我们介绍了CheBlieset,一种对(各向异性)歧管的组成的方法。对基于GRAP和基于组的神经网络的成功进行冲浪,我们利用了几何深度学习领域的最新发展,以推导出一种新的方法来利用数据中的任何各向异性。通过离散映射的谎言组,我们开发由各向异性卷积层(Chebyshev卷积),空间汇集和解凝层制成的图形神经网络,以及全球汇集层。集团的标准因素是通过具有各向异性左不变性的黎曼距离的图形上的等级和不变的运算符来实现的。由于其简单的形式,Riemannian公制可以在空间和方向域中模拟任何各向异性。这种对Riemannian度量的各向异性的控制允许平衡图形卷积层的不变性(各向异性度量)的平衡(各向异性指标)。因此,我们打开大门以更好地了解各向异性特性。此外,我们经验证明了在CIFAR10上的各向异性参数的存在(数据依赖性)甜点。这一关键的结果是通过利用数据中的各向异性属性来获得福利的证据。我们还评估了在STL10(图像数据)和ClimateNet(球面数据)上的这种方法的可扩展性,显示了对不同任务的显着适应性。
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Many scientific fields study data with an underlying structure that is a non-Euclidean space. Some examples include social networks in computational social sciences, sensor networks in communications, functional networks in brain imaging, regulatory networks in genetics, and meshed surfaces in computer graphics. In many applications, such geometric data are large and complex (in the case of social networks, on the scale of billions), and are natural targets for machine learning techniques. In particular, we would like to use deep neural networks, which have recently proven to be powerful tools for a broad range of problems from computer vision, natural language processing, and audio analysis. However, these tools have been most successful on data with an underlying Euclidean or grid-like structure, and in cases where the invariances of these structures are built into networks used to model them.Geometric deep learning is an umbrella term for emerging techniques attempting to generalize (structured) deep neural models to non-Euclidean domains such as graphs and manifolds. The purpose of this paper is to overview different examples of geometric deep learning problems and present available solutions, key difficulties, applications, and future research directions in this nascent field.
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定义网格上卷积的常用方法是将它们作为图形解释并应用图形卷积网络(GCN)。这种GCNS利用各向同性核,因此对顶点的相对取向不敏感,从而对整个网格的几何形状。我们提出了规范的等分性网状CNN,它概括了GCNS施加各向异性仪表等级核。由于产生的特征携带方向信息,我们引入了通过网格边缘并行传输特征来定义的几何消息传递方案。我们的实验验证了常规GCN和其他方法的提出模型的显着提高的表达性。
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The principle of equivariance to symmetry transformations enables a theoretically grounded approach to neural network architecture design. Equivariant networks have shown excellent performance and data efficiency on vision and medical imaging problems that exhibit symmetries. Here we show how this principle can be extended beyond global symmetries to local gauge transformations. This enables the development of a very general class of convolutional neural networks on manifolds that depend only on the intrinsic geometry, and which includes many popular methods from equivariant and geometric deep learning.We implement gauge equivariant CNNs for signals defined on the surface of the icosahedron, which provides a reasonable approximation of the sphere. By choosing to work with this very regular manifold, we are able to implement the gauge equivariant convolution using a single conv2d call, making it a highly scalable and practical alternative to Spherical CNNs. Using this method, we demonstrate substantial improvements over previous methods on the task of segmenting omnidirectional images and global climate patterns.
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Deep learning has achieved a remarkable performance breakthrough in several fields, most notably in speech recognition, natural language processing, and computer vision. In particular, convolutional neural network (CNN) architectures currently produce state-of-the-art performance on a variety of image analysis tasks such as object detection and recognition. Most of deep learning research has so far focused on dealing with 1D, 2D, or 3D Euclideanstructured data such as acoustic signals, images, or videos. Recently, there has been an increasing interest in geometric deep learning, attempting to generalize deep learning methods to non-Euclidean structured data such as graphs and manifolds, with a variety of applications from the domains of network analysis, computational social science, or computer graphics. In this paper, we propose a unified framework allowing to generalize CNN architectures to non-Euclidean domains (graphs and manifolds) and learn local, stationary, and compositional task-specific features. We show that various non-Euclidean CNN methods previously proposed in the literature can be considered as particular instances of our framework. We test the proposed method on standard tasks from the realms of image-, graphand 3D shape analysis and show that it consistently outperforms previous approaches.
