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今日/当前日期收录 477 信号源:cs.LG, q-bio, physics, cond-mat, math, stat.ML

1. 物理仿真 17 篇

2606.12808 2026-06-18 cs.LG cs.AI 新提交 85%

SymQNet: Amortized Acquisition for Low-Latency Adaptive Hamiltonian Learning

SymQNet: 低延迟自适应哈密顿量学习的摊销获取

Yash Vardhan Tomar, Dheeraj Peddireddy

发表机构 * University of California, Berkeley(加州大学伯克利分校)

专题命中 物理仿真 :自适应哈密顿量学习用于量子设备校准

AI总结 提出SymQNet,一种摊销强化学习方法,通过离线学习后验条件获取策略,在线快速前向传播,显著降低自适应哈密顿量学习的获取延迟。

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AI中文摘要

自适应哈密顿量学习对于校准和表征量子设备至关重要。在自适应控制器中,选择下一个实验本身就是一个计算。贝叶斯设计规则在每次后验更新后重新计算,这一步可能需要几秒钟。在数百次试验中,这些秒数成为自适应性的显著墙钟成本。我们引入SymQNet,一种用于低延迟自适应哈密顿量学习的摊销强化学习方法。SymQNet离线学习后验条件获取策略,然后在线使用快速策略前向传播,同时保留贝叶斯后验反馈。在横向场伊辛基准测试中,相对于有界Fisher信息搜索和有界两步贝叶斯主动学习(BALD),SymQNet显著降低了获取延迟。在五量子比特时,相对于这些在线基线,它仅获取决策延迟降低了$47.1\ imes$和$72.6\ imes$;在十二量子比特时,SymQNet的完整模拟步骤需要$1.02$秒,而有界两步BALD需要$13.27$秒。总体而言,我们表明学习获取可以使自适应哈密顿量学习对于重复的低延迟工作负载变得实用。

英文摘要

Adaptive Hamiltonian learning is central to calibrating and characterizing quantum devices. In an adaptive controller, choosing the next experiment is itself a computation. Bayesian design rules are recomputed after every posterior update, and that step can take seconds. Across hundreds of shots, those seconds become a significant wall-clock cost for adaptivity. We introduce SymQNet, an amortized reinforcement-learning approach for low-latency adaptive Hamiltonian learning. SymQNet learns a posterior-conditioned acquisition policy offline, then uses a fast policy forward pass online while retaining Bayesian posterior feedback. On transverse-field Ising benchmarks, SymQNet substantially reduces acquisition latency relative to bounded Fisher-information search and bounded two-step Bayesian active learning by disagreement (BALD). At five qubits, it reduces acquisition-only decision latency by $47.1\times$ and $72.6\times$ relative to these online baselines; at twelve qubits, full simulated steps take $1.02$ s for SymQNet versus $13.27$ s for bounded two-step BALD. Overall, we show that learned acquisition can make adaptive Hamiltonian learning practical for repeated low-latency workloads.

2606.12816 2026-06-18 quant-ph cs.ET cs.LG 新提交 85%

Graph Reinforcement Learning for Calibration-Aware Quantum Circuit Routing

图强化学习用于校准感知的量子电路路由

Yash Vardhan Tomar, Dheeraj Peddireddy

发表机构 * University of California, Berkeley(加州大学伯克利分校) National Institute of Standards and Technology(国家标准与技术研究院)

专题命中 物理仿真 :量子电路路由的图强化学习方法,属于物理仿真

AI总结 提出一种利用图强化学习进行校准感知的量子电路路由方法,通过IBM Heron r2校准数据选择SWAP操作,在MQT Bench电路上平均保真度达0.727,优于SABRE-best20的0.440。

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AI中文摘要

量子电路路由是在为噪声中等规模量子处理器编译程序时的关键步骤。通过标准开销指标看似高效的路由,在通过校准不良的耦合器时仍可能损失保真度。我们研究了一种校准感知的图强化学习路由器,该路由器使用当天的IBM Heron r2校准数据来选择硬件边缘SWAP。我们使用近端策略优化训练策略,并通过九个慕尼黑量子工具包(MQT)基准电路和三个校准快照的精确模拟保真度进行评估。在这些评估中,合并的平均精确保真度为$0.727$,而SABRE-best20为$0.440$,目标感知SABRE为$0.481$。保真度增益伴随着更高的路由双量子比特计数,并集中在5q和8q电路系列中;在固定树动作图下,所有10q系列都倾向于SABRE-best20。总体而言,我们的结果表明,校准感知的学习路由可以超越基于门计数的编译,提高保真度。

英文摘要

Quantum circuit routing is a key step in compiling programs for noisy intermediate-scale quantum processors. Routes that appear efficient by standard overhead metrics can still lose fidelity when they pass through poorly calibrated couplers. We study a calibration-aware graph reinforcement-learning router that uses same-day IBM Heron r2 calibration data to choose hardware-edge SWAPs. We train the policy with proximal policy optimization and evaluate it with exact simulated fidelity across nine Munich Quantum Toolkit (MQT) Bench circuits and three calibration snapshots. Across these evaluations, pooled mean exact fidelity is $0.727$, compared with $0.440$ for SABRE-best20 and $0.481$ for target-aware SABRE. We observed that fidelity gains came with higher routed two-qubit counts and were concentrated in 5 qubit and 8 qubit circuit families; under the fixed tree action graph, all 10 qubit families favored SABRE-best20. Overall, our results show that calibration-aware learned routing can improve fidelity beyond gate-count-driven compilation.

2606.06728 2026-06-18 math.DS 新提交 85%

Data-driven methods for computation of optimal linear response in high-dimensional dynamical systems

高维动力系统中最优线性响应的数据驱动计算方法

Gary Froyland, Dimitrios Giannakis, Nicholas Peters

专题命中 物理仿真 :数据驱动框架计算非线性系统最优线性响应

AI总结 提出基于核平滑转移算子逼近的数据驱动框架,通过优化问题计算非线性系统的最优线性响应,并应用于低维混沌系统和高维地球系统模型。

Comments 35 pages, 12 figures

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AI中文摘要

我们开发了一个数据驱动框架,用于估计非线性动力系统的最优线性响应。该方法基于系统的转移/Koopman算子的核平滑近似,这些近似由可能高维的轨迹观测构建。结合这些算子近似与[Antown等人(2018), J. Stat. Phys., 170(6), 1051-1087]发展的理论,我们为最优无穷小扰动制定了一个计算上可处理的优化问题,该扰动可实现期望的谱操纵。我们还引入了最优响应向量场的概念,用于可视化和物理解释系统在任意观测下对最优扰动的响应。我们的重点是寻找能最优增加频率或最优抑制与核平滑转移算子特征值相关的几乎周期或几乎不变集的相关性衰减的扰动。我们通过低维周期和混沌系统的应用,以及涉及综合地球系统模型中厄尔尼诺南方涛动的高维示例来说明我们的方法。在这些例子中,我们的方法发现了系统的非平凡最优扰动,这些扰动事后是自然的且与期望的动力学目标一致。

英文摘要

We develop a data-driven framework for estimating optimal linear response of nonlinear dynamical systems. Our approach is based on kernel-smoothed approximations of the transfer/Koopman operators of the system, built from possibly high-dimensional observations along trajectories. Combining these operator approximations with the theory developed in [Antown et al. (2018), J. Stat. Phys., 170(6), 1051-1087], we formulate a computationally tractable optimization problem for the optimal infinitesimal perturbation realising any desired manipulation of the spectrum. We also introduce a notion of optimal-response vector fields for visualising, and physically interpreting, the system's response to the optimal perturbation under arbitrary observations. Our focus is on finding perturbations that optimally increase the frequency or optimally suppress the decay of correlations of almost-cycles or almost-invariant sets associated with the eigenvalues of the kernel-smoothed transfer operator. We illustrate our approach with applications to low-dimensional periodic and chaotic systems, as well as a high-dimensional example involving the El Nino Southern Oscillation in a comprehensive Earth system model. In these examples our approach discovers nontrivial optimal perturbations of the system, which are post hoc natural and consistent with the desired dynamical objectives.

2606.03745 2026-06-18 hep-ph cs.LG hep-ex physics.data-an 交叉投稿 85%

Predicting the Neutrino Mass Ordering Using Neural Networks

利用神经网络预测中微子质量顺序

T. J. C. Bezerra, L. Asquith, E. Bannister, W. Shorrock

发表机构 * Department of Physics and Astronomy, University of Sussex(苏塞克斯大学物理与天文学系)

专题命中 物理仿真 :神经网络预测中微子质量顺序

AI总结 针对中微子质量顺序这一粒子物理核心问题,提出基于前馈神经网络分类器的机器学习方法,利用合成长基线数据集训练,并与标准χ²和logL方法对比,证明其性能相当,可作为独立交叉检验工具。

Comments 11 pages, 7 figures

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AI中文摘要

确定中微子质量顺序仍是粒子物理中的一个核心开放问题。虽然下一代长基线实验有望解决这一问题,但当前数据提供的灵敏度有限,因为正常顺序和倒置顺序之间的谱差异细微且与参数简并纠缠。我们研究了一种用于质量顺序确定的机器学习策略,使用前馈神经网络分类器,该分类器在合成长基线数据集上训练,这些数据集由三味振荡概率、物质效应和统计涨落生成。我们使用常见的判别指标(包括接收者操作特征曲线)将分类器与标准χ²和logL方法进行评估,以量化灵敏度并说明如何选择操作点以优先考虑纯度或效率。我们发现,在所研究的场景中,神经网络实现了与常规拟合相当的性能,为已有分析提供了灵活、独立的交叉检验。该框架可以扩展以包含系统不确定性并探索振荡参数的联合推断,也可作为在中微子物理中引入机器学习方法的教学工具。

英文摘要

Determining the neutrino mass ordering remains a central open problem in particle physics. While next-generation long-baseline experiments are expected to resolve this question, current data provide limited sensitivity because the spectral differences between normal and inverted ordering are subtle and entangled with parameter degeneracies. We investigate a machine-learning strategy for mass-ordering determination using a feed-forward neural-network classifier trained on synthetic long-baseline datasets generated with three-flavour oscillation probabilities, matter effects, and statistical fluctuations. We evaluate the classifier against standard $χ^2$ and $\log\mathcal{L}$ approaches using common discrimination metrics, including receiver-operating-characteristic curves, to quantify sensitivity and to illustrate how operating points can be selected to prioritise purity or efficiency. We find that the neural network achieves performance comparable to conventional fits for the scenarios studied, providing a flexible, independent cross-check of established analyses. The framework can be extended to incorporate systematic uncertainties and to explore joint inference of oscillation parameters, and it may also serve as a pedagogical tool for introducing machine-learning methods in neutrino physics.

