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A tighter generalization error bound for wide GCN based on loss landscape 基于损失分布的广义GCN更严格的泛化误差界
IF 2.6 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-08-01 Epub Date: 2025-05-21 DOI: 10.1016/j.acha.2025.101777
Xianchen Zhou , Kun Hu , Hongxia Wang
The generalization capability of Graph Convolutional Networks (GCNs) has been researched recently. The generalization error bound based on algorithmic stability is obtained for various structures of GCN. However, the generalization error bound computed by this method increases rapidly during the iteration since the algorithmic stability exponential depends on the number of iterations, which is not consistent with the performance of GCNs in practice. Based on the fact that the property of loss landscape, such as convex, exp-concave, or Polyak-Lojasiewicz* (PL*) leads to tighter stability and better generalization error bound, this paper focuses on the semi-supervised loss landscape of wide GCN. It shows that a wide GCN has a Hessian matrix with a small norm, which can lead to a positive definite training tangent kernel. Then GCN's loss can satisfy the PL* condition and lead to a tighter uniform stability independent of the iteration compared with previous work. Therefore, the generalization error bound in this paper depends on the graph filter's norm and layers, which is consistent with the experiments' results.
图卷积网络(GCNs)的泛化能力是近年来研究的热点。针对不同的GCN结构,给出了基于算法稳定性的泛化误差界。然而,由于算法稳定性指数依赖于迭代次数,该方法计算的泛化误差界在迭代过程中迅速增大,这与实际GCNs的性能不一致。基于损失格局如凸、expo -凹或Polyak-Lojasiewicz* (PL*)的性质导致更强的稳定性和更好的泛化误差界,本文重点研究了宽GCN的半监督损失格局。结果表明,宽GCN具有一个小范数的Hessian矩阵,可以得到正定的训练切核。那么GCN的损失可以满足PL*条件,并且与之前的工作相比具有更严格的不受迭代影响的均匀稳定性。因此,本文的泛化误差界取决于图滤波器的范数和层数,与实验结果一致。
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引用次数: 0
Sparsification of the regularized magnetic Laplacian with multi-type spanning forests 具有多类型跨林的正则磁拉普拉斯算子的稀疏化
IF 2.6 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-08-01 Epub Date: 2025-04-28 DOI: 10.1016/j.acha.2025.101766
M. Fanuel, R. Bardenet
In this paper, we consider a U(1)-connection graph, that is, a graph where each oriented edge is endowed with a unit modulus complex number that is conjugated under orientation flip. A natural replacement for the combinatorial Laplacian is then the magnetic Laplacian, an Hermitian matrix that includes information about the graph's connection. Magnetic Laplacians appear, e.g., in the problem of angular synchronization. In the context of large and dense graphs, we study here sparsifiers of the magnetic Laplacian Δ, i.e., spectral approximations based on subgraphs with few edges. Our approach relies on sampling multi-type spanning forests (MTSFs) using a custom determinantal point process, a probability distribution over edges that favors diversity. In a word, an MTSF is a spanning subgraph whose connected components are either trees or cycle-rooted trees. The latter partially capture the angular inconsistencies of the connection graph, and thus provide a way to compress the information contained in the connection. Interestingly, when the connection graph has weakly inconsistent cycles, samples from the determinantal point process under consideration can be obtained à la Wilson, using a random walk with cycle popping. We provide statistical guarantees for a choice of natural estimators of the connection Laplacian, and investigate two practical applications of our sparsifiers: ranking with angular synchronization and graph-based semi-supervised learning. From a statistical perspective, a side result of this paper of independent interest is a matrix Chernoff bound with intrinsic dimension, which allows considering the influence of a regularization – of the form Δ+qI with q>0 – on sparsification guarantees.
