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physics.comp-ph: explore 63 source-linked works published from 2025 to 2026, with original documents and citations.

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Includes records with this source-supplied label or an explicit phrase match in their metadata. Matches indicate a mention, not proof that a paper uses a method or tests a material. Source versions are consolidated by DOI.

Sources: arxiv. Collection updated 2026-09-16. Counts describe this index, not the complete source archives.

arXiv2026

Direct Numerical Simulation of Thermoacoustically Unstable Flames Via Non-Drifting Acoustic Delay Characteristic Boundary Conditions

Thermoacoustic instability in premixed flames results from the coupling between the flame's heat release, as determined by combustion parameters, and surrounding acoustics, as determined by combustor geometry. A primary instability results in flame flattening as intrinsic flame instability modes are stabilised. Secondary thermoacoustic instability results in a parametric flame instability and drastic growth of acoustic amplitudes. Due to their relative expense, numerical simulations of these phenomena remain scarce. In this work, Direct Numerical Simulations (DNS) of thermoacoustically unstable idealised premixed flames in a tube with acoustically closed upstream and open downstream ends are presented. Results herein demonstrate nonlinear saturation of the primary instability as the flame flattens as well as an oscillating flame fingering characteristic of the unsteady Rayleigh-Taylor effect. To reduce computational cost, we perform DNS only on the region surrounding the flame. Acoustics at in- and outflows are described using the Navier-Stokes Characteristic Boundary Condition (NSCBC) method to model their delayed reentry into the domain in a formulation referred to as the Acoustic Delay Characteristic Boundary Condition (ADCBC) method. A new Averaged Proportional and Integral Linear Relaxation (APILR) method is also introduced, which modifies the Classic Linear Relaxation (CLR) method to maintain time-averaged values of inflow velocity and outflow pressure. Here, an integral control term is used to remove non-zero equilibrium time-averaged inflow velocities which impinge control over flame position. Both new methods demonstrate their capability in inert and counterflow flames test cases. These methods enable the numerical simulation of combustion instabilities at significantly reduced computational expense.

physics.flu-dyn↗
arXiv2026

Analysis of Moment Closures Using $φ$-Divergences for Rarefied Dynamics with Binary Collisions and Their Galerkin Discretizations

This work introduces a robust deterministic framework for approximating solutions of the Boltzmann equation with binary collisions by discretizing their dependence on time, position, and velocity using Galerkin methods. By employing a family of parametric Galerkin closures based on $φ$-divergences in velocity space, we derive rigorous hierarchies of moment equations that govern fluid dynamic variables. Addressing the limitation that these closures alone do not guarantee dissipation of a $φ$-divergence entropy for the true binary collision operator, we restore this property by formulating a compatible approximate collision operator tailored to each closure. This constructed operator intrinsically retains fundamental physical properties essential for high-fidelity flow simulations, including Galilean invariance, exact conservation of mass, momentum, and energy, and strict dissipation of a $φ$-divergence entropy. Furthermore, we show that the resulting closed moment systems are symmetric-dissipative, yielding Cauchy problems that are well-posed locally in time. To translate this mathematical foundation into an efficient computational tool, we discretize the position and time variables with an entropy-stable discontinuous Galerkin (DG) finite element method. The fully implicit, entropy-stable space-time approach enables time steps far beyond typical CFL-limited step sizes and the direct computation of steady states. The robustness and accuracy of the methodology are verified and validated through numerical simulations on the supersonic nozzle flow of argon, mass flow through a channel, and heat transfer between parallel walls, demonstrating agreement with analytical benchmarks, experimental measurements, and stochastic particle simulations.

math.NA↗
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

What Do CAE Simulation Agents Really Need Beyond a Generic Harness?

Computer-aided engineering (CAE) simulation is among the largest and most demanding areas of engineering, where setting up a solver such as OpenFOAM, FEniCS, or COMSOL takes real expertise. Large language model (LLM) agents promise to turn a natural-language request into a working simulation, and recent CAE agents add simulation-specific machinery: multi-agent decomposition, domain retrieval, and scripted reflection. That machinery suited weak base models; modern harnesses already supply multi-turn reasoning, tool use, and execution feedback. We ask what a CAE simulation agent still needs beyond a generic harness. With information access and repair budget held fixed, a single-agent harness matches or beats multi-agent specialized systems (FoamBench 96.4\% vs.\ 88.2\%). Ablations trace this to capabilities the harness already provides: execution-feedback repair lifts FoamBench from 71.8\% with no repair round to 96.4\%, while scripted reflection adds nothing. The one input that still helps is domain knowledge supplied as solver tutorials, our largest measured gain (80.9\% to 96.4\%).

cs.CE↗
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

Constrained dynamics for searching saddle points on embedded Riemannian submanifolds of Euclidean space