2606.02361 2026-06-18 physics.ed-ph quant-ph 版本更新 85%

Spin correlations in two-particle systems: a pedagogically motivated comparison of computational approaches

双粒子系统中的自旋关联:教学动机的计算方法比较

S. Martins-Filho

专题命中 物理仿真 :教学导向的自旋关联计算,属于量子物理仿真

AI总结 本文以教学为导向,比较了三种计算双自旋1/2粒子系统中自旋关联期望值的方法,阐明了纠缠、张量积结构和旋转对称性在自旋关联中的作用。

Comments 12 pages, 3 figures, extended version of published in Rev. Bras. Ens. Fis

Journal ref Rev. Bras. Ens. Fis. 48, e20260134 (2026)

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AI中文摘要

在本文中,我们提出了一种基于教学动机的分析,针对由两个自旋-1/2粒子组成的量子系统中的自旋关联计算。我们的目的并非追求新的物理结果,而是澄清并引起对评估形如⟨ψ| S^{(1)}_{\hat{\boldsymbol{u}}} S^{(2)}_{\hat{\boldsymbol{v}}} | ψ⟩的期望值的不同策略的关注,这些期望值在纠缠和贝尔型关联的讨论中扮演重要角色。我们比较了三种互补的方法。第一种遵循乘积基下的直接代数评估,与标准教科书方法密切相关。第二种使用二分态矩阵表示,其中张量积结构用2×2复矩阵表达。这种表示使计算接近熟悉的泡利矩阵代数,并使算符在每个子系统上的独立作用更加透明。第三种探索基于对称性的论证,强调了其在单态之外应用时的有用性和局限性。我们明确展示了单态是旋转不变的,这解释了为什么对称性论证成功再现了其关联函数,而天真的扩展对三重态失败。讨论阐明了纠缠、张量积结构和旋转对称性如何在自旋关联中相互作用。

英文摘要

In this work we present a pedagogically motivated analysis of spin-correlation calculations in a quantum system composed of two spin-$1/2$ particles. Rather than aiming at new physical results, our purpose is to clarify and bring attention to different strategies for evaluating expectation values of the form $\langle ψ| S^{(1)}_{\hat{\boldsymbol{u}}} S^{(2)}_{\hat{\boldsymbol{v}}} | ψ\rangle$, which play an important role in discussions of entanglement and Bell-type correlations. We compare three complementary approaches. The first follows a direct algebraic evaluation in the product basis, closely related to standard textbook methods. The second uses a matrix representation of bipartite states, in which the tensor-product structure is expressed in terms of $2\times2$ complex matrices. This representation keeps the calculation close to the familiar Pauli-matrix algebra and makes the independent action of operators on each subsystem more transparent. The third explores a symmetry-based argument, highlighting both its usefulness and its limitations when applied beyond the singlet state. We show explicitly that the singlet state is rotationally invariant, which explains why the symmetry argument successfully reproduces its correlation function, while a naive extension fails for triplet states. The discussion illustrates how entanglement, tensor-product structure, and rotational symmetry interplay in spin correlations.

2605.27344 2026-06-18 physics.chem-ph 版本更新 85%

Real-time nuclear-electronic orbital time-dependent density functional theory with a constrained traveling proton basis

实时核-电子轨道含时密度泛函理论中的约束行进质子基组

Nicholas J. Boyer, Sharon Hammes-Schiffer

专题命中 物理仿真 :实时核电子轨道密度泛函理论,化学物理仿真

AI总结 提出约束行进质子基组方法,在实时核-电子轨道含时密度泛函理论中实现质子动力学模拟,准确计算振动频率并模拟激发态分子内质子转移。

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AI中文摘要

核量子效应和非玻恩-奥本海默效应在许多化学和生物过程中起着至关重要的作用,促使将这些效应纳入动力学模拟。在实时核-电子轨道含时密度泛函理论(RT-NEO-TDDFT)中,电子和核密度根据含时薛定谔方程在时间上进行数值传播。在该框架下,特定质子与电子在同一水平上被量子力学处理。经典核可以通过埃伦费斯特动力学在瞬时NEO振动表面上传播。行进质子基组(TPB)可用于描述移动质子的动力学,并结合每个量子质子的高斯型质子基组和电子基组。本文提出了一种约束行进质子基组(c-TPB)方法,确保在动力学过程中每个质子基函数中心与相应的质子位置期望值一致。该方法能够产生准确的核-电子量子动力学,并严格守恒能量。我们通过计算分子振动频率以及模拟邻羟基苯甲醛和[2,2'-联吡啶]-3,3'-二醇分子中的激发态分子内质子转移和双质子转移,展示了该方法的准确性和稳定性。这些应用表明,c-TPB方法提供了准确的动力学,守恒能量,并且计算效率高。

英文摘要

Nuclear quantum effects and non-Born--Oppenheimer effects play a vital role in many chemical and biological processes, motivating the incorporation of such effects into dynamical simulations. In real-time nuclear--electronic orbital time-dependent density functional theory (RT-NEO-TDDFT), the electronic and nuclear densities are propagated numerically in time according to the time-dependent Schrödinger equation. In this framework, specified protons are treated quantum mechanically on the same level as the electrons. The classical nuclei can be propagated on the instantaneous NEO vibronic surface using Ehrenfest dynamics. A traveling proton basis (TPB) can be used to describe the dynamics of moving protons in conjunction with Gaussian-type protonic and electronic basis sets for each quantum proton. Herein, we present a constrained TPB (c-TPB) approach that ensures each protonic basis function center coincides with the corresponding proton position expectation value during the dynamics. This approach produces accurate nuclear--electronic quantum dynamics and rigorously conserves energy. We demonstrate the accuracy and stability of this approach for computing molecular vibrational frequencies as well as simulating excited-state intramolecular proton transfer and double proton transfer in the o-hydroxybenzaldehyde and [2,2$'$-bipyridyl]-3,3$'$-diol molecules. These applications show that the c-TPB method provides accurate dynamics, conserves energy, and is computationally efficient.

2604.10492 2026-06-18 q-fin.MF math.CT 版本更新 85%

Aharanov-Bohm Type Arbitrage and Homological Obstructions in Financial Markets

金融市场中的Aharonov-Bohm型套利与同调障碍

Takanori Adachi, Keisuke Hara

专题命中 物理仿真 :将Aharonov-Bohm效应类比到金融市场,建立物理与金融的跨学科模型。

AI总结 本文通过单纯和范畴化方法,将Aharonov-Bohm效应类比到金融市场,提出基于循环整体效应的套利概念,并建立与可执行交易策略的联系。

Comments 19 pages

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AI中文摘要

我们引入了滤波市场系统中Aharonov-Bohm (AB) 型套利的单纯和范畴化表述。给定一个滤波模型为逆变函子 $F : \mathcal T^{op} o \mathbf{Prob}$,我们考虑相关的条件期望运输函子 $\mathcal E \circ F : \mathcal T^{op} o \mathbf{Ban}$,以及规范扭曲 $dF(i) := (\mathcal E \circ F)(i)(1)$,它衡量了在非测度保持变换下常数函数不被保持的失败程度。受 $dF$ 的乘法运输结构启发,我们在时间范畴的神经 $N_ullet(\mathcal T)$ 上递归定义了一个单纯扭曲算子。该构造描述了沿可复合态射链的递归累积运输扭曲,并自然导出了沿回路的和乐概念。我们将非平凡和乐解释为一种在单个变换层面不可见的全局不一致性,类似于物理学中的Aharonov-Bohm效应。由此产生了AB套利的概念,其中套利机会源于全局循环效应而非局部价格差异。我们进一步引入了单纯可容许性条件,确保递归累积扭曲保持可积,并展示了如何通过可执行循环动力学将非平凡和乐转化为可预测的自融资交易策略。这建立了范畴和乐结构与经济上可实现的套利之间的联系。本文发展的框架为套利理论提供了全局和同调视角,其中市场不一致性由递归累积的单纯扭曲及其在底层时间范畴中沿回路的和乐编码。

英文摘要

We introduce a simplicial and categorical formulation of Aharonov-Bohm (AB) type arbitrage in filtered market systems. Given a filtration modeled as a contravariant functor $F : \mathcal T^{op} \to \mathbf{Prob},$ we consider the associated conditional expectation transport functor $\mathcal E \circ F : \mathcal T^{op} \to \mathbf{Ban},$ and the canonical distortion $dF(i) := (\mathcal E \circ F)(i)(1),$ which measures the failure of constant functions to be preserved under non-measure-preserving transitions. Motivated by the multiplicative transport structure of $dF$, we introduce a simplicial distortion operator defined recursively on the nerve $N_\bullet(\mathcal T)$ of the time category. This construction describes recursively accumulated transported distortions along composable chains of morphisms and leads naturally to a notion of holonomy along loops. We interpret non-trivial holonomy as a global inconsistency invisible at the level of individual transitions, analogous to the Aharonov-Bohm effect in physics. This yields a notion of AB arbitrage, in which arbitrage opportunities arise from global loop effects rather than local price discrepancies. We further introduce simplicial admissibility conditions ensuring that recursively accumulated distortions remain integrable, and show how non-trivial holonomy can be translated into predictable self-financing trading strategies through executable loop dynamics. This establishes a connection between categorical holonomy structures and economically realizable arbitrage. The framework developed here suggests a global and homological perspective on arbitrage theory, in which market inconsistencies are encoded by recursively accumulated simplicial distortions and their holonomy along loops in the underlying time category.

