

The Poisson--Nernst--Planck (PNP) equations strongly couple ionic transport and electrostatic interactions through the Poisson equation, posing substantial numerical challenges under small permittivity and complex potential boundary conditions. Underlying these equations is a natural Wasserstein gradient-flow structure, in which the Poisson equation serves as a local realization of the nonlocal electrostatic interaction energy. Exploiting this structure, we formulate each time step as a constrained convex minimization problem where the ionic continuity equations and the Poisson equation are incorporated as linear constraints, allowing the concentrations, fluxes, and electrostatic potential to be updated simultaneously. The variational structure of the scheme intrinsically guarantees the dissipation of the original free energy, mass conservation, and nonnegativity of ionic concentrations under general electrostatic boundary conditions. Moreover, the framework is structurally modular: extending from classical to modified PNP models with steric interactions and concentration-gradient corrections requires only modifying the energy functional, while all structure-preserving properties are automatically retained. To efficiently solve the resulting large-scale constrained problems, we develop preconditioned and transformed primal--dual algorithms equipped with tailored fast dual solvers, namely DCT-based direct and Schur-complement iterative methods, that exploit the coupled block structure of the PDE constraints. Numerical experiments on classical and modified PNP systems demonstrate the accuracy and structure-preserving properties of the scheme, and show that the proposed algorithms converge reliably in strongly coupled small-permittivity regimes without significant growth in computational cost.

math.NA

Solving the Incompressible Navier-Stokes Equations on Oriented Curved Surfaces Discretized by Point Clouds

We present a meshfree numerical solver for the incompressible Navier-Stokes equations on oriented curved surfaces that are represented by surface point clouds. On curved surfaces, numerical challenges pertaining to stiffness and pressure-velocity coupling are exacerbated. Moreover, vector calculus on curved surfaces differs from its Euclidean counterpart. The presented method operates on surface point clouds in an Eulerian frame of reference without requiring a computational grid or mesh. It achieves consistent approximation in space and time with high order of accuracy; we demonstrate up to order six. The incompressibility constraint is locally imposed as a weak artificial compressibility approximation, avoiding global matrix inversion. We show that the method provides consistent and convergent approximations of surface vector fields and differential operators. We study the relationship between error, spatial resolution, and artificial Mach number and characterize the frequency spectrum of the artificial oscillations. We provide numerical solutions of the incompressible Navier-Stokes equations on symmetric surfaces, such as the sphere and torus, and on parametric and non-parametric asymmetric surfaces. Since the proposed method works directly on unstructured surface point clouds, it provides a promising approach for simulations on image-derived geometries, such as in biological morphogenesis from microscopy videos.

math.NA

Wigner-Eckart Factorization of the Polyatomic Boltzmann Collision Operator

We extend the Wigner-Eckart factorization of the spectral Boltzmann collision operator to polyatomic gases with continuous internal energy. Because internal energies are invariant under spatial rotations, the SO(3) reduction survives the Borgnakke-Larsen energy exchange, and the twelve-dimensional collision integral collapses onto a nine-dimensional kinematic core. The core splits into a sparse geometric tensor, evaluated exactly, and a dense physical tensor, integrated by singularity-resolving Gauss rules with an auxiliary Laplace representation of the fractional energy couplings. The quadrature attains near machine precision at the fractional exponents of real gases. The collision invariants are embedded exactly, preserving the translational-internal energy exchange. The factorization compresses the operator by three to nearly four orders of magnitude and accelerates its evaluation 40-fold over dense formulations. The method is validated against the exact monatomic limit, Landau-Teller relaxation, and an analytic frozen-channel Prandtl number, and it matches a published calibration of the same kernel for N2, CO, and H2.

math.NA

Diffusion-Based Inverse Design of Dielectric Resonator Metasurfaces for Shaping Smart Electromagnetic Environments

Future wireless systems are expected to transform the surrounding space from a passive propagation medium into a smart electromagnetic environment, where engineered surfaces control wave propagation, support wireless sensing, and create programmable electromagnetic fingerprints. A key challenge in realizing this vision is the inverse design of metasurfaces for tailored electromagnetic propagation. While forward analysis evaluates the response of a known geometry, the inverse task starts from a prescribed scattering signature and seeks a physically realizable structure that produces it. This inverse task is inherently nonlinear and often high-dimensional, while candidate solutions may be non-unique and provide no direct indication of practical realizability. Here, we introduce a conditional diffusion framework for inverse design of dielectric resonator metasurfaces from target angular scattering patterns. Trained on T-matrix simulated geometry-response pairs, the model learns a conditional distribution of geometries instead of a deterministic mapping, enabling multiple candidate designs for the ill-posed inverse problem. The best generated metasurface achieves a mean percentage error of 1.39%, outperforming CMA-ES optimization (4.1% after 10 h) while requiring only about one minute for after-training inference. The model also produces lower error distributions than deterministic neural baselines for out-of-distribution spectra, highlighting the potential of diffusion models for efficient metasurface design.

