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arXiv2026

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↗

arXiv2026

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↗

arXiv2026

Variational Continuation for Double Pendulum Periodic Orbits

We present a Hessian-based approach to numerically continue periodic orbits in dynamical systems. A loop (periodic orbit candidate) is parametrized as a Fourier series; a loss function is defined based on the deviation of the loop from the physical differential equations. Unlike previous work relying on hand-derived Jacobians, our method automates the process by leveraging automatic differentiation, a common machine learning technique. The continuation direction can be determined by the flat directions of the loss landscapes (directions with zero eigenvalues), making the search of periodic orbits efficient and guided. Our method is integrator-free, precisely initializes oscillations around unstable fixed points, and efficiently detects orbit family intersections and subharmonic bifurcations. As a demonstration, we present full continuations of periodic double pendulum oscillations from fixed points, showing bifurcations along orbit families and categorizing branches of periodic orbits. In particular, we find periodic orbits where both pendulum masses are never simultaneously at rest, which to our knowledge has been missing in the literature.

cs.LG↗

arXiv2026

Comparing Classical and Quantum Machine Learning for Regression in High Energy Physics Collision Data

The classification and regression of particle collision events constitute a persistent computational challenge in experimental high energy physics, where large volumes of simulated data must be processed with both speed and precision. This work carries out a systematic comparison of four classical machine learning architectures, support vector machines (SVM), artificial neural networks (ANN), convolutional neural networks (CNN), and long short-term memory (LSTM) networks against their quantum counterparts: quantum SVM (QSVM), quantum neural networks (QNN), quantum CNN (QCNN), and quantum LSTM (QLSTM). All models are trained on simulated proton-proton collision events with electron-positron and muon-antimuon final states from the CERN Open Data portal, using transverse-momentum components as input features and transverse-momentum magnitude as the regression target. Classical architectures, and in particular the CNN and LSTM, achieve marginally better quantitative performance under current hardware and dataset constraints. Quantum models, however, reach competitive accuracy with substantially fewer trainable parameters: the QCNN reproduces the performance of the deep classical CNN using only four qubits and a circuit of depth three, pointing to a genuine parameter-efficiency advantage on near-term quantum devices. A baseline analysis confirms that the regression problem is non-trivial for shallow polynomial fits, supporting the relevance of the architectural comparison. These results characterize the trade-offs between classical and quantum approaches under realistic, resource-constrained conditions and provide a benchmark for future studies on actual quantum hardware.

cs.LG↗

arXiv2026

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↗

arXiv2026

Introducing SINFONIA: Symplectic, slimplectic and Magnusian (Neural) Flows for Orbital Numerical Integration and Acceleration

Long-duration gravitational-wave modelling must resolve fast orbital motion together with slow dissipative evolution while preventing small numerical errors from accumulating into secular phase drift. Here we ask whether the finite-time evolution map itself can be learned as an explicit, differentiable, structure-preserving object and then repeatedly composed through a complete inspiral. We construct three neural-flow architectures: a symplectic and slimplectic flow on Galley's doubled phase space, [SINFONIA-J0]; a Taylor-anchored flow, [SINFONIA-J1]; and a Magnusian flow that learns the finite-time dissipative correction in the interaction picture, [SINFONIA-J2]. Applied to a 2.5PN neutron-star inspiral, all three expose the same controlling mechanism: long-time accuracy is governed not by pointwise map error alone, but by its signed projection onto a single secular channel fixed by energy--angular-momentum balance. Encoding this structure allows the learned maps to remain accurate through $10^{2}$--$10^{5}$ window compositions to coalescence at timesteps of a full orbital period and beyond, reaching chained phase errors orders of magnitude below a benchmark slimplectic integrator at lower cost. The same secular structure can also be exploited for physics inference: when the channel is left unconstrained, the accumulated phase retains enough information to recover an un-modelled dynamical-friction-like force, both parametrically and as a learned function of separation. Network-off controls isolate the contribution of learning from the analytic structure already built into each map. These results establish a proof of concept for structure-preserving learned evolution maps as tools for fast long-duration integration and physics inference in gravitational-wave source modelling.