2601.05156 2026-06-18 physics.optics gr-qc nlin.PS 85%

Generalized Thermodynamics of Solitonic Event Horizons in Dispersive Field Theories

色散场论中孤子事件视界的广义热力学

Hasan Oguz

专题命中 物理仿真 :研究孤子事件视界热力学,属于物理理论建模。

AI总结 本文通过将光场谱分解为相干孤子与不相干辐射子系统,引入孤子事件视界的操作熵,证明高阶色散下孤子可积性破缺导致的共振辐射是熵产生机制,数值模拟显示该过程满足广义第二定律。

Comments 16 pages 3 figures

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AI中文摘要

历史上,光学类比中霍金辐射的实现主要关注运动学可观测量,如由视界表面引力决定的有效温度。然而,完整的热力学描述需要严格定义熵和不可逆性,这在哈密顿光学系统中一直难以实现。在本工作中,我们通过引入孤子事件视界的操作熵来弥合这一差距,该熵源于将光场谱分解为相干孤子子系统和不相干辐射子系统。在高阶色散下,孤子可积性破缺驱动的共振辐射发射是熵产生的基本机制。广义非线性薛定谔方程(GNLSE)的数值模拟表明,在粗粒化意义上,该过程服从广义第二定律(GSL),$ΔS_{\mathrm{tot}} \ge 0$,在广泛的孤子阶数和色散强度下均稳健成立。这些结果表明,色散场论中的事件视界表现为一致的非平衡热力学系统,且相关熵可通过实验室光谱测量获得。

英文摘要

The realization of Hawking radiation in optical analogs has historically focused on kinematic observables, such as the effective temperature determined by the horizon's surface gravity. A complete thermodynamic description, however, necessitates a rigorous definition of entropy and irreversibility, which has remained elusive in Hamiltonian optical systems. In this work, we bridge this gap by introducing an operational entropy for solitonic event horizons, derived from the spectral partitioning of the optical field into coherent solitonic and incoherent radiative subsystems. The emission of resonant radiation, driven by the breaking of soliton integrability under higher-order dispersion, is the fundamental mechanism for entropy production. Numerical simulations of the generalized nonlinear Schrödinger equation (GNLSE) demonstrate that, in a coarse-grained sense, this process obeys a generalized second law (GSL), $ΔS_{\mathrm{tot}} \ge 0$, robustly across a wide range of soliton orders and dispersion strengths. These results show that event horizons in dispersive field theories behave as consistent nonequilibrium thermodynamic systems, and that the relevant entropy is accessible from laboratory spectral measurements.

2603.28707 2026-06-18 cs.CE cs.AI 版本更新 85%

A Convex Route to Thermoelasticity: Learning Internal Energy and Dissipation

热力学的凸路径:学习内能和耗散

Hagen Holthusen, Paul Steinmann, Ellen Kuhl

发表机构 * Institute of Applied Mechanics, University of Erlangen-Nuremberg, Egerlandstra{\ss}e 5, 91058 Erlangen, Germany(埃尔兰根-纽伦堡应用力学研究所,埃尔兰根大学,德国) Department of Mechanical Engineering, Stanford University, United States(机械工程系,斯坦福大学,美国)

专题命中 物理仿真 :用神经网络学习热力学本构模型,属于物理AI。

AI总结 提出基于物理的神经网络框架,通过输入凸神经网络表示内能和耗散势,自动满足热力学第二定律,实现全耦合热力学本构建模。

Comments 31 pages, 16 figures, 4 tables

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AI中文摘要

我们提出了一个基于物理的神经网络框架,用于发现全耦合热力学中的本构模型。与基于亥姆霍兹能量的经典公式不同,我们采用内能和耗散势作为主要本构函数,以变形和熵为变量。这一选择避免了强制混合凸-凹条件,并促进了热力学原理的一致纳入。在本文中,我们关注没有优先方向或内变量的材料。尽管公式以熵表示,但温度被视为独立可观测量,熵通过本构关系内部推断,从而在不需要熵数据的情况下实现热力学一致建模。网络的热力学可接受性通过构造保证。内能和耗散势由输入凸神经网络表示,确保凸性和符合第二定律。客观性、材料对称性和归一化通过基于不变量的表示和零锚定公式直接嵌入架构中。我们在合成和实验数据集上展示了所提出框架的性能,包括纯热问题以及软组织和填充橡胶的全耦合热力学响应。结果表明,学习模型准确捕捉了潜在的本构行为。所有代码、数据和训练模型均通过 https://doi.org/10.5281/zenodo.19248596 公开提供。

英文摘要

We present a physics-based neural network framework for the discovery of constitutive models in fully coupled thermomechanics. In contrast to classical formulations based on the Helmholtz energy, we adopt the internal energy and a dissipation potential as primary constitutive functions, expressed in terms of deformation and entropy. This choice avoids the need to enforce mixed convexity--concavity conditions and facilitates a consistent incorporation of thermodynamic principles. In this contribution, we focus on materials without preferred directions or internal variables. While the formulation is posed in terms of entropy, the temperature is treated as the independent observable, and the entropy is inferred internally through the constitutive relation, enabling thermodynamically consistent modeling without requiring entropy data. Thermodynamic admissibility of the networks is guaranteed by construction. The internal energy and dissipation potential are represented by input convex neural networks, ensuring convexity and compliance with the second law. Objectivity, material symmetry, and normalization are embedded directly into the architecture through invariant-based representations and zero-anchored formulations. We demonstrate the performance of the proposed framework on synthetic and experimental datasets, including purely thermal problems and fully coupled thermomechanical responses of soft tissues and filled rubbers. The results show that the learned models accurately capture the underlying constitutive behavior. All code, data, and trained models are made publicly available via https://doi.org/10.5281/zenodo.19248596.

2504.03990 2026-06-18 math.NA cs.NA physics.comp-ph 版本更新 85%

Parametric Operator Inference to Simulate the Purging Process in Semiconductor Manufacturing

参数算子推断用于模拟半导体制造中的净化过程

Seunghyon Kang, Hyeonghun Kim, Boris Kramer

专题命中 物理仿真 :参数算子推断用于半导体制造净化过程模拟。

AI总结 本文利用参数算子推断方法,通过CFD模拟数据预测PECVD腔体内的流动场,通过排除等离子体动力学和化学反应,建立低维模型,实现25种参数组合下的高精度预测,速度提升达142倍。

Comments 18 pages, 11 figures

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AI中文摘要

本文介绍了参数算子推断(OpInf)在半导体制造净化过程数值模拟中的应用。OpInf是一种非侵入式降阶建模(ROM)技术,旨在通过CFD模拟数据预测PECVD腔体内的流动场。该模型排除了等离子体动力学和化学反应,但仍能捕捉净化流动行为的关键特征。参数OpInf框架基于进气口不同氩气质量流量率和出口压力,学习了九个ROMs。通过插值这些ROMs,预测25种参数组合下的系统行为,包括16种未在训练中出现的场景。训练数据占36%,测试数据占64%,在参数域内表现出最大误差为9.32%的准确性。此外,ROM在在线计算中实现了相对于全阶模型CFD模拟的约142倍加速。这些OpInf ROMs可用于快速准确预测PECVD腔体中的净化流动,从而促进半导体制造中的有效颗粒污染控制。

英文摘要

This work presents the application of parametric Operator Inference (OpInf) -- a nonintrusive reduced-order modeling (ROM) technique that learns a low-dimensional representation of a high-fidelity model -- to the numerical model of the purging process in semiconductor manufacturing. Leveraging the data-driven nature of the OpInf framework, we aim to forecast the flow field within a plasma-enhanced chemical vapor deposition (PECVD) chamber using computational fluid dynamics (CFD) simulation data. Our model simplifies the system by excluding plasma dynamics and chemical reactions, while still capturing the key features of the purging flow behavior. The parametric OpInf framework learns nine ROMs based on varying argon mass flow rates at the inlet and different outlet pressures. It then interpolates these ROMs to predict the system's behavior for 25 parameter combinations, including 16 scenarios that are not seen in training. The parametric OpInf ROMs, trained on 36\% of the data and tested on 64\%, demonstrate accuracy across the entire parameter domain, with a maximum error of 9.32\%. Furthermore, the ROM achieves an approximate 142-fold speedup in online computations compared to the full-order model CFD simulation. These OpInf ROMs may be used for fast and accurate predictions of the purging flow in the PECVD chamber, which could facilitate effective particle contamination control in semiconductor manufacturing.

2602.18575 2026-06-18 math.PR math.CV math.NT 版本更新 85%

Power Partitions and Hayman Functions

幂次分拆与Hayman函数

José L. Fernández, Víctor J. Maciá

专题命中 物理仿真 :证明分拆生成函数为Hayman函数,属数论概率方法

AI总结 在Khinchin族的概率框架下,证明分拆成k次幂的生成函数是强高斯的(Hayman函数),从而直接由Hayman渐近公式得到Hardy-Ramanujan渐近公式。

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AI中文摘要

我们在Khinchin族的概率框架内证明,分拆成$k$次幂的生成函数$P_k$在Báez-Duarte意义下是强高斯的,甚至更进一步,它是一个Hayman函数。因此,关于$n$分拆成$k$次幂的个数$p_k(n)$的Hardy--Ramanujan渐近公式\[ p_k(n) \sim \frac{\alpha_k}{n^{(3k+1)/(2k+2)}} \exp\!\Big(\beta_k\, n^{1/(k+1)}\Big), \qquad n\to\infty, \]其中$\alpha_k$和$\beta_k$是仅依赖于$k$的显式常数,直接由Hayman关于强高斯幂级数的渐近公式得出。$P_k$的强高斯性的证明结合了Khinchin族的高斯性准则与Tenenbaum、Wu和Li关于生成函数的某些界;通过计算相关族的均值和方差的渐近近似,恢复了渐近公式。对于分拆成不同$k$次幂的生成函数$Q_k,给出了类似的结果。

英文摘要

We prove, within the probabilistic framework of Khinchin families, that the generating function $P_k$ of partitions into $k$-th powers is strongly Gaussian in the sense of Báez-Duarte, and even further that it is a Hayman function. Thus the Hardy--Ramanujan asymptotic formula for the number $p_k(n)$ of partitions of $n$ into $k$-th powers which reads \[ p_k(n) \sim \frac{α_k}{n^{(3k+1)/(2k+2)}} \exp\!\Big(β_k\, n^{1/(k+1)}\Big), \qquad n\to\infty, \] where $α_k$ and~$β_k$ are explicit constants depending only on $k$, follows directly from Hayman's asymptotic formula for strongly Gaussian power series. The proof of strong Gaussianity of $P_k$ combines a Gaussianity criterion for Khinchin families with certain bounds of Tenenbaum, Wu and Li on the generating function; the asymptotic formula is recovered by computing asymptotic approximations of the mean and variance of the associated family. Analogous results are presented for the generating function $Q_k$ of partitions into distinct $k$-th powers.