cs.LG

Entropy-Stable and Physical-Constraint-Preserving DGSEM for Symmetry-Reduced General-Relativistic Hydrodynamics on Stationary Spacetimes

We develop an entropy-stable and physical-constraint-preserving discontinuous Galerkin spectral element method for symmetry-reduced general-relativistic hydrodynamics on prescribed stationary spacetimes. Using a local orthonormal transformation, the fluid variables are expressed in a form for which the relativistic hydrodynamic algebra and the admissible set are independent of the spatial metric, while the spacetime geometry enters through stationary coefficients. This separation allows entropy-conservative special-relativistic fluxes to be combined with a compatible discretization of the geometric source terms. On affine tensor-product meshes, the resulting DGSEM is conservative and satisfies a semidiscrete entropy inequality, while the transformed variables provide a convex framework for physical-constraint preservation. For practical stabilization, we use a geometry-only causal speed that is sufficient for both classical local Lax--Friedrichs entropy dissipation and the physical-constraint-preserving Lax--Friedrichs splitting. The fully discrete method combines this stabilization with SSP Runge--Kutta time stepping, oscillation elimination, and conservative local-orthonormal-state scaling. Numerical experiments cover smooth and strongly shocked special-relativistic flows, an axisymmetric jet, stationary Michel accretion, Schwarzschild Bondi--Hoyle flow, and four Kerr accretion cases. The results demonstrate the designed high-order accuracy in smooth regimes and robust performance for demanding relativistic flows on curved stationary backgrounds.

math.NA

A Spectral Identifiability Threshold for Dissipative Rate Recovery from Truncated Liouvillian Spectra

Open quantum systems lose energy and phase coherence through different dissipative processes, but these processes can produce overlapping dynamical signatures. The Liouvillian spectrum summarizes how such a system relaxes, yet it is not obvious how much of that spectrum is needed to distinguish the underlying dissipation rates. We study this question for amplitude damping and dephasing in a six-qubit Lindblad model whose spectrum can be derived analytically. We retain only the slowest non-steady spectral modes and ask how many are required before each dissipative rate becomes recoverable. We show that population modes contain no dephasing information, which creates a lower bound of D = 2^n retained modes for uniform dephasing identifiability in the relevant rate regime. The measured recovery threshold reaches this bound at n = 4,5,6, while n = 3 remains above it. At n = 6, least squares achieves a mean joint absolute error of order 10^-9, compared with 4.355 x 10^-4 for four tabular learning methods. Robustness tests show that this advantage weakens when the spectra are perturbed and when a transverse field breaks the commuting structure. These results show that the amount and structure of retained spectral information can determine whether dissipative parameters are recoverable, independently of the estimator used. The present conclusions apply to noise-free simulator spectra rather than measurement-derived spectra.

cs.LG

Examining the robustness of Physics-Informed Neural Networks to noise for Inverse Problems

Approximating solutions to partial differential equations (PDEs) is fundamental for the modeling of dynamical systems in science and engineering. Physics-informed neural networks (PINNs) are a recent machine learning-based approach, for which many properties and limitations remain unknown. PINNs are widely accepted as less computationally efficient and accurate than traditional methods for solving PDEs, such as the finite element method. However, PINNs are commonly claimed to show promise in solving inverse problems and handling noisy or incomplete data. We compare the performance of PINNs in solving inverse problems with that of a traditional approach using the finite element method combined with a numerical optimizer. The models are tested on viscosity identification in 1D Burgers' equation and in 2D/3D Taylor-Green Vortex, in all cases with additive Gaussian noise applied to training and validation data. We find that while PINNs may require less human effort and specialized knowledge, they are outperformed by the traditional approach. For example, for 2D Taylor-Green Vortex with $σ$=1 noise, the baseline has a mean prediction RMSE of 0.0013 compared to 0.01 for the best PINN variation. However, PINNs scale better than the baseline with the computational complexity of the problem. We identify failures during training to be addressed if the PINN performance on noisy inverse problems is to become more competitive.

