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Orthogonal polynomials and perfect state transfer. 正交多项式与完全状态转移。
IF 3.7 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-10-09 DOI: 10.1098/rsta.2024.0414
Rachel Bailey

The aim of this review is to discuss some applications of orthogonal polynomials in quantum information processing. The hope is to keep the paper self-contained so that someone wanting a brief introduction to the theory of orthogonal polynomials and continuous time quantum walks on graphs may find it in one place. In particular, we focus on the associated Jacobi operators and discuss how these can be used to detect perfect state transfer (PST). We also discuss how orthogonal polynomials have been used to give results which are analogous to those given by Karlin and McGregor when studying classical birth and death processes. Finally, we show how these ideas have been extended to quantum walks with more than nearest-neighbour interactions using exceptional orthogonal polynomials (XOPs). We also provide a (non-exhaustive) list of related open questions.This article is part of the theme issue 'Numerical analysis, spectral graph theory, orthogonal polynomials and quantum algorithms'.

本文主要讨论正交多项式在量子信息处理中的一些应用。希望能保持论文的自成体系,这样那些想要简单介绍正交多项式理论和图上连续时间量子行走的人就可以在一个地方找到它。特别地,我们关注相关的Jacobi算子,并讨论如何使用它们来检测完美状态转移(PST)。我们还讨论了如何使用正交多项式来给出与Karlin和McGregor在研究经典生死过程时给出的结果类似的结果。最后,我们展示了如何使用例外正交多项式(XOPs)将这些想法扩展到具有更近邻相互作用的量子行走。我们还提供了一个(非详尽的)相关开放问题列表。本文是专题“数值分析、谱图理论、正交多项式和量子算法”的一部分。
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引用次数: 0
State transfer in chiral quantum walks. 手性量子行走中的状态转移。
IF 3.7 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-10-09 DOI: 10.1098/rsta.2024.0420
Antonio Acuaviva, Ada Chan, Summer Eldridge, Chris Godsil, Matthew How-Chun-Lun, Christino Tamon, Emily Wright, Xiaohong Zhang

The chiral quantum walk is an emerging tool for state transfer as it helps circumvent the barrier of no-go theorems in quantum transport. Yet, it remains largely unexplored. We prove a conjecture that universal monogamy violations for perfect quantum transfer in large graphs require couplings beyond the simple imaginary [Formula: see text]. This motivates our constructions of new monogamy violations on sparse graph products. Then, we show a novel violation of periodicity and the first known examples of one-way perfect quantum transfer via transcendental couplings.This article is part of the theme issue 'Numerical analysis, spectral graph theory, orthogonal polynomials and quantum algorithms'.

手性量子行走是一种新兴的状态转移工具,因为它有助于规避量子输运中不走定理的障碍。然而,它在很大程度上仍未被探索。我们证明了一个猜想,即大图中完美量子转移的普遍一夫一妻制违反需要超越简单虚数的耦合[公式:见文本]。这激发了我们在稀疏图积上构造新的一夫一妻制违反。然后,我们展示了一种新的周期性违反和已知的通过超越耦合的单向完美量子转移的第一个例子。本文是专题“数值分析、谱图理论、正交多项式和量子算法”的一部分。
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引用次数: 0
Numerical analysis, spectral graph theory, orthogonal polynomials and quantum algorithms. 数值分析,谱图理论,正交多项式和量子算法。
IF 3.7 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-10-09 DOI: 10.1098/rsta.2024.0426
Anastasiia Minenkova, Gamal Mograby, Hanmeng Zhan

Recent progress in quantum computing shows the need to incorporate many branches of mathematics (graph theory, matrix theory, optimization, theory of orthogonal polynomials and more) into physics, computer science and chemistry. At the 2024 SIAM Quantum Intersections Convening, Bert de Jong (Lawrence Berkeley National Laboratory) gave a talk entitled 'Quantum Science Needs Mathematicians' (Report of the SIAM Quantum Intersections Convening. Integrating Mathematical Scientists into Quantum Research, 7-9 October 2024, Tysons, Virginia (doi:10.11337/25M1741017)), since despite the growing demand for research in these domains, the mathematical sciences community has remained largely disengaged from quantum research, with only a few isolated areas of active involvement. This issue brings together researchers from different areas of mathematics to show the relation between spectral graph theory, the theory of orthogonal polynomials and numerical analysis. This interconnectedness highlights the versatility and importance of these areas of mathematics in the context of quantum computing.This article is part of the theme issue 'Numerical analysis, spectral graph theory, orthogonal polynomials and quantum algorithms'.