2602.16670 2026-06-18 cond-mat.mes-hall cond-mat.other 版本更新 85%

Exceptional horns in $n$-root graphene and Lieb photonic ring lattices

$n$次根石墨烯和Lieb光子环晶格中的奇异喇叭

A. M. Marques, D. Viedma, V. Ahufinger, R. G. Dias

专题命中 物理仿真 :非厄米晶格中的奇异喇叭,属于物理仿真

AI总结 本文系统构建了非厄米紧束缚晶格,其Bloch谱为厄米母晶格(石墨烯和Lieb晶格)的$n$次根,发现了能量随动量$E\sim|\mathbf{q}|^{1/n}$标度的奇异喇叭,并推导了朗道能级标度$E\sim\phi^{1/(2n)}$。

Comments 19 pages, 16 figures

Journal ref Phys. Rev. B 113, 245136 (2026)

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AI中文摘要

我们系统构建了非厄米紧束缚晶格,其Bloch谱是厄米母二维晶格(即石墨烯和Lieb晶格)的$n$次根。这些模型的$n$次根是通过连接单向耦合的环模块构建的,其几何排列与相应母系统匹配。它们的能谱由复能量平面中$n$个旋转且等价的支组成,每个支在$n$次幂后与母模型的实谱匹配,同时还有由广义指标定理解释的额外零能平带。我们展示了母模型的低能狄拉克锥如何(对于$n$次根晶格耦合的适当相位配置选择)转化为每个支上出现的所谓“奇异喇叭”,中心狄拉克点在高对称动量处转变为$n$阶或更高阶的零能例外点。这些奇异喇叭反映了低能激发的行为,其能量随动量标度为$E\sim|\mathbf{q}|^{1/n}$($n\geq 3$),与狄拉克锥的线性无质量模式形成对比。此外,我们推导了相关朗道能级的解析表达式,其能量随磁通标度为$E\sim\phi^{1/(2n)}$。对于$n$次根Lieb晶格,第零朗道能级被证明是例外的。这些结果对两个$n$次根模型进行了解析推导,并对某些$n$值进行了数值验证。最后,我们提出了一种基于耦合环谐振器的实际光子实现方案,采用增益和损耗的分裂配置。

英文摘要

We present a systematic construction of non-Hermitian tight-binding lattices whose Bloch spectra are $n$th roots of those of Hermitian parent two-dimensional (2D) lattices, namely graphene and the Lieb lattice. The $n$-roots of these models are constructed from connecting loop modules of unidirectional couplings whose geometrical arrangements match that of the corresponding parent system. Their energy spectrum is shown to consist of $n$ rotated and equivalent branches in the complex energy plane, each matching the real spectrum of the parent model when raised to the $n$th power, together with extra zero-energy flat bands (FBs) accounted for by the generalized index theorem. We show how the low-energy Dirac cones of the parent models translate, for an appropriate choice of phase configuration for the couplings of the $n$-root lattices, as what we call an "exceptional horn" appearing at each branch, with the central Dirac point (DP) converted into zero-energy exceptional points (EPs) of order $n$ or higher at high-symmetry momenta. These exceptional horns reflect the behavior of low-lying excitations that scale with momentum as $E\sim\vert \mathbf{q}\vert^{\frac{1}{n}}$, with $n\geq 3$, as opposed to the linear massless modes that characterize a Dirac cone. Moreover, we derive analytic expressions for the associated Landau levels (LLs), whose energies scale with magnetic flux as $E\simϕ^{\frac{1}{2n}}$. For the case of the $n$-root Lieb lattice, the zeroth LL is shown to be exceptional. These results are analytically derived for both $n$-root models and numerically demonstrated for certain values of $n$. Finally, we propose a realistic photonic implementation based on coupled ring resonators with a split configuration of optical gain and loss.

2507.09413 2026-06-18 math-ph cond-mat.stat-mech math.MP 版本更新 85%

Model Reduction of Multivariate Geometric Brownian Motions and Localization in a Two-State Quantum System

多元几何布朗运动的模型约化与两态量子系统中的局域化

C. Chen, M. Colangeli, M. H. Duong, M. Serva

专题命中 物理仿真 :多元几何布朗运动模型约化

AI总结 提出多元几何布朗运动的系统模型约化框架,结合不变流形与绝热消除推导确定性漂移的闭式约化方程,并利用涨落-耗散定理刻画随机部分,应用于两态量子系统准确捕捉局域化特性。

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AI中文摘要

我们为多元几何布朗运动(GBMs)建立了系统的模型约化框架,这是一类基础随机过程,在数学金融、种群生物学和统计物理中有广泛应用。我们的方法利用不变流形方法与绝热消除之间的相互作用,推导出确定性漂移的闭式约化方程。随后采用涨落-耗散定理的扩展形式来刻画约化描述的随机部分。作为一个具体应用,我们将约化方案应用于来自两态量子系统的GBM,表明约化动力学在显著简化分析的同时,准确捕捉了原始模型的局域化性质。

英文摘要

We develop a systematic framework for the model reduction of multivariate geometric Brownian motions (GBMs), a fundamental class of stochastic processes with broad applications in mathematical finance, population biology, and statistical physics. Our approach leverages the interplay between the method of invariant manifolds and adiabatic elimination to derive closed-form reduced equations for the deterministic drift. An extended formulation of the fluctuation-dissipation theorem is subsequently employed to characterize the stochastic component of the reduced description. As a concrete application, we apply our reduction scheme to a GBM arising from a two-state quantum system, showing that the reduced dynamics accurately capture the localization properties of the original model while significantly simplifying the analysis.

2601.09223 2026-06-18 eess.SY cs.SY math.OC 版本更新 85%

Boundary adaptive observer design for semilinear hyperbolic rolling contact ODE-PDE systems with uncertain friction

具有不确定摩擦的半线性双曲滚动接触ODE-PDE系统的边界自适应观测器设计

Luigi Romano, Ole Morten Aamo, Miroslav Krstić, Jan Åslund, Erik Frisk

专题命中 物理仿真 :半线性双曲系统自适应观测器

AI总结 针对半线性双曲滚动接触ODE-PDE系统,设计一种自适应观测器,利用边界测量同时估计集总状态、分布状态及不确定摩擦参数,在持续激励下实现指数收敛。

Comments 12 pages, 5 figures. Under review at Automatica, 3rd review round

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AI中文摘要

本文针对具有不确定摩擦特性的半线性双曲滚动接触ODE-PDE系统,提出了一种自适应观测器设计。摩擦特性由出现在非线性(可能非光滑)PDE源项中的未知系数矩阵参数化。在正向完备性和边界感知的适当假设下,综合了一种自适应观测器,仅使用边界测量即可同时估计集总状态和分布状态,以及不确定的摩擦参数。该观测器将有限维参数估计器与状态误差动态的无限维描述相结合,并在持续激励下实现指数收敛。通过考虑一个来自道路车辆动力学的相关示例,仿真验证了所提出设计的有效性。

英文摘要

This paper presents an adaptive observer design for semilinear hyperbolic rolling contact ODE-PDE systems with uncertain friction characteristics parameterized by a matrix of unknown coefficients appearing in the nonlinear (and possibly non-smooth) PDE source terms. Under appropriate assumptions of forward completeness and boundary sensing, an adaptive observer is synthesized to simultaneously estimate the lumped and distributed states, as well as the uncertain friction parameters, using only boundary measurements. The observer combines a finite-dimensional parameter estimator with an infinite-dimensional description of the state error dynamics, and achieves exponential convergence under persistent excitation. The effectiveness of the proposed design is demonstrated in simulation by considering a relevant example borrowed from road vehicle dynamics.

2311.11938 2026-06-18 physics.flu-dyn 版本更新 85%

Component-wise dimensionally reduced flows and helicity conservation

分量维数约化流与螺旋度守恒

Jian-Zhou Zhu

专题命中 物理仿真 :分量维数约化流与螺旋度守恒

AI总结 通过模式截断重新表述分量维数约化实Schur流,证明螺旋度守恒无需局部质量守恒条件,并推广到无粘Burgers方程。

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AI中文摘要

与经典可压缩欧拉方程相关的分量维数约化实Schur流(RSF)[J.-Z. Zhu, J. Math. Phys. \ extbf{62}, 083101 (2021)] 被重新表述为模式截断的形式,其中未截断的傅里叶模式保留了原始相互作用结构以及其他重要导数。针对分量维数约化流(CWDRF,包括那些对RSF进行进一步维数约化的流)的数学物理,建立了一系列结果;特别地,证明了先前在正压理想流中螺旋度不变性的证明在局部质量守恒条件不必要的情况下是过度的,而我们新的“更尖锐”的证明不涉及该条件,可推广到我们的CWDRF和无粘Burgers方程,后者在无限域中的情况已通过近期结果[S. G. Chefranov & A. S. Chefranov, Phys. Scr. \ extbf{94}, 054001 (2019)]得到验证。

英文摘要

The component-wise dimensionally reduced real Schur flows (RSFs) associated to the classical compressible Euler equation [J.-Z. Zhu, J. Math. Phys. \textbf{62}, 083101 (2021)] is reformulated alternatively in terms of mode-truncation, with the untruncated Fourier modes preserving the original interaction structure and thus other important derivatives. A number of results are set up for the mathematical physics of component-wise dimensionally reduced flows (CWDRFs, including those with further dimensional reductions of RSFs); and, it is particularly shown that previous proofs of the helicity invariance in barotropic ideal flows were overkilling in the sense of using the unnecessary condition of local mass conservation, while our new ``sharper'' proof without invoking the latter carries over to our CWDRFs and the inviscid Burgers equation, verified using recent results [S.~G.~Chefranov \& A.~S.~Chefranov, Phys. Scr. \textbf{94}, 054001 (2019)] for the latter case in the infinite domain.