本文考虑一个U(1)-连接图,即每个有向边都有一个单位模复数,该复数在有向翻转下共轭。组合拉普拉斯的自然替代品是磁拉普拉斯,一个包含图连接信息的厄米矩阵。例如,在角同步问题中出现了磁拉普拉斯算子。在大而密集图的背景下,我们研究了磁拉普拉斯Δ的稀疏化算子,即基于少边子图的谱近似。我们的方法依赖于使用自定义确定性点过程对多类型跨越森林(mtsf)进行采样,这是一种有利于多样性的边缘概率分布。简而言之,MTSF是一个生成子图,其连接的组件要么是树,要么是环根树。后者部分捕获连接图的角度不一致,从而提供一种压缩连接中包含的信息的方法。有趣的是,当连接图具有弱不一致的循环时,可以使用带有循环弹出的随机漫步,从所考虑的确定性点过程中获得样本。我们为连接拉普拉斯的自然估计量的选择提供了统计保证,并研究了我们的稀疏化器的两个实际应用:角同步排序和基于图的半监督学习。从统计的角度来看,本文的一个独立的结果是一个具有固有维数的矩阵Chernoff界,它允许考虑形式为Δ+qI with q>;0的正则化-对稀疏化保证的影响。
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引用次数: 0
Framelet message passing 小框架消息传递
IF 2.6 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-08-01 Epub Date: 2025-05-12 DOI: 10.1016/j.acha.2025.101773
Xinliang Liu , Bingxin Zhou , Chutian Zhang , Yu Guang Wang
Graph neural networks have achieved champions in wide applications. Neural message passing is a typical key module for feature propagation by aggregating neighboring features. In this work, we propose a new message passing based on multiscale framelet transforms, called Framelet Message Passing. Different from traditional spatial methods, it integrates framelet representation of neighbor nodes from multiple hops away in node message update. We also propose a continuous message passing using neural ODE solvers. Both discrete and continuous cases can provably mitigate oversmoothing and achieve superior performance. Numerical experiments on real graph datasets show that the continuous version of the framelet message passing significantly outperforms existing methods when learning heterogeneous graphs and achieves state-of-the-art performance on classic node classification tasks with low computational costs.
图神经网络已经取得了广泛的应用。神经信息传递是特征传播的典型关键模块,它通过对相邻特征的聚合实现特征传播。在这项工作中,我们提出了一种新的基于多尺度框架变换的消息传递,称为框架消息传递。与传统的空间方法不同,该方法在节点消息更新中集成了多跳相邻节点的框架表示。我们还提出了一个使用神经ODE求解器的连续消息传递。离散和连续两种情况都能有效地缓解过平滑,并获得较好的性能。在实际图数据集上的数值实验表明,连续版本的框架消息传递在学习异构图时明显优于现有的方法,并且在经典节点分类任务中具有较低的计算成本,达到了最先进的性能。
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引用次数: 0
A parameter-free two-bit covariance estimator with improved operator norm error rate 一种改进算子范数错误率的无参数二位协方差估计器
IF 2.6 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-08-01 Epub Date: 2025-05-02 DOI: 10.1016/j.acha.2025.101774
Junren Chen , Michael K. Ng
A covariance matrix estimator using two bits per entry was recently developed by Dirksen et al. (2022) [11]. The estimator achieves near minimax operator norm rate for general sub-Gaussian distributions, but also suffers from two downsides: theoretically, there is an essential gap on operator norm error between their estimator and sample covariance when the diagonal of the covariance matrix is dominated by only a few entries; practically, its performance heavily relies on the dithering scale, which needs to be tuned according to some unknown parameters. In this work, we propose a new 2-bit covariance matrix estimator that simultaneously addresses both issues. Unlike the sign quantizer associated with uniform dither in Dirksen et al., we adopt a triangular dither prior to a 2-bit quantizer inspired by the multi-bit uniform quantizer. By employing dithering scales varying across entries, our estimator enjoys an improved operator norm error rate that depends on the effective rank of the underlying covariance matrix rather than the ambient dimension, which is optimal up to logarithmic factors. Moreover, our proposed method eliminates the need of any tuning parameter, as the dithering scales are entirely determined by the data. While our estimator requires a pass of all unquantized samples to determine the dithering scales, it can be adapted to the online setting where the samples arise sequentially. Experimental results are provided to demonstrate the advantages of our estimators over the existing ones.
Dirksen等人(2022)最近开发了一种协方差矩阵估计器,每个条目使用两个比特。对于一般的亚高斯分布,该估计器实现了接近极大极小算子范数率,但也存在两个缺点:理论上,当协方差矩阵的对角线仅由少数项占主导时,其估计器与样本协方差之间的算子范数误差存在本质差距;实际上,它的性能很大程度上依赖于抖动尺度,抖动尺度需要根据一些未知参数进行调整。在这项工作中,我们提出了一个新的2位协方差矩阵估计器,同时解决了这两个问题。与Dirksen等人中与均匀抖动相关的符号量化器不同,我们在受多位均匀量化器启发的2位量化器之前采用了三角形抖动。通过使用不同条目的抖动尺度,我们的估计器具有改进的算子范数错误率,该错误率取决于底层协方差矩阵的有效秩,而不是环境维度,这是最优的,直到对数因子。此外,我们提出的方法不需要任何调优参数,因为抖动尺度完全由数据决定。虽然我们的估计器需要通过所有未量化的样本来确定抖动尺度,但它可以适应样本顺序出现的在线设置。实验结果证明了我们的估计器相对于现有估计器的优越性。
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引用次数: 0
Error estimate of the u-series method for molecular dynamics simulations 分子动力学模拟u系列方法的误差估计
IF 2.6 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-06-01 Epub Date: 2025-03-14 DOI: 10.1016/j.acha.2025.101759
Jiuyang Liang , Zhenli Xu , Qi Zhou
This paper provides an error estimate for the u-series method of the Coulomb interaction in molecular dynamics simulations. We show that the number of truncated Gaussians M in the u-series and the base of interpolation nodes b in the bilateral serial approximation are two key parameters for the algorithm accuracy, and that the errors converge as O(bM) for the energy and O(b3M) for the force. Error bounds due to numerical quadrature and cutoff in both the electrostatic energy and forces are obtained. Closed-form formulae are also provided, which are useful in the parameter setup for simulations under a given accuracy. The results are verified by analyzing the errors of two practical systems.