Finding constrained saddle points on embedded Riemannian submanifolds of Euclidean space is significant for analyzing energy landscapes arising in physics and chemistry. Existing works exploit explicit global/local regular level-set representations of manifolds, which may be unavailable or computationally inconvenient for manifolds represented through, e.g., projectors, factorizations, or rank constraints. In this paper, we develop a constrained saddle dynamic based on embedded-submanifold geometric primitives, completely avoiding the use of explicit representations. In particular, our dynamic is formulated compactly on the Grassmann bundle of the tangent bundle. By analyzing the Grassmann bundle geometry, we rigorously establish the local linear stability of the dynamic and the local linear convergence of the resulting algorithms. Remarkably, our analysis provides the first iterate convergence result for discretized algorithms to saddle points of prescribed indices in embedded-submanifold settings. Moreover, by virtue of the Grassmann bundle formulation, we remove unnecessary nondegeneracy assumptions on the eigenvalues of the Riemannian Hessian that are present in existing works. We also point out that locating saddle points can be more ill-conditioned than finding local minimizers, and requires using nonredundant parametrizations. Finally, numerical experiments on linear eigenvalue problems and electronic excited-state calculations showcase the effectiveness of the proposed algorithms and corroborate the established local theory.

math.NA↗
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

A meshfree solver for coupled bulk-surface problems with self-organizing surface geometry

In many systems, the interaction between a deformable surface or interface and the surrounding bulk fluid is coupled with intrinsic spatiotemporal dynamics within the moving surface. Examples include tumor growth, biological tissue morphogenesis, cardiac mechanics, multi-phase surfactant chemistry, additive manufacturing, clothing wear-and-tear, and reactive combustion flows. Solving such problems requires both geometric computing algorithms to track and resolve the surface and numerical methods to solve the coupled governing equations in the surface and the surrounding bulk phase. Here, we present a fully meshfree numerical solver for such coupled bulk-surface problems with deformable interfaces. The presented solver tracks the surface implicitly, solving for the dynamic surface geometry based on stress balance coupled to surrounding fluid phases. We show convergence for a mass-conserving case on a growing sphere and solve bulk-surface problems with incompressible Navier-Stokes fluids coupled to in-surface nonlinear reaction-diffusion dynamics. Finally, we show a model of biological morphogenesis, solving simultaneously for the dynamic surface shape and the fields on the curved surface with two-way coupling.

cs.CE↗
arXiv2026

HiPoly: a hierarchical polymer-native AI framework for property prediction and generative design

Polymeric materials are central to modern technologies, with applications ranging from energy to health and transportation. Although AI has made significant advances in materials discovery, the hierarchical structure of polymers across multiple length scales makes them inherently difficult to represent in a unified and physically meaningful way. Here we introduce HiPoly, a polymer-native AI framework that processes complete polymer descriptions through a three-level hierarchical graph architecture built on the G2RINS representation. HiPoly encodes stochastic inter-monomer connectivity, composition, and molecular weight directly within its architecture, using physically motivated design principles that mirror the multi-scale nature of polymeric systems. The framework establishes an end-to-end AI-driven workflow from experimental formulation data to property prediction, generative molecular design, and physics-based validation through molecular simulations, all unified by a single polymer representation. We demonstrate state-of-the-art prediction accuracy for thermophysical properties of multi-component polymer systems, with ablation studies confirming that each hierarchical design choice contributes independently to model performance. As an example, the generative design pathway is applied here to the discovery of sustainable alternatives to persistent fluorinated polymers, where it is possible to identify and independently validate PFAS-free candidates with target surface-energy properties. This work demonstrates how polymer-native AI can accelerate discovery by linking representation, prediction, and design across complex polymer chemistries.

physics.chem-ph↗
arXiv2026

Learning Spectrally Optimised Mesh-Free Discretisations

Numerical methods for partial differential equations (PDEs) discretise differential operators, ideally reproducing the action of the continuous operators across all wavenumbers permitted by a given discretisation. Spectral-type methods approach this ideal, but rely on structured grids or high-order meshes that are hard to generate for complex geometries. In contrast, mesh-free methods are geometrically flexible, yet how faithfully they reproduce the operator across resolved scales is strongly influenced by a heuristically chosen kernel, which selects one of many weight sets satisfying the same consistency conditions without regard to the resulting spectral response. To address this, we introduce Spectrally optimised Neural Discretisations (SpeND), a framework that learns the map from local stencil geometry to discretisation weights on unstructured point clouds. A projection layer constrains every predicted stencil to the affine set defined by the discrete moment conditions, so polynomial consistency, and hence formal order of accuracy, holds exactly. Since consistency is enforced by the architecture, the weights can additionally be optimised for accuracy on a prescribed function space. Herein, we use Fourier modes and target the exact differentiation response over a chosen wavenumber band, so training is unsupervised. The loss function is a design interface: changing how it weights wavenumbers yields operators with distinct accuracy profiles. The trained discrete differential operators are PDE-agnostic and are applied without retraining to the Poisson, Burgers and Navier--Stokes equations, to near-boundary stencils, and across resolutions. At the same order and resolution, SpeND matches or improves on established mesh-free discretisations, and has been shown to reduce the wall-clock time between $3-20\times$ to achieve equivalent error as the baselines.