2602.03322 2026-06-18 math.NA cs.NA 版本更新 85%

Weighted finite difference methods for a nonlinear Klein-Gordon equation with high oscillations in space and time

非线性Klein-Gordon方程在时空高振荡情况下的加权有限差分方法

Yanyan Shi, Christian Lubich

专题命中 物理仿真 :提出求解非线性Klein-Gordon方程的加权有限差分方法,属于物理仿真。

AI总结 针对非相对论极限下具有高度振荡初值的非线性Klein-Gordon方程,提出显式和隐式加权有限差分方法,在时空步长不受ε限制下实现二阶精度,并证明方法在ε从任意小到中等有界范围内一致收敛。

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AI中文摘要

我们考虑非相对论极限区域中的非线性Klein-Gordon方程,其初始数据为调制的高度振荡指数形式。在小尺度参数$\varepsilon\ll 1$的区域中,解在时间和空间上都表现出快速振荡。该解被近似为两个极化解的叠加,误差为$\mathcal{O}(\varepsilon)$,这些极化解是以群速度$\varepsilon^{-1}$量级反向移动的波包。极化解方程在随动坐标系中建立,然后通过显式和隐式指数加权有限差分方法进行离散。显式加权蛙跳方法需要满足CFL型稳定性条件,而隐式加权Crank-Nicolson方法无条件稳定。两种方法均达到二阶精度,且时间步长和网格尺寸不受$\varepsilon$的限制。对于极化解的近似,这些方法在$\varepsilon$从任意小到中等有界范围内一致收敛。数值实验验证了理论结果。

英文摘要

We consider a nonlinear Klein-Gordon equation in the nonrelativistic limit regime with initial data in the form of a modulated highly oscillatory exponential. In this regime of a small scaling parameter $\varepsilon\ll 1$, the solution exhibits rapid oscillations in both time and space. The solution is approximated, up to $\mathcal{O}(\varepsilon)$, by a superposition of two polarized solutions, which are wave packets that move with opposite group velocities proportional to $\varepsilon^{-1}$. The equations for polarized solutions are formulated in co-moving coordinates and are then discretized by an explicit and an implicit exponentially weighted finite difference method. While the explicit weighted leapfrog method needs to satisfy a CFL-type stability condition, the implicit weighted Crank-Nicolson method is unconditionally stable. Both methods achieve second-order accuracy with time steps and mesh sizes that are not restricted in magnitude by $\varepsilon$. For the approximation of polarized solutions, the methods are uniformly convergent in the range from arbitrarily small to moderately bounded $\varepsilon$. Numerical experiments illustrate the theoretical results.

2512.14218 2026-06-18 math.RA 版本更新 85%

An Efficient Algorithm for Path Recovery from Signature Tensors

从签名张量恢复路径的高效算法

Leonard Schmitz

专题命中 物理仿真 :提出从签名张量恢复路径的算法,属于数学物理方法

AI总结 提出一种从三阶签名张量精确恢复路径的算法,利用广义规范型和矩阵-张量同余下的群作用稳定子,结合随机变换避免求解非线性多项式系统,计算效率提升一个数量级。

Comments The title has been updated and the manuscript reorganized to enhance readability

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AI中文摘要

我们提出了一种从三阶签名张量恢复路径的新算法,这是粗糙分析中的一个逆问题。我们的算法提供了该恢复问题的精确解,并且比当前方法提升了一个数量级的效率。它依赖于广义规范型和通过矩阵-张量同余的群作用稳定子。我们应用随机变换技术,避免了与退化路径相关的非线性多项式系统的求解,并在计算机代数系统OSCAR中实现了我们的方法。

英文摘要

We present a new algorithm for recovering paths from their third-order signature tensors, an inverse problem in rough analysis. Our algorithm provides the exact solution to this recovery problem and improves upon current approaches by an order of magnitude. It relies on generalized normal forms and stabilizers of group actions via matrix-tensor congruence. We apply randomized transformation techniques that avoid the task of solving nonlinear polynomial systems associated to degenerate paths, and accompany our methods with an efficient implementation in the computer algebra system OSCAR.

2. 材料化学 7 篇

2509.23498 2026-06-18 physics.chem-ph 85%

WTMAD-4: A Fair Weighting Scheme for GMTKN55

WTMAD-4:一种用于GMTKN55的公平加权方案

Kyle R. Bryenton, Erin R. Johnson

专题命中 材料化学 :GMTKN55加权方案,评估DFA性能。

AI总结 本文提出了一种新的WTMAD-4指标,以解决GMTKN55数据集中现有加权均绝对偏差(WTMAD)定义的缺陷,确保所有基准测试得到公平对待,并重新评估了115种DFAs的性能。

Comments 6 pages, 2 figures, 2 tables

Journal ref Phys. Chem. Chem. Phys. 28, 1463-1469 (2026)

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AI中文摘要

GMTKN55数据集是一组用于分子量子化学的标准化基准,涵盖了小分子和大分子热化学、反应势垒和非共价相互作用。本文识别了在量化各种电子结构方法性能时常用的加权均绝对偏差(WTMAD)定义中的缺陷,该缺陷导致数据集中的某些组件基准被低估了多个数量级。提出了一种新的WTMAD-4度量标准,基于一组十种最小经验色散校正密度泛函近似(DFAs)的典型误差,确保所有基准得到公平对待。然后使用WTMAD-4重新评估了115种DFAs的性能,并突出了一个文献例子,其中一种通过最小化WTMAD-2来参数化的DFAs在该度量标准下表现不佳。

英文摘要

The GMTKN55 data set is a collection of standard benchmarks used in molecular quantum chemistry that spans small- and large-molecule thermochemistry, reaction barriers, and non-covalent interactions. Herein, we identify a flaw in the weighted mean absolute deviation (WTMAD) definitions commonly used to quantify performance of various electronic-structure methods for the GMTKN55 set, which under-weight some of its component benchmarks by orders of magnitude. A new WTMAD-4 metric is proposed, based on typical errors observed for a set of ten minimally empirical dispersion-corrected density-functional approximations (DFAs), ensuring fair treatment across all benchmarks. The performance of 115 DFAs is then reassessed using WTMAD-4 and we highlight a literature example where a DFA parametrised by minimising WTMAD-2 underperforms for benchmarks marginalised by that metric.

2601.21091 2026-06-18 cond-mat.mtrl-sci 版本更新 85%

Extraction of a structural short-range order descriptor from nanobeam electron diffraction patterns using a transfer learning approach

通过迁移学习方法从纳米束电子衍射图样中提取结构短程序描述符

Junjie Wu, Timothy J. Rupert

专题命中 材料化学 :用迁移学习分析非晶固体衍射数据,属于材料科学。

AI总结 本文通过迁移学习方法,利用机器学习对非晶固体的纳米束电子衍射数据进行定量分析,提出了一种优于传统Voronoi指数的无序参数作为结构短程序描述符,展示了模型在不同相互作用体积下的优异性能和迁移能力。

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AI中文摘要

非晶固体尽管缺乏长程晶体秩序,但仍表现出结构短程序,这种结构描述符对于确定机械性能至关重要。纳米束电子衍射提供了一种实验表征结构短程序的潜在途径,但迄今为止的努力主要定性。本文采用基于迁移学习的机器学习方法,用于实现对非晶固体纳米束电子衍射数据的定量分析。一个ResNet-18模型在不同位置的模拟金属玻璃和非晶晶界复杂结构(Cu-Zr合金系统)中创建的混合分子动力学和蒙特卡罗模拟的衍射图样上进行训练。无序参数被发现比传统Voronoi指数更适合作为该任务的结构描述符。模型在不同衍射图样对应的相互作用体积上实现了低验证均方误差,证明了其出色的性能和潜在的迁移能力。测试使用了其他模拟的纳米束电子衍射数据以及实验纳米束电子衍射图样,显示该模型能够可靠地捕捉局部结构状态的空间变化。整体而言,该框架能够克服定量实验表征结构短程序的挑战,实现对非晶固体的改进表征,并探索结构-性能关系。

英文摘要

Amorphous solids exhibit structural short-range order despite lacking long-range crystalline order, with this structural descriptor found to be important for determining mechanical properties. Nanobeam electron diffraction offers a potential route for experimental characterization of structural short-range order, yet efforts to date have been primarily qualitative in nature. In this work, machine learning approaches based on transfer learning are used to enable quantitative analysis of nanobeam electron diffraction data from amorphous solids. A ResNet-18 model is trained on simulated diffraction patterns taken from different locations within simulated metallic glasses and amorphous grain boundary complexions in the Cu-Zr alloy system that were created with hybrid molecular dynamics and Monte Carlo simulations. The disorder parameter is found to be a superior target structural descriptor compared to traditional Voronoi indices for this task. The model achieves a low validation mean absolute error across diffraction patterns corresponding to different interaction volumes, demonstrating excellent performance and potential transferability. Testing was performed using other simulated nanobeam electron diffraction data as well as experimental nanobeam electron diffraction patterns, showing that the model can reliably capture spatial variations in local structural state. As a whole, this framework is able to overcome the challenges in the quantitative experimental characterization of structural short-range order, enabling improved characterization of amorphous solids and the exploration of structure-property relationships.