量子计算的最新进展表明,需要将数学的许多分支(图论、矩阵论、优化、正交多项式理论等)纳入物理学、计算机科学和化学。在2024年SIAM量子交叉点会议上,Bert de Jong(劳伦斯伯克利国家实验室)做了题为“量子科学需要数学家”的演讲(SIAM量子交叉点会议报告)。将数学科学家整合到量子研究中,2024年10月7-9日,弗吉尼亚州泰森斯(doi:10.11337/25M1741017)),因为尽管这些领域的研究需求不断增长,但数学科学界仍然基本上脱离量子研究,只有少数孤立的领域积极参与。本期杂志汇集了来自不同数学领域的研究人员,展示了谱图理论、正交多项式理论和数值分析之间的关系。这种相互联系突出了这些数学领域在量子计算背景下的多功能性和重要性。本文是专题“数值分析、谱图理论、正交多项式和量子算法”的一部分。
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引用次数: 0
Trilateration of blast wave arrival time: an inverse method for determining explosive yield and position. 爆炸波到达时间的三边测量:一种确定爆炸当量和爆炸位置的逆方法。
IF 3.7 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-09-25 DOI: 10.1098/rsta.2024.0040
Jay Karlsen, Dain G Farrimond, Tommy J Lodge, Samuel E Rigby, Andrew Tyas, Sam D Clarke, Timothy R Brewer

This paper details the development of a rapid inverse approach to determine the yield and location of an explosion through trilateration of empirical laws for blast wave arrival time. A rigorous sensitivity analysis of measurement uncertainty is first performed. From this, a probabilistic framework is proposed that utilizes Monte Carlo sampling of datasets to mitigate the effects of the variability and uncertainties typically present in blast events. Subsequently, the trilateration method is successfully applied to two existing datasets. Analysing well-controlled small-scale laboratory experiments, charge mass is predicted within 6.3% of the true yield, and position within 3.65 charge radii of the true centre. Social media footage of the 2020 Beirut explosion is then used to assess performance against data collected under in-field conditions. The predicted yield of 0.52 kt[Formula: see text] shows good agreement with the literature, and charge position is predicted to within the radius of the crater. Trilateration is shown to be able to rapidly and reliably determine explosive yield and centre, despite large levels of sensor noise. The sub-second computation time of this approach offers the possibility to better model and predict the damage and injury patterns immediately after an explosion, facilitating more effective disaster response planning.This article is part of the theme issue 'Frontiers of applied inverse problems in science and engineering'.

本文详细介绍了一种快速逆方法的发展,通过对爆炸波到达时间的经验规律的三边检验来确定爆炸的屈服和位置。首先对测量不确定度进行了严格的灵敏度分析。由此,提出了一个概率框架,该框架利用数据集的蒙特卡罗采样来减轻爆炸事件中通常存在的可变性和不确定性的影响。随后,将三边测量方法成功地应用于两个已有的数据集。通过分析控制良好的小规模实验室实验,预测电荷质量在真产率的6.3%以内,位置在真中心的3.65电荷半径以内。2020年贝鲁特爆炸的社交媒体视频随后被用于根据现场条件下收集的数据评估性能。预测产率为0.52 kt[公式:见文]与文献吻合较好,预测电荷位置在弹坑半径内。尽管传感器噪声很大,但三边测量显示能够快速可靠地确定爆炸当量和爆炸中心。该方法的亚秒级计算时间为更好地建模和预测爆炸后的破坏和伤害模式提供了可能,从而促进了更有效的灾难响应规划。本文是“逆问题在科学与工程中的应用前沿”主题的一部分。
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引用次数: 0
Boosting positron emission tomography reconstruction with positional encoding-based deep image prior. 基于位置编码的深度图像先验增强正电子发射层析成像重建。
IF 3.7 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-09-25 DOI: 10.1098/rsta.2024.0049
Saima Ashraf, Qianxue Shan, Wuqing Ning, Dong Liu