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散射变换是一种基于小波的多层转换,最初是作为卷积神经网络(CNN)的模型引入的,它在我们对这些网络稳定性和不变性属性的理解中发挥了基础作用。随后,人们普遍兴趣将CNN的成功扩展到具有非欧盟结构的数据集,例如图形和歧管,从而导致了几何深度学习的新兴领域。为了提高我们对这个新领域中使用的体系结构的理解,几篇论文提出了对非欧几里得数据结构(如无方向的图形和紧凑的Riemannian歧管)的散射转换的概括。在本文中,我们介绍了一个通用的统一模型,用于测量空间上的几何散射。我们提出的框架包括以前的几何散射作品作为特殊情况,但也适用于更通用的设置,例如有向图,签名图和带边界的歧管。我们提出了一个新标准,该标准可以识别哪些有用表示应该不变的组,并表明该标准足以确保散射变换具有理想的稳定性和不变性属性。此外,我们考虑从随机采样未知歧管获得的有限度量空间。我们提出了两种构造数据驱动图的方法,在该图上相关的图形散射转换近似于基础歧管上的散射变换。此外,我们使用基于扩散图的方法来证明这些近似值之一的收敛速率的定量估计值,因为样品点的数量趋向于无穷大。最后,我们在球形图像,有向图和高维单细胞数据上展示了方法的实用性。
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现有的等分性神经网络需要先前了解对称组和连续组的离散化。我们建议使用Lie代数(无限发电机)而不是谎言群体。我们的模型,Lie代数卷积网络(L-Chir)可以自动发现对称性,并不需要该组的离散化。我们展示L-CONC可以作为构建任何组的建筑块,以构建任何组的馈电架构。CNN和图表卷积网络都可以用适当的组表示为L-DIV。我们发现L-CONC和物理学之间的直接连接:(1)组不变损失概括场理论(2)欧拉拉格朗法令方程测量鲁棒性,(3)稳定性导致保护法和挪威尔特。这些连接开辟了新的途径用于设计更多普遍等级的网络并将其应用于物理科学中的重要问题
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基于简单的扩散层对空间通信非常有效的洞察力,我们对3D表面进行深度学习的新的通用方法。由此产生的网络是自动稳健的,以改变表面的分辨率和样品 - 一种对实际应用至关重要的基本属性。我们的网络可以在各种几何表示上离散化,例如三角网格或点云,甚至可以在一个表示上培训然后应用于另一个表示。我们优化扩散的空间支持,作为连续网络参数,从纯粹的本地到完全全球范围,从而消除手动选择邻域大小的负担。该方法中唯一的其他成分是在每个点处独立地施加的多层的Perceptron,以及用于支持方向滤波器的空间梯度特征。由此产生的网络简单,坚固,高效。这里,我们主要专注于三角网格表面,并且展示了各种任务的最先进的结果,包括表面分类,分割和非刚性对应。
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图表表示学习有许多现实世界应用,从超级分辨率的成像,3D计算机视觉到药物重新扫描,蛋白质分类,社会网络分析。图表数据的足够表示对于图形结构数据的统计或机器学习模型的学习性能至关重要。在本文中,我们提出了一种用于图形数据的新型多尺度表示系统,称为抽取帧的图形数据,其在图表上形成了本地化的紧密框架。抽取的帧系统允许在粗粒链上存储图形数据表示,并在每个比例的多个尺度处处理图形数据,数据存储在子图中。基于此,我们通过建设性数据驱动滤波器组建立用于在多分辨率下分解和重建图数据的抽取G-Framewelet变换。图形帧构建基于基于链的正交基础,支持快速图傅里叶变换。由此,我们为抽取的G-Frameword变换或FGT提供了一种快速算法,该算法具有线性计算复杂度O(n),用于尺寸N的图表。用数值示例验证抽取的帧谱和FGT的理论,用于随机图形。现实世界应用的效果是展示的,包括用于交通网络的多分辨率分析,以及图形分类任务的图形神经网络。
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Convolutional neural networks have been extremely successful in the image recognition domain because they ensure equivariance to translations. There have been many recent attempts to generalize this framework to other domains, including graphs and data lying on manifolds. In this paper we give a rigorous, theoretical treatment of convolution and equivariance in neural networks with respect to not just translations, but the action of any compact group. Our main result is to prove that (given some natural constraints) convolutional structure is not just a sufficient, but also a necessary condition for equivariance to the action of a compact group. Our exposition makes use of concepts from representation theory and noncommutative harmonic analysis and derives new generalized convolution formulae.