2603.22848 2026-06-18 cond-mat.mtrl-sci physics.comp-ph 版本更新 85%

Ultrafast optical route to coupled ferroelectric and altermagnetic switching

耦合铁电和交变磁开关的超快光学路径

Yuhao Gu, Yu-Hui Song, Peng-Jie Guo, Yihao Wang, Zhe Li, Ze-Feng Gao, Huan-Cheng Yang, Zhong-Yi Lu

专题命中 材料化学 :超快激光开关铁电与交变磁,属材料物理

AI总结 提出利用超快激光在电荷序诱导的交变磁铁电体LiV₂F₆中同时实现铁电极化和交变磁开关,通过对称性分析和TDDFT计算验证。

Comments 6 pages, 4 figures

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AI中文摘要

探索新型磁电耦合机制以实现对铁电极化和磁性的控制,对基础科学和电子器件应用具有重要意义。尽管在多铁材料中电控磁性已有广泛研究,但利用超快激光同时切换铁电极化和交变磁性仍未被探索。在本文中,我们提出超快激光可用于在电荷序诱导的交变磁铁电体中同时切换铁电极化和交变磁性。基于这一想法,我们进一步通过对称性分析和含时密度泛函理论(TDDFT)计算证明,这种双重切换可以在电荷序诱导的交变磁铁电体LiV$_2$F$_6$中实现。鉴于LiV$_2$F$_6$已被实验合成,我们的工作不仅为实验实现铁电极化和交变磁性的同时切换提供了理想的材料平台,而且在未来的超快自旋电子器件中具有潜在的应用价值。

英文摘要

Exploring novel magnetoelectric coupling mechanisms to achieve control of ferroelectric polarization and magnetism is highly significant for both fundamental science and electronic device applications. Although extensive studies have been conducted on electrical switching of magnetism in multiferroic materials, simultaneous ultrafast laser switching of ferroelectric polarization and altermagnetism remains unexplored. In this letter, we propose that the ultrafast laser can be used to switch ferroelectric polarization and altermagnetism concurrently in charge-order-induced altermagnetic ferroelectrics. Building on this idea, we further demonstrate that such dual switching can be realized in charge-order-induced altermagnetic ferroelectric LiV$_2$F$_6$ by symmetry analysis and time-dependent density functional theory (TDDFT) calculation. Given that LiV$_2$F$_6$ has already been experimentally synthesized, our work not only provides an ideal material platform for experimentally realizing simultaneous switching of ferroelectric polarization and altermagnetism but also holds potential application value in future ultrafast spintronic devices.

2603.07303 2026-06-18 cond-mat.mtrl-sci physics.app-ph quant-ph 85%

Impact of Layer Structure and Strain on Morphology and Electronic Properties of InAs Quantum Wells on InP (001)

InAs量子阱在InP(001)上的层结构和应变影响及其形态和电子性质

Zijin Lei, Yuze Wu, Christian Reichl, Stefan Fält, Werner Wegscheider

专题命中 材料化学 :研究InAs量子阱的层结构和应变对电子性质的影响,属于材料科学

AI总结 研究InAs/InGaAs量子阱在InP(001)上的层结构和应变对电子性质和表面形态的影响,结合量子输运测量和原子力显微镜揭示层设计对载流子各向异性的影响及量子阱坍塌机制。

Comments 7 pages, 6 figures

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AI中文摘要

高质量的InAs量子阱在InP上生长是一种有前途的拓扑量子信息处理平台,因其大的g因子、强Rashba自旋轨道相互作用以及与原位沉积超导体的兼容性。本文研究了在InP(001)晶圆上生长的InAs/InGaAs量子阱,重点探讨层结构和应变对电子性质和表面形态的影响。通过结合量子输运测量与原子力显微镜,我们发现层设计主要影响载流子各向异性,这与表面形态一致。表面表征进一步揭示了当层厚超过应变极限时量子阱坍塌的机制。此外,输运测量表明量子限制对带非抛物性有明显影响。

英文摘要

High-quality InAs quantum wells grown on InP are a promising platform for topological quantum information processing due to their large g-factor, strong Rashba spin-orbit interaction, and their compatibility with in-situ-deposited superconductors. In this work, we investigate InAs/InGaAs quantum wells grown on InP (001) wafers, focusing on how the layer structure and strain influence the electronic properties and surface morphology. By combining quantum transport measurements with atomic force microscopy, we show that the layer design predominantly affects the mobility anisotropy, which aligns well with the surface morphology. Surface characterization further reveals the mechanism of quantum well collapse when the layer thickness exceeds the strain limit. In addition, transport measurements demonstrate that quantum confinement has a clear impact on band nonparabolicity.

2602.13768 2026-06-18 cond-mat.mtrl-sci cond-mat.str-el 85%

Relativistic spin-momentum locking in ferromagnets

铁磁材料中的相对论自旋-动量锁定

Xujia Gong, Amar Fakhredine, Carmine Autieri

专题命中 材料化学 :铁磁材料中自旋-动量锁定,属于材料化学

AI总结 研究铁磁材料中相对论自旋-动量锁定现象,通过密度泛函理论计算揭示其在不同材料中的表现,展示其在k空间中的显著贡献及应用前景。

Comments 10 pages, 5 figures in the main text

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AI中文摘要

相对论自旋-动量锁定在铁磁材料中已被证明存在于无净磁化且时间反演破缺的材料中,如交替磁体和其他非列线性磁体。通过密度泛函理论计算,我们旨在展示铁磁材料中的相对论自旋-动量锁定,重点研究一类具有旋转对称性的铁磁材料,且磁性位点相互连接,并与fcc Ni进行比较。在SrRuO3中,反称交换相互作用产生一个与易轴垂直的自旋倾斜,而在其他情况下,自旋倾斜被禁止。即使在实空间中自旋倾斜被禁止,相对论自旋-动量锁定在k空间中仍表现出显著贡献。使用原型铁磁材料如单斜SrRuO3、六方CrTe和CrAs(NiAs晶体结构)、半Heusler MnPtSb以及fcc Ni,我们证明相对论自旋-动量锁定可以在铁磁材料中产生强效应。中心对称铁磁材料的次主导成分,其磁性位点由旋转对称性连接,表现出类似于交替磁体的自旋-动量锁定,而非中心对称的MnPtSb则由于自旋轨道耦合产生相对论p波。fcc Ni表现出更复杂的特性,其包含两种自旋-动量锁定模式,这两种模式特征性地出现在交替磁体中。由于铁磁材料通常具有比交替磁体更大的带宽,因此它们为观察偶极相对论自旋-动量锁定及相关新兴现象提供了有前景的平台。从应用角度来看,相对论自旋-动量锁定控制着对称允许的自旋霍尔电流、自旋光电流以及其他在k空间中依赖动量的自旋响应。

英文摘要

The relativistic spin-momentum locking has been proven in time-reversal-breaking classes of materials with zero net magnetization in the non-relativistic limit, such as altermagnets and other non-collinear magnets. Using density functional theory calculations, we aim to show relativistic spin-momentum locking in ferromagnets, focusing on a broad class of ferromagnetic materials with magnetic sites connected by rotational symmetry, and compare with fcc Ni. In SrRuO3, the antisymmetric exchange interaction produces a spin canting orthogonal to the easy axis, while in all other cases, spin canting is forbidden. Even when the canted magnetic moment in real space is forbidden, relativistic spin-momentum locking shows sizable contributions in k-space. Using prototypical ferromagnets such as orthorhombic SrRuO3, hexagonal CrTe and CrAs with the NiAs crystal structure, half-Heusler MnPtSb, and fcc Ni, we demonstrate that relativistic spin-momentum locking can generate strong effects in ferromagnets. Subdominant components of centrosymmetric ferro-magnetic materials with magnetic sites connected by rotational symmetry host spin-momentum locking similar to altermagnets, while noncentrosymmetric MnPtSb hosts relativistic p-wave due to the spin-orbit coupling. Fcc Ni shows a more complex behavior with a combination of two spin-momentum locking patterns characteristic of altermagnets. Because ferromagnets typically have larger bandwidths than altermagnets, they provide a promising platform for observing even-wave relativistic spin-momentum locking and associated emergent phenomena. From an application standpoint, relativistic spin-momentum locking governs symmetry-allowed spin Hall currents, spin photocurrents, and other momentum-dependent spin responses in k-space.

2601.02985 2026-06-18 physics.chem-ph 版本更新 85%

Charged excitations made neutral: N-centered ensemble density functional theory of Fukui functions

带电激发变为中性:Fukui函数的N中心系综密度泛函理论

Lucien Dupuy, Emmanuel Fromager

专题命中 材料化学 :Fukui函数系综密度泛函理论

AI总结 提出N中心系综密度泛函理论框架,推导出计算电子亲和能与电离Fukui函数的精确工作方程,通过权重导数恢复核导数不连续性,为设计有效近似提供新途径。

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AI中文摘要

在密度泛函理论(DFT)的$N$中心(Nc)系综扩展中,推导出计算电子亲和能和电离Fukui函数的原理上精确的工作方程。它规避了DFT中分数电子数的核导数不连续性问题,该问题的贡献通过系综密度泛函势的权重导数恢复。因此,它允许设计替代且有效的近似,例如正则泛函的权重依赖缩放或Nc系综已知极限之间的插值。

英文摘要

An in-principle exact working equation to compute electronic affinity and ionization Fukui functions is derived within the $N$-centered (Nc) ensemble extension of density functional theory (DFT). It circumvents the kernel derivative discontinuity problem of DFT for fractional electron numbers, whose contribution is recovered through weight derivatives of the ensemble density functional potential. Thus, it allows for the design of alternative and effective approximations, such as the weight-dependent scaling of regular functionals or the interpolation between known limits of Nc ensembles

2601.05161 2026-06-18 quant-ph cond-mat.mtrl-sci physics.comp-ph 版本更新 85%

Quantum Elastic Network Models and their Application to Graphene

量子弹性网络模型及其在石墨烯中的应用

Ioannis Kolotouros, Adithya Sireesh, Stuart Ferguson, Sean Thrasher, Petros Wallden, Julien Michel