In this paper, we leverage the structured foundation of deep image prior to delve into the complexities of positron emission tomography (PET) image reconstruction. We aim to underscore the potential of deep learning in overcoming inherent challenges associated with PET imaging. Acknowledging the limitations of conventional supervised learning in this domain, we propose an innovative unsupervised approach employing deep neural networks to enhance PET reconstruction. A central focus of our study revolves around the spectral bias issue that arises during PET image reconstruction. To tackle this challenge, we introduce a comprehensive framework that incorporates Gaussian Fourier features and Uniform Positional encoding. Our approaches undergo rigorous testing on both Brainweb data and naive rat data, revealing a noticeable improvement in image reconstruction performance. This underscores the efficacy of our framework in advancing PET imaging methodologies.This article is part of the theme issue 'Frontiers of applied inverse problems in science and engineering'.

在本文中,我们利用深度图像的结构化基础,深入研究正电子发射断层扫描(PET)图像重建的复杂性。我们的目标是强调深度学习在克服PET成像相关固有挑战方面的潜力。认识到传统监督学习在该领域的局限性,我们提出了一种创新的无监督方法,利用深度神经网络来增强PET重建。我们研究的一个中心焦点是围绕PET图像重建过程中出现的光谱偏差问题。为了应对这一挑战,我们引入了一个综合框架,该框架结合了高斯傅立叶特征和统一位置编码。我们的方法在Brainweb数据和幼稚的大鼠数据上进行了严格的测试,显示出图像重建性能的显着改善。这强调了我们的框架在推进PET成像方法方面的有效性。本文是“逆问题在科学与工程中的应用前沿”主题的一部分。
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引用次数: 0
Segmentation of experimental eddy current testing data via matching component analysis. 基于匹配分量分析的实验涡流检测数据分割。
IF 3.7 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-09-25 DOI: 10.1098/rsta.2024.0048
Laura Homa, Matthew Cherry, John Wertz

Microtexture regions (MTRs) are collections of grains with similar crystallographic orientation. When present in aerospace components, they can potentially limit component life. As such, a non-destructive evaluation (NDE) method to detect and characterize MTR is desired. One potential solution is to use an electromagnetic NDE method known as eddy current testing (ECT), which is sensitive to local conductivity variations associated with MTR. Recent work has shown that MTR boundaries and orientation can be determined from ECT data using a variant of matching component analysis (MCA) combined with a regularization method originally developed for image deblurring. However, this method has only been demonstrated on simulated ECT data. In this work, we apply the previously developed method to experimental ECT data of a large grain titanium specimen. We show that we are able to determine grain boundaries and orientation from experimental ECT data, serving as a first step to full MTR characterization.This article is part of the theme issue 'Frontiers of applied inverse problems in science and engineering'.

微织构区(MTRs)是具有相似晶体取向的晶粒的集合。当它们出现在航空航天部件中时,可能会限制部件的使用寿命。因此,需要一种非破坏性评估(NDE)方法来检测和表征MTR。一种可能的解决方案是使用一种被称为涡流测试(ECT)的电磁无损检测方法,这种方法对与MTR相关的局部电导率变化很敏感。最近的研究表明,可以使用匹配分量分析(MCA)的变体与最初为图像去模糊而开发的正则化方法相结合,从ECT数据中确定MTR边界和方向。然而,这种方法只在模拟电痉挛数据上得到证实。在这项工作中,我们将先前开发的方法应用于大晶粒钛试件的实验电阻抗数据。我们表明,我们能够从实验ECT数据中确定晶界和取向,作为完整MTR表征的第一步。本文是“逆问题在科学与工程中的应用前沿”主题的一部分。
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引用次数: 0
Coefficient-to-Basis Network: a fine-tunable operator learning framework for inverse problems with adaptive discretizations and theoretical guarantees. 系数到基网络:具有自适应离散化和理论保证的逆问题的可微调算子学习框架。
IF 3.7 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-09-25 DOI: 10.1098/rsta.2024.0054
Zecheng Zhang, Hao Liu, Wenjing Liao, Guang Lin