gr-qc↗

arXiv2026

Towards Large-Scale Heterogeneous Data Organization for Scientific Foundation Models: A Nuclear Fusion Case Study

Training effective foundation models requires massive and organized datasets, yet scientific domains such as nuclear fusion present unique challenges due to largely heterogeneous and sparse data. Here we characterize the data used in developing such a model: with over 20 sensor types spanning 5 orders of magnitude in sampling rate, mixed tensor structures (point measurements, spectrograms, images), and nonstationary physics. We analyze our input complexity and discuss trade-offs between temporal context and frequency resolution. Our analysis provides a template for representing multi-modal fluctuation data at scale, with implications for both multi-modal control systems and nuclear fusion.

physics.plasm-ph↗

arXiv2026

Recovering molecules from coarse-grained beads: free-energy-conditioned generative backmapping across chemical space

Transferable coarse-grained (CG) force fields compress chemical space: by aggregating atoms into a reduced set of interaction beads, models such as MARTINI reduce the number of distinguishable compounds by roughly three orders of magnitude, making high-throughput screening of thermodynamic properties tractable across soft matter, with drug--membrane permeability as a well-developed example. The compression is lossy and, so far, one-way: a screen returns a combination of beads, with no established route back to the compounds it stands for. Recovering those compounds--compositional backmapping--is a one-to-many inverse map, distinct from the better-studied conformational problem of rebuilding atomic coordinates from a known mapping. Here we formulate compositional backmapping as conditional graph generation by introducing juniper, a discrete denoising diffusion model over molecular graphs conditioned on the octanol--water partition free energy $ΔG_{\mathrm{W} \mapsto \mathrm{O}}$, the principal driver of MARTINI bead type assignment and hence a proxy for bead identity. Trained on molecules of up to 9 heavy atoms mapped onto one or two beads, juniper generates molecules that are 93\% valid and 92\% unique for two-bead targets, and whose $ΔG_{\mathrm{W} \mapsto \mathrm{O}}$ distributions track the target $ΔG^{\mathrm{CG}}_{\mathrm{W} \mapsto \mathrm{O}}$ linearly ($r^{2} \geq 0.96$), departing only in the hydrophobic and hydrophilic tails. Although the model receives no chemical information beyond a single scalar, the functional groups shift systematically with the imposed free energy, from branched hydrocarbons at the apolar end to amides, imides, and isocyanates at the polar end. A bead combination flagged by a CG screen can therefore be turned into candidate molecules for atomistic study or synthesis.

physics.chem-ph↗

arXiv2026

Separating perception from reasoning in vision-language models: a model-free render ceiling for crystal structures

Multimodal evaluations cannot say whether a vision-language model misread an image or misreasoned about it, because every existing method for separating the two places a second model in the loop. We introduce the render ceiling, a model-free reference for benchmarks built by rendering known objects: inverting the frozen cameras and re-solving cross-view correspondence recovers exactly the answer the images support. We prove the ceiling fails only through an enumerable set of projection coincidences and certify that set empty on 2,160 rendered crystal structures, so every point of a model's deficit belongs to the model. Across fourteen vision-language models, supplying exact geometry as text lifts every model yet closes under half the gap for thirteen, while a supervised vision model with no language component reads the same images at 0.8952, above every vision-language model. The instrument exposes extraction-stage fabrication that downstream accuracy would misattribute to reasoning, yields camera-placement rules for benchmark builders, and transfers to any benchmark with an invertible forward rendering.

cs.CV↗

arXiv2026

Denoising the Deep Sky: Physics-Based CCD Noise Formation for Astronomical Imaging

Astronomical imaging remains noise-limited under practical observing conditions. Standard calibration pipelines remove structured artifacts but largely leave stochastic noise unresolved. Although learning-based denoising has shown strong potential, progress is constrained by scarce paired training data and the requirement for physically interpretable models in scientific workflows. We propose a physics-based noise synthesis framework tailored to CCD noise formation in the telescope. The pipeline models photon shot noise, photo-response non-uniformity, dark-current noise, readout effects, and localized outliers arising from cosmic-ray hits and hot pixels. To obtain low-noise inputs for synthesis, we stack multiple unregistered exposures to produce high-SNR bases. Realistic noisy counterparts synthesized from these bases using our noise model enable the construction of abundant paired datasets for supervised learning. Extensive experiments on our real-world multi-band dataset curated from two ground-based telescopes demonstrate the effectiveness of our framework in both photometric and scientific accuracy.

