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arXiv2026

Accelerated S-NFC for Million-Chaff RCS Computation Using Low-Rank Compression of Concatenated Block Rows

Sparsification via neglecting far-field coupling (S-NFC) enables fast full-wave radar-cross-section analysis of large-scale chaff clouds by retaining only significant local electromagnetic interactions. This letter further accelerates S-NFC by concatenating the retained off-diagonal interaction blocks associated with each receiving chaff element and applying a joint low-rank factorization with a shared receiving-side basis. Exact self interactions are preserved, while repeated chaff templates reuse precomputed lower--upper factorizations of the self-interaction blocks. The compressed formulation reduces retained-coupling storage and matrix--vector multiplication cost and also decreases the number of iterations required by the generalized conjugate residual solver. Numerical tests with 100,000 chaff elements demonstrate sub-$1\%$ complex-far-field error for low-rank approximations in sparse regimes and identify a practical self-only limit at sufficiently large mean spacing. For a one-million-chaff plume, the proposed compressed S-NFC achieves a $6.92\times$ end-to-end speedup over uncompressed S-NFC while storing only $6.60\%$ of the retained coupling, with a complex-far-field error of $0.253\%$.

physics.comp-ph↗
arXiv2026

Geometric integrators for adiabatically closed simple thermodynamic systems

A variational formulation for non-equilibrium thermodynamics was developed by Gay-Balmaz and Yoshimura. In a recent article, the first two authors of the present paper introduced partially cosymplectic structures as a geometric framework for thermodynamic systems, recovering the evolution equations obtained variationally. In this paper, we develop a discrete variational principle for adiabatically closed simple thermodynamic systems, which can be utilised to construct numerical integrators for the dynamics of such systems. The effectiveness of our method is illustrated with several examples.

math-ph↗
arXiv2026

A Sensor-Adaptive Incremental Learning Framework for Artifact Detection in Satellite Precipitation Data

Historically, retrieving rainfall data from satellite imagery has been the domain of space agencies. However, in recent years, the development of cheaper, more compact satellites (SmallSats) capable of detecting rainfall proxies has led to a significant increase in private-sector initiatives for satellite launch and surface precipitation products. This rapid growth has yet to be matched by data validation efforts. Consequently, the need for a robust tool to detect anomalies in near-real-time data before it is disseminated to the public has become critical. In this paper, we present the development of an anomaly-detection system to identify artifacts in global satellite-based rainfall products. The developed framework leverages pre-trained computer vision models and incorporates scarce human-labeled data to detect specific anomalies. Our proposed anomaly detection strategy is tested on data from the Special Sensor Microwave Imager (SSMI) and the Special Sensor Microwave Imager/Sounder (SSMIS). Results demonstrate the efficacy of our approach at separating regular orbits from artifact-containing orbits for each satellite, with performance comparable to state-of-the-art in-place methods. Additionally, the framework offers explainability and the capacity for iterative refinement following false-positive or false-negative classifications.

physics.ao-ph↗
arXiv2026

Why Multi-Layer Message Passing Works: Completeness Theory for Graph Neural Network Interatomic Potentials

We prove that the Hypergraph Neural Network, an invariant architecture with 3-body message passing, is a universal approximator for potential energy surfaces. Our main contribution is a multi-layer completeness theory. We show that $L$ layers of message passing on sparse, cutoff-based graphs achieve the same representational power as having access to the full $L$-hop neighborhood, provided the configurations are generic, satisfy an overlap condition and a connectivity condition. This provides the first rigorous justification for the common practice of using multi-layer message passing with a per-layer cutoff smaller than the physical interaction range, the setting used by virtually all practical graph neural network based machine-learned interatomic potentials. As immediate consequences, we show that both DPA3 and CHGNet architectures inherit universal approximation.

cs.LG↗
arXiv2026

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↗
arXiv2026

BEAM3R: Beam's-eye-view architecture with Mamba-3 for implicit dose reconstruction