physics.comp-ph

Operator Learning for Predicting Bulk Wave Parameters of Spectral Wave Models

The impact of wave-induced forcing on the mean water level and nearshore currents is typically modeled through excess momentum fluxes, also known as radiation stresses, and their spatial gradients. Accurate storm surge prediction requires coupled circulation and wave models, but the high computational cost of numerical wave models limits their temporal resolution. In this work, we explore a proof-of-concept application of Deep Operator Networks (DeepONets) as a surrogate for the Simulating WAves Nearshore (SWAN) numerical wave model. Unlike grid-dependent surrogate models, DeepONets learn the underlying continuous operator, and thus, can provide highly efficient prediction while enabling discretization-invariant inference. The proposed surrogate model is evaluated using two distinct 1-D and 2-D steady-state numerical examples with variable boundary wave conditions and wind fields. When applied to a realistic numerical example of steady-state wave simulation in Duck, NC, the DeepONet surrogate improves computational efficiency by four orders of magnitude. Furthermore, the model demonstrates consistently high accuracy in predicting the significant wave height and the x- and y- components of the radiation stress gradient, by achieving relative L_2 errors bounded by 1.91%, 10.98%, and 6.88%, respectively, across all unseen test scenarios.

physics.comp-ph

SDF-Aware Weighting: Adaptive Eikonal Regularisation for Three-Dimensional Level-Set Physics-Informed Neural Networks

Adaptive loss-balancing schemes for physics-informed neural networks rest on a premise that every residual should be driven to zero. For level-set advection with an eikonal regulariser that premise fails: the eikonal term penalises deviation of $\lVert\nablaϕ\rVert$ from unity, a property transport preserves only under rigid motion; where the exact solution departs from a signed-distance function the eikonal residual of the correct answer is nonzero, and driving it to zero moves the network away from that answer. We show that standard gradient-norm balancing fails in exactly this way, its weight remaining near its initial value throughout training on benchmarks where the property is violated, and we introduce SDF-Aware Weighting (SAW), which combines a residual-quantile gate with a gradient-norm ratio so that points exhibiting legitimate departure are excluded before the surviving term is scaled. Across four three-dimensional benchmarks SAW selects an eikonal weight within an order of magnitude of the value located by an eighteen-run manual sweep, spanning four decades from $10^{-1}$ to $10^{-5}$ with a single fixed configuration. On the slotted sphere, where the initial field is non-differentiable at reentrant edges, SAW attains a lower error than any weight in that sweep. Two smooth rigid benchmarks serve as controls: SAW is worse there, as expected when its premise does not hold. An ablation with the gate disabled shows the slot is nearly entirely filled while the relative $L_2$ error reads $1.06\%$, indistinguishable from a field that never represented the slot. We give a feature-restricted measure that separates the two cases.

physics.flu-dyn

Beyond Pairwise Graphs in Science: Hypergraph Adaptive Wavelet Operators for Parametric PDEs

Physical systems are often modeled by solution operators that map input fields, parameters, geometries, or past states to steady or future physical states. Learning these maps is difficult, especially for time-dependent systems that must assimilate history and remain stable under autoregressive rollout. Many neural operators work best on regular, structured grids, while realistic simulations often require unstructured meshes or point clouds to resolve complex geometries; in such settings, grid-centric representations can lose accuracy. Graph neural operators handle these domains through message passing or spectral graph filtering, but pairwise edges do not directly capture group-wise couplings among mesh cells, local neighborhoods, or conservation volumes. We introduce the Hypergraph Adaptive waveLet Operator (HALO), which lifts the domain to a hypergraph and learns in its spectral wavelet domain. HALO avoids explicit hypergraph-Laplacian eigendecomposition through Chebyshev polynomial wavelet filters, giving localized spectral kernels at linear sparse-matrix cost. Its trainable dyadic wavelet scales are regularized toward tight-frame coverage, allowing the frequency response to adapt to each PDE while encouraging stable multi-scale spectral coverage. Across 2D and 3D benchmarks on structured and unstructured discretizations, HALO achieves best or near-best accuracy among frequency-, transformer-, DeepONet-, state-space-, and graph-based baselines and sustains stable multi-step rollouts. The same model scales to industrial aerodynamic geometries: on meshes of a few hundred thousand points it is on par with, or better than, the strongest fixed-discretization transformers, while remaining resolution-equivariant.

cs.LG