astro-ph.IM↗

arXiv2026

Mitigating Disease Spread by Design in Refugee and IDP Camps

Disease spread represents an increasing challenge in refugee and internally displaced person (IDP) settlements. The movement and interaction of people within camps is influenced by their layout, which therefore has the potential to significantly affect disease spread. This work aims at creating a methodology to explore the potential effects of different camp layouts as mitigating factors in the spread of diseases within settlements. We showcase proof-of-concept experiments by leveraging the JUNE agent-based epidemic model, discuss the kind of operational insights this methodology can facilitate, and provide a framework for future investigations.

physics.soc-ph↗

arXiv2026

Beyond sensitivity: mechanism-resolved error budgets for designing quantum sensors

Quantum sensors are specified by a headline sensitivity, yet applications also demand accuracy and reliability. The dominant limiter of one metric is often known, but no method resolves how interacting mechanisms combine into a signed, per-mechanism budget for each metric. We introduce a framework that computes a sensor's sensitivity, accuracy, and robustness from one open-system simulation and attributes each to its limiting mechanism. For a nitrogen-vacancy diamond ensemble the attribution inverts across metrics: dephasing limits sensitivity, the thermal ground-state shift limits accuracy, and optical leakage limits robustness. At identical sensitivity the recovered-field bias spans $8$ to $1500$\,nT, so tuning to sensitivity alone can miss the accuracy target by two orders of magnitude. The same modeling transfers to a cesium optically pumped magnetometer recording a human magnetocardiogram. As a digital twin, it predicts the gain from addressing each limiter, so sensors can be designed to the required metrics.

quant-ph↗

arXiv2026

Families of relative periodic orbits in the planar three-body problem via consecutive alignments

Relative periodic orbits (RPOs) are solutions of the three-body problem that are periodic in a uniformly rotating reference frame and, in general, quasi-periodic in inertial coordinates. We present a numerical procedure for computing and continuing one-parameter families of RPOs of the planar Newtonian three-body problem. The method exploits consecutive syzygies, understood here as configurations in which the three bodies are aligned and their velocities satisfy the corresponding symmetry conditions. Matching the positions and momenta at two consecutive alignments reduces the computation of RPOs to a low-dimensional nonlinear problem. Its solutions are then numerically continued, and linear stability is determined from the nontrivial eigenvalues of the rotated monodromy matrix after removing the neutral directions associated with conserved quantities and continuous symmetries. The procedure is applied to several mass distributions and initial configurations, producing families of Poincaré, Hill, and binary-type solutions. These families exhibit transitions from nearly circular to highly eccentric motion, changes of stability near resonances and turning points, and absolute periodic solutions when the rotation angle is a rational multiple of 2π. In the Hill families, the continuation connects satellite configurations with circumstellar motion as the smallest body loses its gravitational binding to the intermediate body. Circumbinary and circumstellar configurations are also obtained in the binary regime. The results illustrate the dynamical diversity of RPOs and provide coherent three-body motions that can be used as prescribed trajectories in restricted four-body models.

math.DS↗

arXiv2026

Structure-Preserving Physics-Informed Neural Network for the Korteweg--de Vries (KdV) Equation

