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300 records · Page 2Linked to original sources
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

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 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↗
arXiv2025

Quantum channel discrimination against jammers

We study the problem of quantum channel discrimination between two channels with an adversary input party (a.k.a. a jammer). This setup interpolates between the best-case channel discrimination as studied by (Wang & Wilde, 2019) and the worst-case channel discrimination as studied by (Fang, Fawzi, & Fawzi, 2025), thereby generalizing both frameworks. To address this problem, we introduce the notion of minimax channel divergence and establish several of its key mathematical properties. We prove the Stein's lemma in this new setting, showing that the optimal type-II error exponent in the asymptotic regime under parallel strategies is characterized by the regularized minimax channel divergence.

quant-ph↗
arXiv2026

Three-sided mobility-energy market design as a multiperiod stochastic assignment game

As mobility service providers (MSPs) and energy providers (EPs) expand electric vehicle ecosystems, models are needed to understand their interactions within a three-sided market. Existing frameworks often overlook the temporal interdependencies between mobility and charging demands. We address this gap by proposing a bilevel problem as an assignment game overseen by a market regulator. The upper level optimizes service pricing to maximize platform profitability. The lower level models a multi-stakeholder equilibrium using a scalable, link-based Perturbed Utility Route Choice (PURC) framework. The evaluation time frame is divided into discrete intervals, capturing the temporal lag between mobility and charging demand via an empirical affine function. We solve the model by chronologically decomposing the lower level into interacting mobility service and recharge subnetworks. Numerical experiments on the expanded Nguyen-Dupuis network reveal several key insights. First, a critical charging capacity threshold exists; operating below it forces a severe reduction in the deployable fleet and creates localized transit deserts. Second, modeling endogenous operating costs reveals a concave profit trajectory, demonstrating that total profit maximizes at a specific fleet size just before market saturation. Third, optimal dynamic pricing operates within a narrow range, where peak pricing acts as a steady revenue driver and off-peak pricing serves as a highly sensitive operational buffer. These findings provide actionable strategies for coordinating fleet sizing and charging infrastructure deployment.

cs.GT↗
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

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

Post-Training VLMs for Video Mistake Detection

Human mistakes are inevitable when following instructions, yet they can lead to severe consequences. As such, there has been an increased interest in developing methods for detecting mistakes in videos, with current methods mostly focusing on closed-set protocols. While successful in controlled settings, the closed-set assumption limits their wider applicability, as any changes to the task require collecting new data and re-training models. Instead, we argue that mistake detection methods should learn the general concept of a mistake, rather than overfitting to step-specific details. To reflect this, we introduce the Mistake Detection Video Question Answering (MD-VQA) protocol and accompanying benchmark. MD-VQA tests whether methods can discern if a step was executed correctly with respect to its description, for both seen and unseen actions. To address this important challenge, we propose the first video-language-model post-training technique for mistake detection. Our method uses a tailored reward function to encourage the model to identify discrepancies between an instruction and the corresponding video. Extensive evaluations demonstrate that this approach outperforms zero-shot, supervised fine-tuning, and post-training baselines. Notably, our method generalizes especially well to unseen procedures, for instance, with an improvement of up to 11.6% over the best-performing baseline on EP-VQA, paving the way toward general mistake detection. We release our code and benchmark at https://github.com/FedeSpu/mstk.

cs.CV↗
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

Explicit Factorization of $x^{p+1}-1$ over $\mathbb{Z}_{p^e}$: A Structural Approach via Dickson Polynomials

Let $p$ be an odd prime. The factorization of the polynomial $x^{p+1}-1$ over the integer residue ring $\mathbb{Z}_{p^e}$ is pivotal for constructing cyclic codes with Hermitian symmetry, a critical resource for Linear Complementary Dual (LCD) codes and Entanglement-Assisted Quantum Error-Correcting Codes (EAQECC). Traditionally, lifting factorizations relies on the generic Hensel's Lemma, masking the underlying algebraic structure. In this paper, we establish a structural isomorphism between the lifting process and the roots of a special auxiliary polynomial $V(x)$, unveiling a deterministic link to Dickson polynomials. Based on this theory, we develop \texttt{Dickson-Engine}, a linear-time algorithm ($O(ep)$) that outperforms standard libraries by orders of magnitude. Applying this engine to $\mathbb{Z}_{169}$, we explicitly construct a family of classical LCD codes of length $n=182$ via the isometric Gray map. Our search reveals codes with parameters (e.g., $[182, 1, 168]_{13}$ and $[182, 2, 144]_{13}$) that are \textbf{near-optimal} with respect to the theoretical Griesmer Bound. Notably, we discover a ``robustness plateau'' starting from non-trivial dimensions ($k=4$), where the minimum distance remains stable ($d=120$) even as the dimension triples ($k=4 \rightarrow 12$). These codes provide exceptional resources for post-quantum cryptography and quantum error correction without entanglement consumption ($c=0$).

cs.IT↗
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

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

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↗
arXiv2023

Local minima in quantum systems

Finding ground states of quantum many-body systems is known to be hard for both classical and quantum computers. As a result, when Nature cools a quantum system in a low-temperature thermal bath, the ground state cannot always be found efficiently. Instead, Nature finds a local minimum of the energy. In this work, we study the problem of finding local minima in quantum systems under thermal perturbations. While local minima are much easier to find than ground states, we show that finding a local minimum is computationally hard for classical computers, even when the task is to output a single-qubit observable at any local minimum. In contrast, we prove that a quantum computer can always find a local minimum efficiently using a thermal gradient descent algorithm that mimics the cooling process in Nature. To establish the classical hardness of finding local minima, we consider a family of two-dimensional Hamiltonians such that any problem solvable by polynomial-time quantum algorithms can be reduced to finding ground states of these Hamiltonians. We prove that for such Hamiltonians, all local minima are global minima. Therefore, assuming quantum computation is more powerful than classical computation, finding local minima is classically hard and quantumly easy.

quant-ph↗
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

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↗