The translation equivariance of convolutional layers enables convolutional neural networks to generalize well on image problems. While translation equivariance provides a powerful inductive bias for images, we often additionally desire equivariance to other transformations, such as rotations, especially for non-image data. We propose a general method to construct a convolutional layer that is equivariant to transformations from any specified Lie group with a surjective exponential map. Incorporating equivariance to a new group requires implementing only the group exponential and logarithm maps, enabling rapid prototyping. Showcasing the simplicity and generality of our method, we apply the same model architecture to images, ball-and-stick molecular data, and Hamiltonian dynamical systems. For Hamiltonian systems, the equivariance of our models is especially impactful, leading to exact conservation of linear and angular momentum.
Carnegie Mellon University（卡内基梅隆大学）；University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）
Performance of neural networks can be significantly improved by encoding known invariance for particular tasks. Many image classification tasks, such as those related to cellular imaging, exhibit invariance to rotation. We present a novel scheme using the magnitude response of the 2D-discrete-Fourier transform (2D-DFT) to encode rotational invariance in neural networks, along with a new, efficient convolutional scheme for encoding rotational equivariance throughout convolutional layers. We implemented this scheme for several image classification tasks and demonstrated improved performance, in …
The University of Chicago（芝加哥大学）；Toyota Technological Institute at Chicago（芝加哥丰田技术研究院）
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 conditi…
University of Cambridge（剑桥大学）；Invenia Labs（因维尼亚实验室）；Microsoft Research（微软研究院）
We introduce the Convolutional Conditional Neural Process (ConvCNP), a new member of the Neural Process family that models translation equivariance in the data. Translation equivariance is an important inductive bias for many learning problems including time series modelling, spatial data, and images. The model embeds data sets into an infinite-dimensional function space as opposed to a finite-dimensional vector space. To formalize this notion, we extend the theory of neural representations of sets to include functional representations, and demonstrate that any translation-equivariant embeddin…
The University of Tokyo（东京大学）；RIKEN AIP（理化学研究所人工智能项目中心）
We present the group equivariant conditional neural process (EquivCNP), a meta-learning method with permutation invariance in a data set as in conventional conditional neural processes (CNPs), and it also has transformation equivariance in data space. Incorporating group equivariance, such as rotation and scaling equivariance, provides a way to consider the symmetry of real-world data. We give a decomposition theorem for permutation-invariant and group-equivariant maps, which leads us to construct EquivCNPs with an infinite-dimensional latent space to handle group symmetries. In this paper, we…
University of Cambridge（剑桥大学）；Invenia Labs（Invenia实验室）；Microsoft Research（微软研究院）
Stationary stochastic processes (SPs) are a key component of many probabilistic models, such as those for off-the-grid spatio-temporal data. They enable the statistical symmetry of underlying physical phenomena to be leveraged, thereby aiding generalization. Prediction in such models can be viewed as a translation equivariant map from observed data sets to predictive SPs, emphasizing the intimate relationship between stationarity and equivariance. Building on this, we propose the Convolutional Neural Process (ConvNP), which endows Neural Processes (NPs) with translation equivariance and extend…
AMLAB, Philips Lab（飞利浦实验室 AMLAB）；University of Amsterdam（阿姆斯特丹大学）
We introduce deep scale-spaces (DSS), a generalization of convolutional neural networks, exploiting the scale symmetry structure of conventional image recognition tasks. Put plainly, the class of an image is invariant to the scale at which it is viewed. We construct scale equivariant cross-correlations based on a principled extension of convolutions, grounded in the theory of scale-spaces and semigroups. As a very basic operation, these cross-correlations can be used in almost any modern deep learning architecture in a plug-and-play manner. We demonstrate our networks on the Patch Camelyon and…
Translating or rotating an input image should not affect the results of many computer vision tasks. Convolutional neural networks (CNNs) are already translation equivariant: input image translations produce proportionate feature map translations. This is not the case for rotations. Global rotation equivariance is typically sought through data augmentation, but patch-wise equivariance is more difficult. We present Harmonic Networks or H-Nets, a CNN exhibiting equivariance to patch-wise translation and 360-rotation. We achieve this by replacing regular CNN filters with circular harmonics, return…