专题命中 材料化学 :量子弹性网络模型模拟石墨烯等二维材料

AI总结 提出量子弹性网络模型(QENMs),利用指数加速的量子算法高效模拟二维材料,以石墨烯为例展示其在热传递和面外波纹效应中的应用,仅需约160个逻辑量子比特即可模拟厘米尺度石墨烯。

Comments 51 pages, 14 figures; Extended the model to D > 1 coupled dimensions and to planar materials which have been doped or contain defects

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AI中文摘要

分子动力学模拟是材料设计中用于关联原子组成与力学性能的核心计算方法。然而,即使在最简单的弹性网络模型(ENMs)中,将分子振动表示为耦合振子网络,在经典硬件上以原子级分辨率模拟宏观尺度的材料也是不可行的。为了解决这个问题,我们引入了量子弹性网络模型(QENMs),并利用Babbush等人(PRX, 2023)的量子算法,该算法在模拟耦合振子系统时具有指数级优势。我们将其算法扩展到二维系统,并展示了我们的方法如何实现平面材料的高效模拟。作为示例,我们将算法应用于模拟二维石墨烯片。我们分析了该材料在初始态制备、哈密顿量模拟和测量方面的复杂度,并提供了两个实际应用:热传递和面外波纹效应。我们估计,模拟厘米尺度的石墨烯片,经典计算需要数百PB的内存和难以承受的运行时间,而使用我们的方法仅需约160个逻辑量子比特即可编码和模拟。

英文摘要

Molecular dynamics simulations are a central computational methodology in materials design for relating atomic composition to mechanical properties. However, simulating materials with atomic-level resolution on a macroscopic scale is infeasible on current classical hardware, even when using the simplest elastic network models (ENMs) that represent molecular vibrations as a network of coupled oscillators. To address this issue, we introduce Quantum Elastic Network Models (QENMs) and utilize the quantum algorithm of Babbush et al. (PRX, 2023), which offers an exponential advantage when simulating systems of coupled oscillators. Here, we extend their algorithm in 2D systems and demonstrate how our method enables the efficient simulation of planar materials. As an example, we apply our algorithm to the task of simulating a 2D graphene sheet. We analyze the complexity for initial-state preparation, Hamiltonian simulation, and measurement of this material, and provide two real-world applications: heat transfer and the out-of-plane rippling effect. We estimate that an atomistic simulation of a graphene sheet on the centimeter scale, classically requiring hundreds of petabytes of memory and prohibitive runtimes, could be encoded and simulated with as few as $\sim 160$ logical qubits.

3. 其他科学智能 5 篇

2605.21115 2026-06-18 cs.DC cs.LG 版本更新 85%

Automated Byzantine-Resilient Clustered Decentralized Federated Learning for Battery Intelligence in Connected EVs

自动化抗拜占庭攻击的集群化去中心化联邦学习用于连接电动车的电池智能

Mouhamed Amine Bouchiha, Abdelaziz Amara Korba, Yacine Ghamri-Doudane

发表机构 * SAMOVAR, Télécom SudParis(SAMOVAR,法国电信南巴黎学院) Department of Computer Science, German University of Technology in Oman (GUtech)(阿曼技术大学计算机科学系) L3i, La Rochelle University(拉罗什大学L3i)

专题命中 其他科学智能 :提出联邦学习框架用于电动车电池智能,属于科学智能应用。

AI总结 本文提出了一种自动化抗拜占庭攻击的集群化去中心化联邦学习框架ABC-DFL,用于连接电动车的电池智能,通过引入动态Quorum拜占庭容错协议和基于或acles的聚合层,提高信任、安全和自动化水平,FLECA协议通过适应性阈值过滤恶意更新,有效缓解拜占庭攻击。

Comments 16 pages, 8 figures

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AI中文摘要

联邦学习(FL)已作为一种有前景的范式,用于管理智能交通系统(ITS)中的电动汽车(EV)电池数据,使其能够执行隐私保护的任务,如异常检测和容量估计。然而,大多数现有框架依赖于集中式聚合方案,这在安全性和信任方面存在关键限制。为了应对这些挑战,我们提出了ABC-DFL,一种用于连接电动车的自动化抗拜占庭攻击的集群化去中心化联邦学习(C-DFL)框架。所提出的激励驱动的C-DFL系统用开放许可的区块链取代中央服务器,特征新的动态Quorum拜占庭容错(QBFT)协议和基于或acles的聚合层,以增强信任、安全和自动化。ABC-DFL的核心是FLECA(过滤分层增强聚合),一种稳健的分层聚合协议,通过让每个EV使用基于其参考模型更新偏差的适应性阈值过滤恶意更新来缓解拜占庭攻击。Oracle节点负责跨组聚合,利用稳健的聚类来隔离和聚合来自可信EV组的模型更新。全面的实验评估显示,FLECA在良好条件下与FedProx收敛,并在适应性对抗场景中显著优于现有防御措施,攻击影响评分低于0.10。此外,多个多任务模型学习实验验证了激励机制的有效性和公平性。最后,链上和链下基准验证了ABC-DFL的实用性。

英文摘要

Federated learning (FL) has emerged as a promising paradigm for managing electric vehicle (EV) battery data in intelligent transportation systems (ITS), enabling privacy-preserving tasks such as anomaly detection and capacity estimation. However, most existing frameworks rely on centralized aggregation schemes, which pose critical limitations in terms of security and trust. To address these challenges, we propose ABC-DFL, an automated Byzantine-resilient clustered decentralized federated learning (C-DFL) framework for connected EVs. The proposed incentive-driven C-DFL system replaces the central server with an open-permissioned blockchain, featuring a new dynamic Quorum Byzantine Fault Tolerance (QBFT) protocol and an oracle-based aggregation layer, to enhance trust, security, and automation. At the core of ABC-DFL lies FLECA (Filtered Layered Enhanced Clustering Aggregation), a robust hierarchical aggregation protocol that mitigates Byzantine attacks by having each EV filter malicious updates using an adaptive threshold based on deviations from its reference model update. Oracle nodes, responsible for inter-group aggregation, employ robust clustering to isolate and aggregate model updates from trustworthy EV groups. Comprehensive experimental evaluations demonstrate that FLECA matches FedProx convergence under benign conditions and significantly outperforms existing defenses with attack impact scores below 0.10 in adaptive adversarial scenarios. Furthermore, several learning experiments with multitask models confirm the effectiveness and fairness of the incentive mechanism. Finally, on-chain and off-chain benchmarks validate the practicality of ABC-DFL.

2603.17777 2026-06-18 cond-mat.supr-con cond-mat.mtrl-sci 85%

Reaching Quantum Critical Point by Adding Non-magnetic Disorder in Single Crystals of Superconductor $(\text{Ca}_x\text{Sr}_{1-x})_3\text{Rh}_4\text{Sn}_{13}$

通过添加非磁性杂质达到量子临界点:在超导体$(\text{Ca}_x\text{Sr}_{1-x})_3\text{Rh}_4\text{Sn}_{13}$单晶中

Elizabeth H. Krenkel, Makariy A. Tanatar, Romain Grasset, Marcin Kończykowski, Shuzhang Chen, Cedomir Petrovic, Alex Levchenko, Ruslan Prozorov

专题命中 其他科学智能 :研究超导体量子临界点,属于凝聚态物理

AI总结 研究通过非磁性杂质调控超导体$(\text{Ca}_x\text{Sr}_{1-x})_3\text{Rh}_4\text{Sn}_{13}$的电阻率,发现量子临界点位于x=0.75至0.85之间,支持杂质可驱动系统进入量子临界区的观点。

Journal ref Phys. Rev. Research 8, 023183 (2026)

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AI中文摘要

Remeika系列超导体$(\text{Ca}_x\text{Sr}_{1-x})_3\text{Rh}_4\text{Sn}_{13}$显示出罕见的非磁性量子临界点(QCP),与超导性‘穹顶’下的连续电荷密度波(CDW)和结构相变相关。本文通过2.5 MeV电子辐照引入非磁性点状杂质,抑制CDW并驱动系统达到甚至超越QCP。这一结论基于电阻率ρ(T)随杂质量增加从费米液体到非费米液体区域的演变。在CDW侧,低于建议的QCP浓度x_c=0.9时,添加的杂质导致ρ(T)中线性项增大而二次项减小。在长程CDW秩序被抑制至T=0的剂量下,观察到几乎完美的T-线性依赖性,符合预期。我们细化了该系统的QCP位置,将其置于x=0.75至0.85之间。结果支持杂质可调控系统进入量子临界区的观点,并遵循Imry和Ma的论证,任何有序相都易受淬火杂质扰动。通过可控引入,这种杂质成为一种新的非热调控参数,可能适用于多种不同系统。

英文摘要

The Remeika series superconductor, $(\text{Ca}_x\text{Sr}_{1-x})_3\text{Rh}_4\text{Sn}_{13}$, shows a rare nonmagnetic quantum critical point (QCP) associated with the continuous charge-density wave (CDW) and structural transition under the ``dome'' of superconductivity achieved by tuning composition and applying pressure. Here we use a nonmagnetic point-like disorder induced by 2.5 MeV electron irradiation to suppress the CDW and drive the system to and even beyond the QCP. This conclusion is based on a clear evolution of temperature-dependent resistivity, $ρ\left(T\right)$, from the Fermi liquid to the non-Fermi liquid regime with increasing amount of disorder. Starting on the CDW side, below the suggested QCP concentration of $x_c=0.9$, added disorder resulted in a progressively larger linear term and a reduced quadratic term in $ρ\left(T\right)$. Nearly perfect $T-$linear dependence is observed at the dose at which long-range CDW order is suppressed to $T=$0, consistent with the expectations. We refine the QCP location in this system and place it in the interval between $x=$0.75 and 0.85. Our results strongly support the concept that the disorder can tune the system to the quantum critical regime and even beyond. It follows from the argument by Imry and Ma that any ordered phase is unstable toward quenched disorder. Introduced in a controlled way, this disorder becomes a novel non-thermal tuning parameter likely applicable to a variety of different systems.