Physics-Informed Neural Networks (PINNs) offer a flexible framework for solving nonlinear partial differential equations (PDEs), yet conventional implementations often fail to preserve key physical invariants during long-term integration. This paper introduces a \emph{structure-preserving PINN} framework for the nonlinear Korteweg--de Vries (KdV) equation, a prototypical model for nonlinear and dispersive wave propagation. The proposed method embeds the conservation of mass and Hamiltonian energy directly into the loss function, ensuring physically consistent and energy-stable evolution throughout training and prediction. Unlike standard \texttt{tanh}-based PINNs~\cite{raissi2019pinn,wang2022modifiedpinn}, our approach employs sinusoidal activation functions that enhance spectral expressiveness and accurately capture the oscillatory and dispersive nature of KdV solitons. Through representative case studies -- including single-soliton propagation (shape-preserving translation), two-soliton interaction (elastic collision with phase shift), and cosine-pulse initialization (nonlinear dispersive breakup) -- the model successfully reproduces hallmark behaviors of KdV dynamics while maintaining conserved invariants. Ablation studies demonstrate that combining invariant-constrained optimization with sinusoidal feature mappings accelerates convergence, improves long-term stability, and mitigates drift without multi-stage pretraining. These results highlight that computationally efficient, invariant-aware regularization coupled with sinusoidal representations yields robust, energy-consistent PINNs for Hamiltonian partial differential equations such as the KdV equation.

cs.LG↗

arXiv2019

Small worlds and clustering in spatial networks

Networks with underlying metric spaces attract increasing research attention in network science, statistical physics, applied mathematics, computer science, sociology, and other fields. This attention is further amplified by the current surge of activity in graph embedding. In the vast realm of spatial network models, only a few reproduce even the most basic properties of real-world networks. Here, we focus on three such properties--sparsity, small worldness, and clustering--and identify the general subclass of spatial homogeneous and heterogeneous network models that are sparse small worlds and that have nonzero clustering in the thermodynamic limit. We rely on the maximum entropy approach where network links correspond to noninteracting fermions whose energy dependence on spatial distances determines network small worldness and clustering.

physics.soc-ph↗

arXiv2026

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↗

arXiv2026

Mapping Dark-Matter Clusters via Physics-Guided Diffusion Models

Galaxy clusters are powerful probes of astrophysics and cosmology through gravitational lensing: the clusters' mass, dominated by 85% dark matter, distorts background light. Yet, mass reconstruction lacks the scalability and large-scale benchmarks to process the hundreds of thousands of clusters expected from forthcoming wide-field surveys. We introduce a fully automated method to reconstruct cluster surface mass density from photometry and gravitational lensing observables. Central to our approach is DarkClusters-15k, our new dataset of 15,000 simulated clusters with paired mass and photometry maps, the largest benchmark to date, spanning multiple redshifts and simulation frameworks. We train a plug-and-play diffusion prior on DarkClusters-15k that learns the statistical relationship between mass and light, and draw posterior samples constrained by weak- and strong-lensing observables; this yields principled reconstructions driven by explicit physics, alongside well-calibrated uncertainties. Our approach requires no expert tuning, runs in minutes rather than hours, achieves higher accuracy, and matches expertly-tuned reconstructions of the MACS 1206 cluster. We release our method and DarkClusters-15k to support development and benchmarking for upcoming wide-field cosmological surveys.

cs.CV↗

arXiv2026

Bubble2Heat: Optical to Thermal Inference in Pool Boiling Using Physics-encoded Generative AI

Phase change process plays a critical role in thermal management systems, yet quantitative characterization of multiphase heat transfer remains limited by the challenges of measuring temperature fields in chaotic, rapidly evolving flow regimes. While computational methods offer temperature data at a high spatiotemporal resolution in ideal cases, replicating complex experimental conditions remains prohibitively difficult. In this paper, we present a deep learning framework that can generate temperature field data at simulation resolution from segmented high-speed recordings and pointwise thermocouple readings which are typically available in a canonical pool boiling experimental configuration without requiring advanced techniques. This framework leverages a conditional generative adversarial network trained only on simulation data. To ensure direct applicability of the model to experimental data, our framework also introduces a preprocessing pipeline that aligns high resolution simulation data with experimental measurements through both conventional image processing and image segmentation with pretrained convolutional neural network. We further show that standard data augmentation strategies are effective in enhancing the physical plausibility of the inference when precise physical constraints are not applicable. Our results highlight the potential of deep generative models to bridge the gap between observable multiphase phenomena and underlying thermal transport, offering a powerful approach to augment and interpret experimental measurements in complex two-phase systems.

cs.LG↗