Explicit encoding of group actions in deep features makes it possible for convolutional neural networks (CNNs) to handle global deformations of images, which is critical to success in many vision tasks. This paper proposes to decompose the convolutional filters over joint steerable bases across the space and the group geometry simultaneously, namely a rotation-equivariant CNN with decomposed convolutional filters (RotDCF). This decomposition facilitates computing the joint convolution, which is proved to be necessary for the group equivariance. It significantly reduces the model size and compu…
Computer Science Department, University College London（伦敦大学学院计算机科学系）
3D Convolutional Neural Networks are sensitive to transformations applied to their input. This is a problem because a voxelized version of a 3D object, and its rotated clone, will look unrelated to each other after passing through to the last layer of a network. Instead, an idealized model would preserve a meaningful representation of the voxelized object, while explaining the pose-difference between the two inputs. An equivariant representation vector has two components: the invariant identity part, and a discernable encoding of the transformation. Models that can't explain pose-differences r…
UvA-Bosch Delta Lab（阿姆斯特丹大学-博世德尔塔实验室）；University of Amsterdam（阿姆斯特丹大学）
The effectiveness of Convolutional Neural Networks (CNNs) has been substantially attributed to their built-in property of translation equivariance. However, CNNs do not have embedded mechanisms to handle other types of transformations. In this work, we pay attention to scale changes, which regularly appear in various tasks due to the changing distances between the objects and the camera. First, we introduce the general theory for building scale-equivariant convolutional networks with steerable filters. We develop scale-convolution and generalize other common blocks to be scale-equivariant. We …
This paper reviews graph convolutional neural networks (GCNNs) through the lens of edge-variant graph filters. The edge-variant graph filter is a finite order, linear, and local recursion that allows each node, in each iteration, to weigh differently the information of its neighbors. By exploiting this recursion, we formulate a general framework for GCNNs which considers state-of-the-art solutions as particular cases. This framework results useful to i) understand the tradeoff between local detail and the number of parameters of each solution and ii) provide guidelines for developing a myriad …
Chalmers University of Technology（查尔姆斯理工大学）；TU Wien（维也纳工业大学）
Lattice gauge equivariant convolutional neural networks (L-CNNs) are a framework for convolutional neural networks that can be applied to non-Abelian lattice gauge theories without violating gauge symmetry. We demonstrate how L-CNNs can be equipped with global group equivariance. This allows us to extend the formulation to be equivariant not just under translations but under global lattice symmetries such as rotations and reflections. Additionally, we provide a geometric formulation of L-CNNs and show how convolutions in L-CNNs arise as a special case of gauge equivariant neural networks on SU…
Korteweg-de Vries Institute for Mathematics, University of Amsterdam（阿姆斯特丹大学科特韦格-德弗里斯数学研究所）；Institute of Physics, University of Amsterdam（阿姆斯特丹大学物理研究所）；CNRS（法国国家科学研究中心）；Qualcomm-University of Amsterdam (QUVA) Lab（高通-阿姆斯特丹大学（QUVA）实验室）；Qualcomm AI Research（高通人工智能研究院）
In this proceeding we give an overview of the idea of covariance (or equivariance) featured in the recent development of convolutional neural networks (CNNs). We study the similarities and differences between the use of covariance in theoretical physics and in the CNN context. Additionally, we demonstrate that the simple assumption of covariance, together with the required properties of locality, linearity and weight sharing, is sufficient to uniquely determine the form of the convolution.
KAIST（韩国科学技术院）；Center for Cell-Encapsulation Research（细胞封装研究中心）
We present a three-dimensional graph convolutional network (3DGCN), which predicts molecular properties and biochemical activities, based on 3D molecular graph. In the 3DGCN, graph convolution is unified with learning operations on the vector to handle the spatial information from molecular topology. The 3DGCN model exhibits significantly higher performance on various tasks compared with other deep-learning models, and has the ability of generalizing a given conformer to targeted features regardless of its rotations in the 3D space. More significantly, our model also can distinguish the 3D rot…
Department of Mathematics and Statistics, University of Massachusetts Amherst（马萨诸塞大学阿默斯特分校数学与统计系）；Department of Electrical and Computer Engineering, Purdue University（普渡大学电气与计算机工程系）；Department of Mathematics, Duke University（杜克大学数学系）；Department of Electrical and Computer Engineering, Duke University（杜克大学电气与计算机工程系）
Encoding the scale information explicitly into the representation learned by a convolutional neural network (CNN) is beneficial for many computer vision tasks especially when dealing with multiscale inputs. We study, in this paper, a scaling-translation-equivariant (ST-equivariant) CNN with joint convolutions across the space and the scaling group, which is shown to be both sufficient and necessary to achieve equivariance for the regular representation of the scaling-translation group ST . To reduce the model complexity and computational burden, we decompose the convolutional filters under two…