We propose a Coefficient-to-Basis Network (C2BNet), a novel framework for solving inverse problems within the operator learning paradigm. C2BNet efficiently adapts to different discretizations through fine-tuning, using a pre-trained model to significantly reduce computational cost while maintaining high accuracy. Unlike traditional approaches that require retraining from scratch for new discretizations, our method enables seamless adaptation without sacrificing predictive performance. Furthermore, we establish theoretical approximation and generalization error bounds for C2BNet by exploiting low-dimensional structures in the underlying datasets. Our analysis demonstrates that C2BNet adapts to low-dimensional structures without relying on explicit encoding mechanisms, highlighting its robustness and efficiency. To validate our theoretical findings, we conducted extensive numerical experiments that showcase the superior performance of C2BNet on several inverse problems. The results confirm that C2BNet effectively balances computational efficiency and accuracy, making it a promising tool to solve inverse problems in scientific computing and engineering applications.This article is part of the theme issue 'Frontiers of applied inverse problems in science and engineering'.

我们提出了一个系数到基网络(C2BNet),这是一个在算子学习范式中解决逆问题的新框架。C2BNet通过微调有效适应不同的离散化,使用预训练模型,在保持高精度的同时显著降低计算成本。不像传统方法需要从头开始重新训练新的离散化,我们的方法可以在不牺牲预测性能的情况下实现无缝适应。此外,我们通过利用底层数据集中的低维结构,建立了C2BNet的理论近似和泛化误差界限。我们的分析表明,C2BNet可以适应低维结构,而不依赖于显式编码机制,突出了其鲁棒性和效率。为了验证我们的理论发现,我们进行了大量的数值实验,展示了C2BNet在几个逆问题上的优越性能。结果证实,C2BNet有效地平衡了计算效率和精度,使其成为解决科学计算和工程应用中逆问题的有前途的工具。本文是“逆问题在科学与工程中的应用前沿”主题的一部分。
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引用次数: 0
Deep learning-based artefact reduction in low-dose dental cone beam computed tomography with high-attenuation materials. 基于深度学习的高衰减材料低剂量牙锥束计算机断层伪影减少。
IF 3.7 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-09-25 DOI: 10.1098/rsta.2024.0045
Hyoung Suk Park, Kiwan Jeon, J K Seo

This paper examines the current challenges in computed tomography (CT), with a critical exploration of existing methodologies from a mathematical perspective. Specifically, it aims to identify research directions to enhance image quality in low-dose, cost-effective cone beam CT (CBCT) systems, which have recently gained widespread use in general dental clinics. Dental CBCT offers a substantial cost advantage over standard medical CT, making it affordable for local dental practices; however, this affordability brings significant challenges related to image quality degradation, further complicated by the presence of metallic implants, which are particularly common in older patients. This paper investigates metal-induced artefacts stemming from mismatches in the forward model used in conventional reconstruction methods and explains an alternative approach that bypasses the traditional Radon transform model. Additionally, it examines both the potential and limitations of deep learning-based methods in tackling these challenges, offering insights into their effectiveness in improving image quality in low-dose dental CBCT.This article is part of the theme issue 'Frontiers of applied inverse problems in science and engineering'.

本文探讨了当前计算机断层扫描(CT)的挑战,从数学的角度对现有方法进行了批判性的探索。具体而言,它旨在确定研究方向,以提高低剂量,经济高效的锥形束CT (CBCT)系统的图像质量,最近在普通牙科诊所得到广泛应用。与标准的医疗CT相比,牙科CBCT提供了巨大的成本优势,使其成为当地牙科诊所负担得起的;然而,这种可负担性带来了与图像质量下降相关的重大挑战,金属植入物的存在进一步复杂化,这在老年患者中尤其常见。本文研究了传统重建方法中使用的正演模型中由不匹配引起的金属诱发伪影,并解释了一种绕过传统Radon变换模型的替代方法。此外,它还研究了基于深度学习的方法在应对这些挑战方面的潜力和局限性,并提供了它们在提高低剂量牙科CBCT图像质量方面的有效性的见解。本文是“逆问题在科学与工程中的应用前沿”主题的一部分。
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引用次数: 0
Machine-learning perspectives on Volterra system identification. Volterra系统识别的机器学习视角。
IF 3.7 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-09-25 DOI: 10.1098/rsta.2024.0053
Keith Worden, Timothy Rogers, Oliver Preston