To enable accurate and rapid photon control point and proton beamlet dose calculation in the DoseRAD2026 challenge, we present BEAM3R, a dose estimation framework operating in beam's-eye-view (BEV). Our core innovation combines a Mamba-3 state-space depth-sequence core with physics-based transport conditioning to model long-range depth transport without expensive 3D convolutions. BEAM3R shares a 2D CNN encoder-decoder architecture for photon and proton dose tasks, processing per-plane BEV slices. Proton beamlets are conditioned on water equivalent thickness and remaining range, encoding the parameters determining Bragg peak position. Photon models use a bidirectional Mamba-3 core to capture dose contributions from materials downstream of the calculation point, while the proton model uses a forward core with learned energy-prefix tokens and a Bragg-peak refinement module. To reduce interpolation artifacts and support high spatial resolution, we introduce axial grid alignment of BEV lattices with CT slices and an implicit super-resolution representation via sub-pixel phase packing, evaluated by a differentiable Triton-accelerated resampler that reconstructs packed cubic B-spline coefficients directly in CT space. For MRI-based tasks, synthetic CTs (sCT) are generated by a patch-based conditional GAN with a SwinUNETR backbone. On the preliminary DoseRAD2026 test set, CT-to-photon and CT-to-proton models achieved 1%/1 mm local gamma pass rates of 96.8% and 96.0%, with stratified plan-level MAEs of 0.0041 and 0.0079. Substituting sCT reduced gamma pass rates to 89.7% for photon and 75.4% proton plan level doses, with stratified plan-level MAEs of 0.0093 and 0.0336. Standardised runtimes were 23.4 s and 18.4 s for CT-to-photon and CT-to-proton prediction, increasing to 39.7 s and 42.8 s for the corresponding MRI-based pipelines.

physics.med-ph↗
arXiv2026

AdaptNTK: Adaptive Uncertainty Quantification and Active Learning for Neural Network Potentials

Machine learning interatomic potentials bridge the gap between quantum chemical precision and classical computational speed, enabling molecular dynamics simulations with first-principles accuracy. Their reliability is often improved through active learning, which iteratively expands the training set by identifying uncertain, out-of-distribution configurations. Existing uncertainty-quantification methods often involve a trade-off between computational cost and reliability, and generally cannot account for redundancy as an acquisition batch is assembled. Here, we introduce AdaptNTK, a single-model framework that measures uncertainty as a regularized Mahalanobis distance in empirical neural tangent kernel (NTK) feature space. With the NTK features fixed during acquisition, the uncertainty depends on the acquired configurations but not their reference labels. This allows the uncertainty to be updated recursively after each selection without retraining, reducing redundancy within an acquisition batch. On held-out rMD17 data, AdaptNTK achieves the highest mean correlations with force errors (Spearman 0.68, Pearson 0.71) and matches a three-member ensemble in error retention. In active learning experiments, AdaptNTK achieves the lowest force errors across rMD17 and Transition-1X, with particularly strong performance on transition-state configurations in Transition-1X. AdaptNTK provides a 2.6-fold speedup per Transition-1X cycle relative to the ensemble, providing efficient single-model uncertainty estimation with sequential updates for data-efficient active learning.

cs.LG↗
arXiv2026

MRpro: open framework for model-based, learned, and quantitative MR imaging

We preseent an open-source image reconstruction package built upon PyTorch, enabling modern deep-learning reconstructions. It uses open data formats for input and output (ISMRMRD, DICOM, NIfTI), allowing easy integration into existing pipelines and support for data from different devices. The framework comprises three main areas. First, it provides unified data structures for the consistent manipulation of MR datasets and their associated metadata (e.g., k-space trajectories). Second, it offers a library of composable operators, proximable functionals, and optimization algorithms, including a unified Fourier operator for all common trajectories and operators specifically developed for low-field applications, such as a B0-correction operator. These components are used to create ready-to-use implementations of key reconstruction algorithms. Third, for deep learning, MRpro includes essential building blocks such as data-consistency layers, differentiable optimization layers, state-of-the-art backbone networks, and access to public datasets to facilitate reproducibility. We demonstrate MRpro across automatic reconstruction, iterative SENSE, deep-learning-based reconstruction, and quantitative parameter estimation. Applications use public and simulated datasets and measured lowfield data acquired at 0.3 T, 0.6 T, and 47 mT.

eess.IV↗
arXiv2026

Neural Logic, Invariance, and the Retina---McCulloch and Pitts

This chapter reconstructs the McCulloch-Pitts program as a physics of neural computation rather than the familiar cartoon of a binary neuron. The 1943 logical calculus is developed in both directions: given a net, characterize the propositions realized by its activity; given an admissible logical expression, construct a net that realizes it. We recover the original distinction between thresholded excitatory summation and absolute inhibitory veto-one the weighted-threshold form cannot preserve for arbitrarily large excitatory inputs-and read unit-time delay as the physical realization of logical depth. Recurrence is treated exactly: an autonomous, deterministic network of finitely many binary units has a finite state space, so every trajectory eventually enters a periodic orbit-a fact about finite-state dynamics, not unbounded Turing computation. A single threshold element realizes only linearly separable Boolean functions, whereas finite feedforward networks of them synthesize any Boolean function on a finite domain. We then follows McCulloch and Pitts beyond threshold logic. The 1945 heterarchy paper turns cyclic preference into an obstruction to representation by a scalar utility. The 1947 work on universals asks how a physical network can identify inputs related by nuisance transformations, developed here via group averaging and feedback canonicalization. The 1959 frog-retina study makes the adequate-stimulus question experimental, revealing parallel invariant operations before the brain proper. Spike-triggered analysis shows how a nonlinearly driven neuron can have a vanishing first-order average while second-order statistics recover its hidden selectivity: methodological failure can masquerade as physiological absence. Modern mathematical tools are used without projecting their notation onto the historical papers, and limitations of the idealization are stated explicitly.