We seek to improve deep neural networks by generalizing the pooling operations that play a central role in current architectures. We pursue a careful exploration of approaches to allow pooling to learn and to adapt to complex and variable patterns. The two primary directions lie in (1) learning a pooling function via (two strategies of) combining of max and average pooling, and (2) learning a pooling function in the form of a tree-structured fusion of pooling filters that are themselves learned. In our experiments every generalized pooling operation we explore improves performance when used in…
We propose Lattice gauge equivariant Convolutional Neural Networks (L-CNNs) for generic machine learning applications on lattice gauge theoretical problems. At the heart of this network structure is a novel convolutional layer that preserves gauge equivariance while forming arbitrarily shaped Wilson loops in successive bilinear layers. Together with topological information, for example from Polyakov loops, such a network can in principle approximate any gauge covariant function on the lattice. We demonstrate that L-CNNs can learn and generalize gauge invariant quantities that traditional convo…
Graph Neural Networks (GNNs) are information processing architectures for signals supported on graphs. They are presented here as generalizations of convolutional neural networks (CNNs) in which individual layers contain banks of graph convolutional filters instead of banks of classical convolutional filters. Otherwise, GNNs operate as CNNs. Filters are composed with pointwise nonlinearities and stacked in layers. It is shown that GNN architectures exhibit equivariance to permutation and stability to graph deformations. These properties help explain the good performance of GNNs that can be obs…
University of Amsterdam（阿姆斯特丹大学）；Canadian Institute for Advanced Research（加拿大高等研究院）
It has long been recognized that the invariance and equivariance properties of a representation are critically important for success in many vision tasks. In this paper we present Steerable Convolutional Neural Networks, an efficient and flexible class of equivariant convolutional networks. We show that steerable CNNs achieve state of the art results on the CIFAR image classification benchmark. The mathematical theory of steerable representations reveals a type system in which any steerable representation is a composition of elementary feature types, each one associated with a particular kind …
Centre for Analysis and Scientific Computing（分析与科学计算中心）；Department of Applied Mathematics and Computer Science（应用数学与计算机科学系）；Eindhoven University of Technology（埃因霍温理工大学）
Group convolutional neural networks (G-CNNs) can be used to improve classical CNNs by equipping them with the geometric structure of groups. Central in the success of G-CNNs is the lifting of feature maps to higher dimensional disentangled representations, in which data characteristics are effectively learned, geometric data-augmentations are made obsolete, and predictable behavior under geometric transformations (equivariance) is guaranteed via group theory. Currently, however, the practical implementations of G-CNNs are limited to either discrete groups (that leave the grid intact) or contin…
Convolutional networks are successful due to their equivariance/invariance under translations. However, rotatable data such as images, volumes, shapes, or point clouds require processing with equivariance/invariance under rotations in cases where the rotational orientation of the coordinate system does not affect the meaning of the data (e.g. object classification). On the other hand, estimation/processing of rotations is necessary in cases where rotations are important (e.g. motion estimation). There has been recent progress in methods and theory in all these regards. Here we provide an overv…
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 c…
Eindhoven University of Technology（埃因霍温理工大学）；University of Amsterdam（阿姆斯特丹大学）
We present a PDE-based framework that generalizes Group equivariant Convolutional Neural Networks (G-CNNs). In this framework, a network layer is seen as a set of PDE-solvers where geometrically meaningful PDE-coefficients become the layer's trainable weights. Formulating our PDEs on homogeneous spaces allows these networks to be designed with built-in symmetries such as rotation in addition to the standard translation equivariance of CNNs. Having all the desired symmetries included in the design obviates the need to include them by means of costly techniques such as data augmentation. We will…
We explain equivariant neural networks, a notion underlying breakthroughs in machine learning from deep convolutional neural networks for computer vision to AlphaFold 2 for protein structure prediction, without assuming knowledge of equivariance or neural networks. The basic mathematical ideas are simple but are often obscured by engineering complications that come with practical realizations. We extract and focus on the mathematical aspects, and limit ourselves to a cursory treatment of the engineering issues at the end.