The Volterra series has been used in nonlinear system identification (NLSI) for decades; its frequency-domain counterpart allows a generalization of 'resonance curves' for nonlinear systems-so-called higher-order frequency-response functions (HFRFs). Estimating the terms in the series has often proved to be a challenge; however, the (comparatively) recent uptake of machine-learning technology into engineering dynamics has led to advances in the identification of the series-both for the Volterra kernels themselves and for the HFRFs. The current paper provides an overview of a number of approaches based on neural networks, Gaussian processes (GPs) and reproducing kernel Hilbert spaces (RKHSs), and presents new results for multi-input multi-output (MIMO) systems based on neural networks.This article is part of the theme issue 'Frontiers of applied inverse problems in science and engineering'.

Volterra系列已经在非线性系统识别(NLSI)中使用了几十年;它的频域对应物允许非线性系统的“共振曲线”的泛化,即所谓的高阶频率响应函数(HFRFs)。估计级数中的项常常被证明是一个挑战;然而,(相对而言)最近将机器学习技术引入工程动力学已经导致了对Volterra内核本身和hfrf系列识别的进步。本文概述了一些基于神经网络、高斯过程(gp)和核希尔伯特空间(RKHSs)的方法,并提出了基于神经网络的多输入多输出(MIMO)系统的新结果。本文是“逆问题在科学与工程中的应用前沿”主题的一部分。
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引用次数: 0
Separable hierarchical priors applied to analysis of synergies in human locomotion. 可分离层次先验在人体运动协同效应分析中的应用。
IF 3.7 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-09-25 DOI: 10.1098/rsta.2024.0055
Daniela Calvetti, Andrea N Arnold, Alexander P Hoover, Giorgio Davico, Erkki Somersalo

It has been hypothesized that during a motion task the central nervous system controls the skeletal muscles partitioning them into synergetic groups, hence effectively reducing the dimensionality of the control problem. The identification of muscle groups that are co-activated remains an open problem: its solution could have important implications in the design of training or rehabilitation protocols. In this article, we combine Bayesian inverse problem techniques and data science algorithms to identify muscle synergies in human motion from the motion tracker time series of positions of fiducial markers on the body during the task. The inverse problem of estimating the muscle activation patterns from the motion tracking data is cast in the Bayesian framework, and the posterior distribution of muscle activations is explored using Myobolica, a Gibbs-sampler-based Markov chain Monte Carlo sampler. A low-rank approximation of the muscle activation patterns is then obtained via a sparsity promoting Bayesian non-negative matrix factorization of the sample mean, where the sparse coefficient vectors correspond to groups of muscles that show co-activation over the sample.This article is part of the theme issue 'Frontiers of applied inverse problems in science and engineering'.

据推测,在运动任务中,中枢神经系统控制骨骼肌,将它们划分为协同组,从而有效地降低了控制问题的维度。识别共同激活的肌肉群仍然是一个悬而未决的问题:它的解决方案可能对训练或康复方案的设计具有重要意义。在本文中,我们结合贝叶斯反问题技术和数据科学算法,从任务期间身体上基准标记位置的运动跟踪时间序列中识别人体运动中的肌肉协同作用。在贝叶斯框架下,研究了从运动跟踪数据中估计肌肉激活模式的反问题,并使用基于吉布斯采样器的马尔可夫链蒙特卡罗采样器Myobolica探索了肌肉激活的后验分布。然后,通过样本均值的稀疏性促进贝叶斯非负矩阵分解获得肌肉激活模式的低秩近似,其中稀疏系数向量对应于在样本上显示共激活的肌肉组。本文是“逆问题在科学与工程中的应用前沿”主题的一部分。
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引用次数: 0
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Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
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