physics.comp-ph↗
arXiv2026

Equation Recast for Canonical Operator Learning Across Parametric PDEs

Learning solution operators across broad parameter ranges can require substantial coverage of both input functions and physical parameters, particularly for purely data-driven parametric models. In addition, the resulting models may fail silently outside the training distribution. We introduce equation recast, which reformulates parametric operator learning as the learning of a single canonical operator. Parameter-induced operator variations are derived analytically from the governing equation and absorbed into effective sources, enabling zero-shot prediction across new parameter regimes. Across multi-parameter, nonlinear, and singular PDE settings, equation recast supports extrapolation, integrates sparse heterogeneous datasets in a shared canonical representation, and uses loss of convergence as an internal warning signal for failure of the recast iteration. In high-fidelity tokamak simulations for nuclear fusion, the framework unifies electron-temperature data across four device geometries through canonical-domain mapping within one jointly trained operator. Equation recast provides a route toward reusable neural PDE solvers combining equation-guided transfer, data efficiency, and monitorable inference.

cs.LG↗
arXiv2026

Generative Nested Sampling of Atomistic Thermodynamic Landscapes

Nested sampling (NS) resolves the thermodynamics of an atomistic system from a single simulation, but its practical reach is limited by the Markov-chain updates needed to decorrelate walkers within each likelihood-constrained ensemble. Flow-based NS has reduced this bottleneck for gravitational-wave (GW) inference, yet its transfer to atomistic systems is not merely a change of application. Comparing a GW150914-like binary-black-hole likelihood with an eight-particle two-dimensional Lennard-Jones (LJ) system of comparable dimensionality, we show that the two landscapes differ fundamentally: atomistic multimodality is discrete and combinatorial, generated by particle permutations separated by hard collision walls, and its coordinate coupling is dense and collective, whereas the GW posterior exhibits smooth degeneracies and localized parameter coupling. Guided by this diagnosis, we introduce NS-Flows: a single conditional normalizing flow, conditioned on the NS energy bound and trained on a sliding window of recent live sets, that replaces MCMC by direct parallel draws corrected by importance-weighted rejection resampling. Live sets supply the data self-consistently, allowing flow training without structured priors or a pre-existing dataset. For LJ disks under periodic boundary conditions, the algorithm can reduce energy evaluations by two orders of magnitude and wall-clock time by about 30%, an advantage that becomes more favorable as the cost of the potential grows. The flow's generative efficiency further acts as a physical diagnostic: it varies non-monotonically along the annealing trajectory, is lowest in the dense disordered regime, and is quantitatively captured by the constrained ensemble's internal mode complexity together with target drift across the training window, identifying liquid-like ensembles, not prior-target separation, as the hard case for current flow architectures.

cond-mat.stat-mech↗
arXiv2026

Greedy recursion parameter selection for one-way spatial integration of hyperbolic equations

Solutions to hyperbolic systems comprise waves propagating at finite speeds. When wave propagation is predominantly unidirectional, one-way wave equations can be used to evolve only the right-going solution by removing support for left-going waves. The One-Way Navier-Stokes (OWNS) approach, which was originally developed for systems of first-order hyperbolic equations, constructs one-way approximations to the linearized Navier-Stokes equations using a recursive filter to remove left-going waves. The computational cost scales with the number of recursion parameters, which must be carefully chosen to ensure accuracy and stability of the resulting one-way equation. Previous work has chosen parameters based on heuristic estimates of key eigenvalues, which requires trial-and-error tuning while also yielding slow error convergence. We propose a greedy algorithm for automatic parameter selection, which we show yields faster convergence and a net decrease in computational cost for linear and nonlinear disturbance evolution in boundary-layer flows. We review the OWNS projection (OWNS-P) and recursive (OWNS-R) methods, comparing their convergence properties, and show through our numerical analysis and experiments that OWNS-P yields superior convergence and stability properties. Although we demonstrate the method for Navier-Stokes equations, we perform our analyses on systems of linear first-order hyperbolic equations and emphasize that the greedy algorithm is applicable to such systems.

math.NA↗
arXiv2026

Convergence and efficiency proof of quantum imaginary time evolution for bounded order systems