2603.10412 2026-06-18 cond-mat.str-el cond-mat.mtrl-sci 85%

Long-range magnetic order with disordered spin orientations in a high-entropy antiferromagnet

高熵反铁磁体中长程磁序与无序自旋取向

Yao Shen, Guangkai Zhang, Qinghua Zhang, Xuejuan Gui, Yu Zhang, Heemin Lee, Cheng-Tai Kuo, Jun-Sik Lee, Ronny Sutarto, Feng Ye, Zhao Pan, Xiaomei Qin, Jinchen Wang, Tianping Ying, Youwen Long

专题命中 其他科学智能 :高熵反铁磁体中的长程磁序,属于凝聚态物理

AI总结 研究发现高熵材料中存在长程反铁磁序,尽管原子无序,但四种过渡金属元素协同稳定了无序自旋取向的磁序,揭示了复杂磁系统的新机制。

Comments 10 pages, plus references, 1 table, 4 figures, and Supplementary information, accepted for publication in Nature Communications

Journal ref Nature Communications 17, 3558 (2026)

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AI中文摘要

磁性系统中的无序通常会抑制长程有序,促进短程状态如磁性玻璃和磁簇。这在高熵材料中尤为显著,其特征是局部磁性实体和交换相互作用的随机分布。然而,在罕见情况下,高熵系统中仍可保持长程磁序,而微观特性及机理仍不明确,尤其是单个元素的磁性行为。本文结合中子衍射和共振软X射线散射,对高熵蜂窝晶格范德瓦尔材料(Mn1/4Fe1/4Co1/4Ni1/4)PS3的磁序进行了元素特异性研究。尽管存在显著的原子无序,低于72 K时仍观察到长程锯齿状反铁磁序,所有四种过渡金属元素参与统一相变。然而,不同元素的自旋取向各异,归因于单离子各向异性和交换相互作用的竞争。本研究展示了一种新型长程磁序,具有无序自旋取向,由高熵磁体中不同磁性元素协同稳定,为理解复杂磁系统提供了新范式。

英文摘要

Disorder in magnetic systems typically suppresses long-range order, promoting short-range states such as spin glasses and magnetic clusters. This is particularly prominent in high-entropy materials, characterized by the random distributions of local magnetic entities and exchange interactions. However, in rare exceptions, long-range magnetic order can persist in high-entropy systems, while the microscopic characters and underlying mechanisms remain elusive, especially the magnetic behaviors of individual elements. Here, combining neutron diffraction and resonant soft x-ray scattering, we have conducted an element-specific investigation into the magnetic order of a high-entropy honeycomb-lattice van der Waals material (Mn1/4Fe1/4Co1/4Ni1/4)PS3. Despite significant atomic disorder, long-range zigzag antiferromagnetic order is observed below 72 K, with all four transition-metal elements participating in a unified phase transition. However, the spin orientations of various elements are distinct, attributed to the competition between single-ion anisotropies and exchange interactions. Our findings showcase a novel form of long-range magnetic order with disordered spin orientations, which is synergically stabilized by distinct magnetic elements in a high entropy magnet, offering a new paradigm for understanding complex magnetic systems.

2602.19591 2026-06-18 cs.LG cs.AI 版本更新 85%

Detecting High-Potential SMEs with Heterogeneous Graph Neural Networks

使用异构图神经网络检测高潜力中小企业

Yijiashun Qi, Hanzhe Guo, Yijiazhen Qi

发表机构 * University of Michigan(密歇根大学) The University of Hong Kong(香港大学)

专题命中 其他科学智能 :用图神经网络预测中小企业发展潜力,属于科学智能应用

AI总结 提出SME-HGT异构图Transformer框架,利用公开数据构建包含公司、研究主题和政府机构的异构图,预测SBIR第一阶段获奖者能否进入第二阶段,AUPRC达0.621,优于基线模型。

Comments accepted by (ICIIS 2026)

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AI中文摘要

中小企业占美国企业的99.9%,贡献44%的经济活动,但系统性地识别高潜力中小企业仍是一个开放挑战。我们提出了SME-HGT,一个异构图Transformer框架,仅使用公开数据预测哪些SBIR第一阶段获奖者将进入第二阶段资助。我们构建了一个异构图,包含32,268个公司节点、124个研究主题节点和13个政府机构节点,通过约99,000条边连接三种语义关系类型。SME-HGT在时间分割测试集上达到0.621±0.003的AUPRC,在五个随机种子上优于MLP基线(0.590±0.002)和R-GCN(0.608±0.013)。在筛选深度为100家公司时,SME-HGT达到89.6%的精确率,比随机选择提升2.14倍。我们的时间评估协议防止信息泄露,对公开数据的依赖确保了可重复性。这些结果表明,公司、研究主题和资助机构之间的关系结构为中小企业潜力评估提供了有意义的信号,对政策制定者和早期投资者具有启示意义。

英文摘要

Small and Medium Enterprises (SMEs) constitute 99.9% of U.S. businesses and generate 44% of economic activity, yet systematically identifying high-potential SMEs remains an open challenge. We introduce SME-HGT, a Heterogeneous Graph Transformer framework that predicts which SBIR Phase I awardees will advance to Phase II funding using exclusively public data. We construct a heterogeneous graph with 32,268 company nodes, 124 research topic nodes, and 13 government agency nodes connected by approximately 99,000 edges across three semantic relation types. SME-HGT achieves an AUPRC of 0.621 0.003 on a temporally-split test set, outperforming an MLP baseline (0.590 0.002) and R-GCN (0.608 0.013) across five random seeds. At a screening depth of 100 companies, SME-HGT attains 89.6% precision with a 2.14 lift over random selection. Our temporal evaluation protocol prevents information leakage, and our reliance on public data ensures reproducibility. These results demonstrate that relational structure among firms, research topics, and funding agencies provides meaningful signal for SME potential assessment, with implications for policymakers and early-stage investors.

2601.18637 2026-06-18 quant-ph cs.LG stat.ML 85%

Universality of Many-body Projected Ensemble for Learning Quantum Data Distribution

多重体投影集合在学习量子数据分布中的普遍性

Quoc Hoan Tran, Koki Chinzei, Yasuhiro Endo, Hirotaka Oshima

发表机构 * Quantum Laboratory, Fujitsu Research, Fujitsu Limited, Kawasaki, Kanagawa 211-8588, Japan(富士通量子实验室,富士通研究,富士通株式会社,神户,神奈川县211-8588,日本)

专题命中 其他科学智能 :量子机器学习中投影集合的普遍性,属于科学智能

AI总结 本文探讨了多重体投影集合框架在量子机器学习中的普遍性,证明了其能近似任意纯态分布,并提出改进训练的增量MPE方法,通过实验验证了其在复杂量子数据分布学习中的有效性。

Comments 21 pages, 6 figures (added Github repository)

Journal ref IJCNN 2026

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AI中文摘要

生成量子数据需学习其底层量子分布,这在理论和实践中都面临挑战,但对理解量子系统至关重要。本文通过证明多重体投影集合框架的普遍性定理,回答了量子机器学习中参数化模型能否近似任意量子分布的问题。该定理表明MPE能在1-Wasserstein距离误差内近似任意纯态分布,提供了严格的通用表达性保证,填补了QML的关键理论空白。为提高实用性,我们提出具有层间训练的增量MPE变体。在聚类量子态和量子化学数据集上的数值实验验证了MPE在学习复杂量子数据分布中的有效性。

英文摘要

Generating quantum data by learning the underlying quantum distribution poses challenges in both theoretical and practical scenarios, yet it is a critical task for understanding quantum systems. A fundamental question in quantum machine learning (QML) is the universality of approximation: whether a parameterized QML model can approximate any quantum distribution. We address this question by proving a universality theorem for the Many-body Projected Ensemble (MPE) framework, a method for quantum state design that uses a single many-body wave function to prepare random states. This demonstrates that MPE can approximate any distribution of pure states within a 1-Wasserstein distance error. This theorem provides a rigorous guarantee of universal expressivity, addressing key theoretical gaps in QML. For practicality, we propose an Incremental MPE variant with layer-wise training to improve the trainability. Numerical experiments on clustered quantum states and quantum chemistry datasets validate MPE's efficacy in learning complex quantum data distributions.

4. 气象气候 1 篇

2601.17462 2026-06-18 physics.ao-ph physics.soc-ph 版本更新 85%

Atmospheric Methane Removal as a Third Climate Intervention: Termination Risks and Air Pollutant Effects

大气甲烷去除作为第三种气候干预:终止风险与空气污染物效应

Katsumasa Tanaka, Weiwei Xiong, Didier A. Hauglustaine, Daniel J. A. Johansson, Nico Bauer, Philippe Bousquet, Philippe Ciais, Renaud de Richter, Marianne T. Lund, Ragnhild B. Skeie, Eric Zusman

专题命中 气象气候 :研究大气甲烷去除,属于气象气候

AI总结 研究大气甲烷去除(AMR)作为第三种气候干预手段,分析其终止风险与空气污染物效应,发现AMR的避免变暖不可持久,但终止后温度反弹比太阳辐射管理(SRM)缓和,且对对流层臭氧的影响受背景污染物水平调节。

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AI中文摘要

大气甲烷去除(AMR)是第三种气候干预类别,与二氧化碳去除(CDR)和太阳辐射管理(SRM)并列。我们表明,与CDR不同,由于甲烷的大气寿命短,AMR避免的变暖不可持久,尽管其终止后的温度反弹比SRM更缓和。AMR对对流层臭氧的影响可进一步受背景污染物水平调节。

英文摘要

Atmospheric Methane Removal (AMR) is a third class of climate intervention, along with Carbon Dioxide Removal (CDR) and Solar Radiation Management (SRM). We show that, unlike CDR, the avoided warming by AMR is not durable due to methane's short atmospheric lifetime, although its temperature rebound upon termination is less abrupt than that of SRM. AMR's impact on tropospheric ozone can be further modulated by background pollutant levels.