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事实证明,与对称性的对称性在深度学习研究中是一种强大的归纳偏见。关于网格处理的最新著作集中在各种天然对称性上,包括翻译,旋转,缩放,节点排列和仪表变换。迄今为止,没有现有的体系结构与所有这些转换都不相同。在本文中,我们提出了一个基于注意力的网格数据的架构,该体系结构与上述所有转换相似。我们的管道依赖于相对切向特征的使用:一种简单,有效,等效性的替代品,可作为输入作为输入。有关浮士德和TOSCA数据集的实验证实,我们提出的架构在这些基准测试中的性能提高了,并且确实是对各种本地/全球转换的均等,因此具有强大的功能。
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群体模棱两可(例如,SE(3)均衡性)是科学的关键物理对称性,从经典和量子物理学到计算生物学。它可以在任意参考转换下实现强大而准确的预测。鉴于此,已经为将这种对称性编码为深神经网络而做出了巨大的努力,该网络已被证明可以提高下游任务的概括性能和数据效率。构建模棱两可的神经网络通常会带来高计算成本以确保表现力。因此,如何更好地折衷表现力和计算效率在模棱两可的深度学习模型的设计中起着核心作用。在本文中,我们提出了一个框架来构建可以有效地近似几何量的se(3)等效图神经网络。受差异几何形状和物理学的启发,我们向图形神经网络介绍了局部完整帧,因此可以将以给定订单的张量信息投射到框架上。构建本地框架以形成正常基础,以避免方向变性并确保完整性。由于框架仅是由跨产品操作构建的,因此我们的方法在计算上是有效的。我们在两个任务上评估我们的方法:牛顿力学建模和平衡分子构象的产生。广泛的实验结果表明,我们的模型在两种类型的数据集中达到了最佳或竞争性能。
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We propose a novel method for constructing wavelet transforms of functions defined on the vertices of an arbitrary finite weighted graph. Our approach is based on defining scaling using the the graph analogue of the Fourier domain, namely the spectral decomposition of the discrete graph Laplacian L. Given a wavelet generating kernel g and a scale parameter t, we define the scaled wavelet operator T t g = g(tL). The spectral graph wavelets are then formed by localizing this operator by applying it to an indicator function. Subject to an admissibility condition on g, this procedure defines an invertible transform. We explore the localization properties of the wavelets in the limit of fine scales. Additionally, we present a fast Chebyshev polynomial approximation algorithm for computing the transform that avoids the need for diagonalizing L. We highlight potential applications of the transform through examples of wavelets on graphs corresponding to a variety of different problem domains.
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Equivariance of neural networks to transformations helps to improve their performance and reduce generalization error in computer vision tasks, as they apply to datasets presenting symmetries (e.g. scalings, rotations, translations). The method of moving frames is classical for deriving operators invariant to the action of a Lie group in a manifold.Recently, a rotation and translation equivariant neural network for image data was proposed based on the moving frames approach. In this paper we significantly improve that approach by reducing the computation of moving frames to only one, at the input stage, instead of repeated computations at each layer. The equivariance of the resulting architecture is proved theoretically and we build a rotation and translation equivariant neural network to process volumes, i.e. signals on the 3D space. Our trained model overperforms the benchmarks in the medical volume classification of most of the tested datasets from MedMNIST3D.