q-bio.NC↗
arXiv2026

Functional Connectivity Networks for Transportation Delay Analysis: from Theory to Software

Within the endeavour of modelling and understanding the propagation of delays in transportation networks, an approach that has attracted increasing interest in the last decade is the creation of functional network representations. These graphs map elements of interest (e.g. airports or stations) as nodes, and derive pairwise propagation patterns from their dynamics through correlation and causality tests. In spite of multiple notable results, this approach still lacks a coherent framework, with decisions related to many fundamental steps being left to the judgement of the researcher. We here provide an introduction to the theory behind functional networks for transportation systems, detailing the main steps and the associated pitfalls. We further introduce a Python package, delaynet, designed to support the researcher in the reconstruction and analysis of such networks. We finally present an analysis of the propagation of delays in the Swiss train system; and discuss future research steps.

physics.soc-ph↗
arXiv2026

An Energy-Based Conservative-Dissipative Latent Neural Evolution Operator for Magnetization Dynamics

We develop an energy-based reduced-order model for micromagnetic magnetization dynamics that couples a convolutional autoencoder to a structured latent neural ordinary differential equation. Motivated by the precessional-dissipative structure of the Landau-Lifshitz-Gilbert equation, the latent vector field is generated from the gradient of a learned scalar potential through an antisymmetric operator and a symmetric positive-semidefinite dissipative operator. This potential is learned in nonunique latent coordinates and is not identified with the Gibbs free energy, but decreases monotonically along autonomous continuous-time solutions, while the antisymmetric component permits motion along its level sets. The encoder, decoder, latent energy, and operators are trained jointly on short trajectory windows using latent and decoded-rollout losses alone, without time-derivative supervision, physical-energy labels, or dissipation penalties. At inference, an initial state is encoded once, evolved in latent space, and decoded only at the requested output times, enabling substantially cheaper trajectory prediction than the micromagnetic solver used to generate the training data. We compare quadratic, deep, and additive deep-quadratic latent energies on two datasets parameterized by field amplitude and generated for the two applied-field directions of the NIST $μ$MAG Standard Problem 4. Dissipative-only and antisymmetric-dissipative models achieve comparable accuracy on short training-style windows but differ substantially on uninterrupted rollouts, for which the antisymmetric-dissipative models provide markedly more accurate trajectory predictions. The deep-quadratic energy gives the best overall accuracy for both field directions and exhibits slower error growth when rollouts are extended to twice the training horizon.

cs.LG↗
arXiv2026

Physics-informed learning for the inverse problem in resonant ultrasound spectroscopy

Inferring elastic constants from resonant ultrasound spectra is a nonlinear and typically overdetermined inverse problem based on finite spectral data. We formulate the Rayleigh-Ritz inverse problem as a constrained inverse-isospectral problem on the set of physically admissible elasticity tensors. This induces effective low-dimensional variables for the inverse map on the admissible elasticity manifold: length and elastic scales, aspect-ratio coordinates, scale-free spectral features, and stability-respecting elastic ratios. We use these variables to construct a physics-informed learning pipeline in which a regression model acts only on reduced spectral and geometric features, while scale recovery and final elastic-constant reconstruction are imposed analytically. For the full cubic benchmark, the reconstructed constants have MAE values of $20.37(35.15)$, $24.30(41.33)$, and $2.13(3.66)~\mathrm{GPa}$ for $C_{11}$, $C_{12}$, and $C_{44}$. In the fixed-geometry benchmark, the corresponding cubic MAPE values are $4.14(3.87)\%$, $8.31(8.50)\%$, and $2.44(2.86)\%$, while the isotropic values are $4.0(3.6)\%$ and $0.4(0.3)\%$ for the bulk and shear moduli. The inverse problem then becomes a constrained regression problem in variables adapted to the geometry, scaling, crystal symmetry, and thermodynamic stability of Hookean elasticity.