本文给出了分子动力学模拟中库仑相互作用的u系列方法的误差估计。我们证明了u序列中截断的高斯数M和双边序列逼近中插值节点的基数b是算法精度的两个关键参数,并且误差收敛为能量的O(b−M)和力的O(b−3M)。得到了静电能量和静电力的数值正交和截止误差限。本文还提供了封闭形式的公式,用于在给定精度下的仿真参数设置。通过对两个实际系统的误差分析,验证了上述结果。
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引用次数: 0
Entropy of compact operators with applications to Landau-Pollak-Slepian theory and Sobolev spaces 紧算子的熵及其在Landau-Pollak-Slepian理论和Sobolev空间中的应用
IF 2.6 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-06-01 Epub Date: 2025-03-21 DOI: 10.1016/j.acha.2025.101762
Thomas Allard, Helmut Bölcskei
We derive a precise general relation between the entropy of a compact operator and its eigenvalues. It is then shown how this result along with the underlying philosophy can be applied to improve substantially on the best known characterizations of the entropy of the Landau-Pollak-Slepian operator and the metric entropy of unit balls in Sobolev spaces.
我们导出了紧算子的熵与其特征值之间的一个精确的一般关系。然后展示了如何将这一结果与基本原理一起应用于大大改进最著名的Landau-Pollak-Slepian算子熵的表征和Sobolev空间中单位球的度量熵。
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引用次数: 0
Mathematical algorithm design for deep learning under societal and judicial constraints: The algorithmic transparency requirement 社会和司法约束下深度学习的数学算法设计:算法透明度要求
IF 2.6 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-06-01 Epub Date: 2025-03-24 DOI: 10.1016/j.acha.2025.101763
Holger Boche , Adalbert Fono , Gitta Kutyniok
Deep learning still has drawbacks regarding trustworthiness, which describes a comprehensible, fair, safe, and reliable method. To mitigate the potential risk of AI, clear obligations associated with trustworthiness have been proposed via regulatory guidelines, e.g., in the European AI Act. Therefore, a central question is to what extent trustworthy deep learning can be realized. Establishing the described properties constituting trustworthiness requires that the factors influencing an algorithmic computation can be retraced, i.e., the algorithmic implementation is transparent. Motivated by the observation that the current evolution of deep learning models necessitates a change in computing technology, we derive a mathematical framework that enables us to analyze whether a transparent implementation in a computing model is feasible. The core idea is to formalize and subsequently relate the properties of a transparent algorithmic implementation to the mathematical model of the computing platform, thereby establishing verifiable criteria.
We exemplarily apply our trustworthiness framework to analyze deep learning approaches for inverse problems in digital and analog computing models represented by Turing and Blum-Shub-Smale machines, respectively. Based on previous results, we find that Blum-Shub-Smale machines have the potential to establish trustworthy solvers for inverse problems under fairly general conditions, whereas Turing machines cannot guarantee trustworthiness to the same degree.
深度学习在可信度方面仍然存在缺陷,它描述了一种可理解、公平、安全、可靠的方法。为了减轻人工智能的潜在风险,已经通过监管指南(例如欧洲人工智能法案)提出了与可信度相关的明确义务。因此,一个核心问题是在多大程度上可以实现可信赖的深度学习。建立所描述的构成可信度的属性要求影响算法计算的因素可以追溯,即算法实现是透明的。由于观察到当前深度学习模型的发展需要改变计算技术,我们推导了一个数学框架,使我们能够分析计算模型中的透明实现是否可行。核心思想是形式化并随后将透明算法实现的属性与计算平台的数学模型联系起来,从而建立可验证的标准。例如,我们应用我们的可信度框架来分析数字和模拟计算模型中逆问题的深度学习方法,分别以图灵和Blum-Shub-Smale机器为代表。基于之前的结果,我们发现Blum-Shub-Smale机器有潜力在相当一般的条件下为逆问题建立可信解,而图灵机不能保证相同程度的可信度。
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引用次数: 0
The Large Deviation Principle for W-random spectral measures w -随机谱测量的大偏差原理
IF 2.6 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-06-01 Epub Date: 2025-02-21 DOI: 10.1016/j.acha.2025.101756
Mahya Ghandehari , Georgi S. Medvedev
The W-random graphs provide a flexible framework for modeling large random networks. Using the Large Deviation Principle (LDP) for W-random graphs from [19], we prove the LDP for the corresponding class of random symmetric Hilbert-Schmidt integral operators. Our main result describes how the eigenvalues and the eigenspaces of the integral operator are affected by large deviations in the underlying random graphon. To prove the LDP, we demonstrate continuous dependence of the spectral measures associated with integral operators on the corresponding graphons and use the Contraction Principle. To illustrate our results, we obtain leading order asymptotics of the eigenvalues of small-world and bipartite random graphs conditioned on atypical edge counts. These examples suggest several representative scenarios of how the eigenvalues and the eigenspaces are affected by large deviations. We discuss the implications of these observations for bifurcation analysis of Dynamical Systems and Graph Signal Processing.