Many current and near-future applications of quantum computing utilise parametric families of quantum circuits and variational methods that can suffer from obstacles including non-convergence to the global minimum due to local minima, critical slowing down, or exponential resource scaling. Here we show that quantum imaginary time evolution can overcome these obstacles if the underlying physical system satisfies a set of conditions. This includes many relevant applications such as ground state preparation for local theories in physics or chemistry, combinatorial optimisation problems, or quantum machine learning. In particular, we analyse the quantum imaginary time evolution showing convergence guarantees to the global minimum without critical slowing down and providing a priori estimates on the required evolution time which scale linearly in system size and inverse energy gap. Furthermore, a provided complexity analysis shows that quantum imaginary time evolution can be efficiently compiled into a parametric quantum circuit, finding the optimal parameters included, for a large class of physically relevant problems.

quant-ph↗
arXiv2026

Observer-robust energy condition verification for warp drive spacetimes

Energy-condition tests for warp-drive spacetimes must account for all admissible causal directions at each point. We use the classical S-lemma to express the null, weak, and strong conditions as $4\times4$ linear matrix inequalities; the dominant condition requires two such tests. These criteria require neither Hawking-Ellis classification nor a rapidity cutoff. For the null condition in a fixed orthonormal tetrad, the optimized multiplier margin equals half the minimum normalized null-energy contraction. Interval evaluation of the metric and curvature provides pointwise certificates and global bounds on its minimum over the bubble wall. On flat unit-lapse slices, the momentum constraint relates Eulerian momentum to shift vorticity. For smooth shifts on all of Euclidean space with bounded vorticity, momentum vanishes identically precisely for a gradient plus rigid rotation. For shifts linear in speed, integrated negative Eulerian energy scales exactly quadratically when finite, with a fixed profile and integration domain on these slices. We implement the tests in Warpax, a JAX toolkit, and compare four warp-drive geometries at matched parameters across subluminal and superluminal speeds. At the reference parameters, the global bounds establish null-energy violation in all four bubble walls. The ideal irrotational Rodal profile has zero Eulerian momentum and is everywhere Type I; Type-IV regions are detected in the other sampled walls. For Rodal, the Eulerian reading misses about $73\%$ of the sampled wall weak-energy violations. These numerical type labels and sampled fractions are distinct from the interval bounds. Finite-segment null-geodesic integrals and flat-space quantum-inequality estimates supplement the pointwise analysis.

gr-qc↗
arXiv2026

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↗
arXiv2026

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↗
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↗
Compare source metadata on this page
WorkPublishedSource identifierSource
Direct Numerical Simulation of Thermoacoustically Unstable Flames Via Non-Drifting Acoustic Delay Characteristic Boundary Conditions2026-09-042609.05656arxiv
Analysis of Moment Closures Using $φ$-Divergences for Rarefied Dynamics with Binary Collisions and Their Galerkin Discretizations2026-09-032608.03640arxiv
Introducing SINFONIA: Symplectic, slimplectic and Magnusian (Neural) Flows for Orbital Numerical Integration and Acceleration2026-09-032609.03329arxiv
What Do CAE Simulation Agents Really Need Beyond a Generic Harness?2026-09-032609.03718arxiv
An Energy-Based Conservative-Dissipative Latent Neural Evolution Operator for Magnetization Dynamics2026-09-032609.04530arxiv
Constrained dynamics for searching saddle points on embedded Riemannian submanifolds of Euclidean space2026-09-022601.03931arxiv
Why Multi-Layer Message Passing Works: Completeness Theory for Graph Neural Network Interatomic Potentials2026-09-022609.00528arxiv
A meshfree solver for coupled bulk-surface problems with self-organizing surface geometry2026-09-022609.02489arxiv
HiPoly: a hierarchical polymer-native AI framework for property prediction and generative design2026-09-022609.02746arxiv
Learning Spectrally Optimised Mesh-Free Discretisations2026-09-282609.02833arxiv
Equation Recast for Canonical Operator Learning Across Parametric PDEs2026-09-022609.02982arxiv
Generative Nested Sampling of Atomistic Thermodynamic Landscapes2026-10-072609.03193arxiv
Greedy recursion parameter selection for one-way spatial integration of hyperbolic equations2026-09-012506.02320arxiv
Convergence and efficiency proof of quantum imaginary time evolution for bounded order systems2026-09-012506.03014arxiv
Observer-robust energy condition verification for warp drive spacetimes2026-09-242602.18023arxiv
Polarizable atomic multipoles for learning long-range electrostatics2026-09-012605.05746arxiv
Analysis, thermodynamics, and a numerical solver for a pressure-temperature equilibrium closure of the four-equation model2026-09-012606.27726arxiv
Coordinate-Residual Physics-Driven Neural Network for Inverse Scattering Imaging2026-09-012608.09382arxiv

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