cond-mat.mtrl-sci↗
arXiv2026

Learning Spectral-Like Mesh-Free Discretisations

Meshfree methods such as smoothed particle hydrodynamics (SPH) with kernel corrections, radial basis function-generated finite differences (RBF-FD), and the local anisotropic basis function method (LABFM) construct discrete differential operators by imposing polynomial consistency on a local stencil. For stencils containing more nodes than there are consistency constraints, the resulting linear system is underdetermined, and the remaining degrees of freedom are fixed implicitly by the choice of kernel, basis preconditioning, or a minimum-norm condition. Polynomial consistency constrains the operator only in the low-wavenumber limit, and no part of the construction selects for accuracy at the wavenumbers where fine-scale content resides. We introduce Spectral-like Neural Discretisation (SpeND), in which the choice of those degrees of freedom is cast as a learning problem: stencil weights are parametrised by a neural network conditioned on the local node geometry, trained to approximate the modal response of a spectral operator over the resolvable band. A hard-constrained projection layer maps the network output onto the affine subspace of consistent weights, so that polynomial consistency holds exactly by construction rather than as a penalty. Training is self-supervised and physics-agnostic, requiring no reference solutions; the objective minimises dispersion and dissipation error over a prescribed band-limited function space. Modal analysis on disordered two-dimensional node distributions shows that the learned fourth-order operator follows the exact response over a substantially wider band than either explicit LABFM at equal stencil size or fourth-order finite differences on a structured grid, whilst recovering the expected fourth-order convergence rate under refinement.

physics.comp-ph↗
arXiv2026

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↗
arXiv2026

A brief history of quantum vs classical computational advantage

In this review article we summarize all experiments claiming quantum computational advantage to date. Our review highlights challenges, loopholes, and refutations appearing in subsequent work to provide a complete picture of the current statuses of these experiments. In addition, we also discuss theoretical computational advantage in example problems such as approximate optimization and recommendation systems. Finally, we review recent experiments in quantum error correction -- the biggest frontier to reach experimental quantum advantage in Shor's algorithm.

quant-ph↗
arXiv2026

Physics-Guided Concentration Inference from Resistance Transients in a Mixed-Phase SnO-SnO$_2$ Carbon Monoxide Sensor with p-n Switching

This work presents a physics-guided machine-learning framework for carbon monoxide concentration inference from experimentally measured resistance transients of a mixed-phase SnO-SnO$_2$ material gas sensor exhibiting temperature-dependent p-n switching behavior. Cycle-level transient responses are represented through physically interpretable descriptors and complemented by compact fast Fourier transform (FFT) and discrete wavelet transform (DWT)-based summaries. Using leakage-aware grouped cross-validation, we study both multi-class concentration classification and continuous concentration regression for the p-type and n-type sensing regimes separately. Across both regimes, fused features provide the strongest overall performance, while the physics-guided descriptor block remains highly competitive, indicating that the dominant concentration information is already encoded in physically meaningful transient dynamics. The p-type branch shows the best concentration-class discrimination, with the fused Random Forest classifier reaching approximately $96.5\%$ accuracy, whereas the n-type branch yields the best quantitative concentration estimation, with the fused Random Forest regressor achieving an MAE$\approx 1.48$ ppm and an R$^2$ $\approx 0.992$. These results reveal a clear dual-regime behavior: p-type sensing is particularly favorable for classification, whereas n-type sensing is more favorable for high-fidelity regression. More broadly, the study demonstrates that leakage-aware, cycle-level, physics-guided machine learning can extend conventional gas-sensing analysis beyond single-response metrics while preserving physical interpretability

physics.chem-ph↗
arXiv2026

GadIR: A Spatial-Topology Preserving Compiler for Quantum Many-Body Systems Simulation

Simulating quantum many-body systems has been one of the most important applications of quantum computation. For simulation, the Hamiltonian of a physical system is compiled into quantum programs with native instructions for quantum hardware. In previous works, the Hamiltonian is represented as Pauli strings, then compiled and optimized based on the quantum circuit model. Such representation paradigm neglects the spatial topology of original physical models, which is vital information to reducing the overhead of compiling many-body systems Hamiltonians. To address such neglect, we introduce a spatial-topology preserving compiler for quantum many-body simulation. Using Pauli gadgets as the representations of the Hamiltonian, we introduce our intermediate representation -- GadIR, to preserve the spatial-topology information of original physical models. Our compiler frontend performs the group reduction algorithm based on Pauli gadget model, which is a hardware-independent optimization. Our compiler backend performs trotterization and scheduling on Pauli gadgets, then synthesizes the Pauli gadgets into hardware-native quantum programs. We evaluate our compiler on all the canonical quantum many-body system models, while achieving a significant reduction on compilation overhead regarding four major quantum architectures. Overall, our spatial-topology preserving IR exploits the compilation optimization space for quantum many-body systems Hamiltonian.

quant-ph↗