The University of Tokyo（东京大学）；RIKEN AIP（理化学研究所人工智能研究中心）
Group symmetry is inherent in a wide variety of data distributions. Data processing that preserves symmetry is described as an equivariant map and often effective in achieving high performance. Convolutional neural networks (CNNs) have been known as models with equivariance and shown to approximate equivariant maps for some specific groups. However, universal approximation theorems for CNNs have been separately derived with individual techniques according to each group and setting. This paper provides a unified method to obtain universal approximation theorems for equivariant maps by CNNs in v…
We introduce ChebLieNet, a group-equivariant method on (anisotropic) manifolds. Surfing on the success of graph- and group-based neural networks, we take advantage of the recent developments in the geometric deep learning field to derive a new approach to exploit any anisotropies in data. Via discrete approximations of Lie groups, we develop a graph neural network made of anisotropic convolutional layers (Chebyshev convolutions), spatial pooling and unpooling layers, and global pooling layers. Group equivariance is achieved via equivariant and invariant operators on graphs with anisotropic lef…
Assumptions about invariances or symmetries in data can significantly increase the predictive power of statistical models. Many commonly used models in machine learning are constraint to respect certain symmetries in the data, such as translation equivariance in convolutional neural networks, and incorporation of new symmetry types is actively being studied. Yet, efforts to learn such invariances from the data itself remains an open research problem. It has been shown that marginal likelihood offers a principled way to learn invariances in Gaussian Processes. We propose a weight-space equivale…
Qualcomm AI Research（高通人工智能研究院）；University of Amsterdam（阿姆斯特丹大学）
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…
Futurewei Seattle Cloud Lab（未来伟西雅图云实验室）；University of Central Florida（中佛罗里达大学）；Purdue University（普渡大学）
Transformation Equivariant Representations (TERs) aim to capture the intrinsic visual structures that equivary to various transformations by expanding the notion of {\em translation} equivariance underlying the success of Convolutional Neural Networks (CNNs). For this purpose, we present both deterministic AutoEncoding Transformations (AET) and probabilistic AutoEncoding Variational Transformations (AVT) models to learn visual representations from generic groups of transformations. While the AET is trained by directly decoding the transformations from the learned representations, the AVT is tr…
We review a novel neural network architecture called lattice gauge equivariant convolutional neural networks (L-CNNs), which can be applied to generic machine learning problems in lattice gauge theory while exactly preserving gauge symmetry. We discuss the concept of gauge equivariance which we use to explicitly construct a gauge equivariant convolutional layer and a bilinear layer. The performance of L-CNNs and non-equivariant CNNs is compared using seemingly simple non-linear regression tasks, where L-CNNs demonstrate generalizability and achieve a high degree of accuracy in their prediction…
John A. Paulson School of Engineering and Applied Sciences（约翰·A·保尔森工程与应用科学学院）；Center for Brain Science（脑科学中心）；Harvard University（哈佛大学）；Massachusetts Institute of Technology（麻省理工学院）
Equivariance has emerged as a desirable property of representations of objects subject to identity-preserving transformations that constitute a group, such as translations and rotations. However, the expressivity of a representation constrained by group equivariance is still not fully understood. We address this gap by providing a generalization of Cover's Function Counting Theorem that quantifies the number of linearly separable and group-invariant binary dichotomies that can be assigned to equivariant representations of objects. We find that the fraction of separable dichotomies is determine…
UvA-Bosch Delta Lab（阿姆斯特丹大学-博世德尔塔实验室）；University of Amsterdam（阿姆斯特丹大学）；Vrije Universiteit Amsterdam（阿姆斯特丹自由大学）
This paper introduces a new method to build linear flows, by taking the exponential of a linear transformation. This linear transformation does not need to be invertible itself, and the exponential has the following desirable properties: it is guaranteed to be invertible, its inverse is straightforward to compute and the log Jacobian determinant is equal to the trace of the linear transformation. An important insight is that the exponential can be computed implicitly, which allows the use of convolutional layers. Using this insight, we develop new invertible transformations named convolution e…
Wide neural networks have proven to be a rich class of architectures for both theory and practice. Motivated by the observation that finite width convolutional networks appear to outperform infinite width networks, we study scaling laws for wide CNNs and networks with skip connections. Following the approach of (Dyer & Gur-Ari, 2019), we present a simple diagrammatic recipe to derive the asymptotic width dependence for many quantities of interest. These scaling relationships provide a solvable description for the training dynamics of wide convolutional networks. We test these relations across …
University of Amsterdam（阿姆斯特丹大学）；Qualcomm AI Research（高通人工智能研究院）
Motivated by the vast success of deep convolutional networks, there is a great interest in generalizing convolutions to non-Euclidean manifolds. A major complication in comparison to flat spaces is that it is unclear in which alignment a convolution kernel should be applied on a manifold. The underlying reason for this ambiguity is that general manifolds do not come with a canonical choice of reference frames (gauge). Kernels and features therefore have to be expressed relative to arbitrary coordinates. We argue that the particular choice of coordinatization should not affect a network's infer…
Google Brain（谷歌大脑）；Microsoft Research AI（微软人工智能研究院）；University of Cambridge（剑桥大学）
There is a previously identified equivalence between wide fully connected neural networks (FCNs) and Gaussian processes (GPs). This equivalence enables, for instance, test set predictions that would have resulted from a fully Bayesian, infinitely wide trained FCN to be computed without ever instantiating the FCN, but by instead evaluating the corresponding GP. In this work, we derive an analogous equivalence for multi-layer convolutional neural networks (CNNs) both with and without pooling layers, and achieve state of the art results on CIFAR10 for GPs without trainable kernels. We also introd…