W 随机图为大型随机网络建模提供了一个灵活的框架。利用文献[19]中针对 W-随机图的大偏差原理(LDP),我们证明了相应类别的随机对称希尔伯特-施密特积分算子的大偏差原理。我们的主要结果描述了积分算子的特征值和特征空间如何受到底层随机图元大偏差的影响。为了证明 LDP,我们证明了与积分算子相关的谱度量对相应图元的连续依赖性,并使用了收缩原理。为了说明我们的结果,我们获得了以非典型边数为条件的小世界和双方形随机图特征值的前阶渐近性。这些例子说明了特征值和特征空间如何受到大偏差的影响。我们将讨论这些观察结果对动态系统分岔分析和图信号处理的影响。
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引用次数: 0
Efficient identification of wide shallow neural networks with biases 带偏差的宽浅层神经网络的有效识别
IF 2.6 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-06-01 Epub Date: 2025-02-17 DOI: 10.1016/j.acha.2025.101749
Massimo Fornasier , Timo Klock , Marco Mondelli , Michael Rauchensteiner
The identification of the parameters of a neural network from finite samples of input-output pairs is often referred to as the teacher-student model, and this model has represented a popular framework for understanding training and generalization. Even if the problem is NP-complete in the worst case, a rapidly growing literature – after adding suitable distributional assumptions – has established finite sample identification of two-layer networks with a number of neurons m=O(D), D being the input dimension. For the range D<m<D2 the problem becomes harder, and truly little is known for networks parametrized by biases as well. This paper fills the gap by providing efficient algorithms and rigorous theoretical guarantees of finite sample identification for such wider shallow networks with biases. Our approach is based on a two-step pipeline: first, we recover the direction of the weights, by exploiting second order information; next, we identify the signs by suitable algebraic evaluations, and we recover the biases by empirical risk minimization via gradient descent. Numerical results demonstrate the effectiveness of our approach.
从有限的输入输出对样本中识别神经网络的参数通常被称为师生模型,这种模型代表了一种理解训练和泛化的流行框架。即使在最坏的情况下问题是np完全的,在添加合适的分布假设之后,快速增长的文献已经建立了具有若干神经元m=O(D)的两层网络的有限样本识别,D是输入维。对于D<;m<;D2范围,问题变得更加困难,对于被偏差参数化的网络,我们也知之甚少。本文通过提供有效的算法和严格的理论保证来填补这一空白,用于这种具有偏差的更广泛的浅层网络的有限样本识别。我们的方法基于两步管道:首先,我们通过利用二阶信息恢复权重的方向;接下来,我们通过适当的代数评估来识别符号,并通过梯度下降的经验风险最小化来恢复偏差。数值结果证明了该方法的有效性。
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引用次数: 0
An inverse problem for Dirac systems on p-star-shaped graphs p星形图上Dirac系统的反问题
IF 2.6 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-06-01 Epub Date: 2025-03-20 DOI: 10.1016/j.acha.2025.101760
Yu Ping Wang , Yan-Hsiou Cheng
In this paper, we study direct and inverse problems for Dirac systems with complex-valued potentials on p-star-shaped graphs. More precisely, we firstly obtain sharp 2-term asymptotics of the corresponding eigenvalues. We then formulate and address a Horváth-type theorem, specifically, if the potentials on p1 edges of the p-star-shaped graph are predetermined, we demonstrate that the remaining potential on [0,π] can be uniquely determined by part of its eigenvalues and the given remaining potential on [a,π], 0<aπ, under certain conditions.
本文研究了p星形图上具有复值势的Dirac系统的正逆问题。更准确地说,我们首先得到了相应特征值的尖锐的2项渐近性。然后,我们提出并解决了Horváth-type定理,具体地说,如果p星形图的p−1边上的势是预定的,我们证明了在一定条件下,[0,π]上的剩余势可以由它的部分特征值和[a,π], 0<;a≤π上给定的剩余势唯一地确定。
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引用次数: 0
期刊
Applied and Computational Harmonic Analysis
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