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包括协调性信息,例如位置,力,速度或旋转在计算物理和化学中的许多任务中是重要的。我们介绍了概括了等级图形网络的可控e(3)的等值图形神经网络(Segnns),使得节点和边缘属性不限于不变的标量,而是可以包含相协同信息,例如矢量或张量。该模型由可操纵的MLP组成,能够在消息和更新功能中包含几何和物理信息。通过可操纵节点属性的定义,MLP提供了一种新的Activation函数,以便与可转向功能字段一般使用。我们讨论我们的镜头通过等级的非线性卷曲镜头讨论我们的相关工作,进一步允许我们引脚点点的成功组件:非线性消息聚集在经典线性(可操纵)点卷积上改善;可操纵的消息在最近发送不变性消息的最近的等价图形网络上。我们展示了我们对计算物理学和化学的若干任务的方法的有效性,并提供了广泛的消融研究。
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In this work, we are interested in generalizing convolutional neural networks (CNNs) from low-dimensional regular grids, where image, video and speech are represented, to high-dimensional irregular domains, such as social networks, brain connectomes or words' embedding, represented by graphs. We present a formulation of CNNs in the context of spectral graph theory, which provides the necessary mathematical background and efficient numerical schemes to design fast localized convolutional filters on graphs. Importantly, the proposed technique offers the same linear computational complexity and constant learning complexity as classical CNNs, while being universal to any graph structure. Experiments on MNIST and 20NEWS demonstrate the ability of this novel deep learning system to learn local, stationary, and compositional features on graphs.
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在本文中,我们介绍了复杂的功能映射,它将功能映射框架扩展到表面上切线矢量字段之间的共形图。这些地图的一个关键属性是他们的方向意识。更具体地说,我们证明,与连锁两个歧管的功能空间的常规功能映射不同,我们的复杂功能图在面向的切片束之间建立了一个链路,从而允许切线矢量场的稳健和有效地传输。通过首先赋予和利用复杂的结构利用各个形状的切线束,所得到的操作变得自然导向,从而有利于横跨形状保持对应的取向和角度,而不依赖于描述符或额外的正则化。最后,也许更重要的是,我们演示了这些对象如何在功能映射框架内启动几个实际应用。我们表明功能映射及其复杂的对应物可以共同估算,以促进定向保存,规范的管道,前面遭受取向反转对称误差的误差。
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高斯过程可以说是空间统计中最重要的模型类别。他们编码有关建模功能的先前信息,可用于精确或近似贝叶斯推断。在许多应用中,尤其是在物理科学和工程中,以及在诸如地统计和神经科学等领域,对对称性的不变性是人们可以考虑的先前信息的最基本形式之一。高斯工艺与这种对称性的协方差的不变性导致了对此类空间平稳性概念的最自然概括。在这项工作中,我们开发了建设性和实用的技术,用于在在对称的背景下产生的一大批非欧基人空间上构建固定的高斯工艺。我们的技术使(i)以实用的方式计算(i)计算在此类空间上定义的先验和后高斯过程中的协方差内核和(ii)。这项工作分为两部分,每个部分涉及不同的技术考虑:第一部分研究紧凑的空间,而第二部分研究的非紧密空间具有某些结构。我们的贡献使我们研究的非欧亚人高斯流程模型与标准高斯流程软件包中可用的良好计算技术兼容,从而使从业者可以访问它们。
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We introduce Group equivariant Convolutional Neural Networks (G-CNNs), a natural generalization of convolutional neural networks that reduces sample complexity by exploiting symmetries. G-CNNs use G-convolutions, a new type of layer that enjoys a substantially higher degree of weight sharing than regular convolution layers. G-convolutions increase the expressive capacity of the network without increasing the number of parameters. Group convolution layers are easy to use and can be implemented with negligible computational overhead for discrete groups generated by translations, reflections and rotations. G-CNNs achieve state of the art results on CI-FAR10 and rotated MNIST.
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标准情况被出现为对构成组的身份保留转换的物体表示的理想性质,例如翻译和旋转。然而,由组标准规定的表示的表示的表现仍然不完全理解。我们通过提供封面函数计数定理的概括来解决这个差距,这些定理量化了可以分配给物体的等异点的线性可分离和组不变二进制二分层的数量。我们发现可分离二分法的分数由由组动作固定的空间的尺寸决定。我们展示了该关系如何扩展到卷积,元素 - 明智的非线性和全局和本地汇集等操作。虽然其他操作不会改变可分离二分法的分数,但尽管是高度非线性操作,但是局部汇集减少了分数。最后,我们在随机初始化和全培训的卷积神经网络的中间代表中测试了我们的理论,并找到了完美的协议。
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