Symmetries (transformations by group actions) are present in many datasets, and leveraging them holds significant promise for improving predictions in machine learning. In this work, we aim to understand when and how deep networks can learn symmetries from data. We focus on a supervised classification paradigm where data symmetries are only partially observed during training: some classes include all transformations of a cyclic group, while others include only a subset. We ask: can deep networks generalize symmetry invariance to the partially sampled classes? In the infinite-width limit, where kernel analogies apply, we derive a neural kernel theory of symmetry learning to address this question. The group-cyclic nature of the dataset allows us to analyze the spectrum of neural kernels in the Fourier domain; here we find a simple characterization of the generalization error as a function of the interaction between class separation (signal) and class-orbit density (noise). We observe that generalization can only be successful when the local structure of the data prevails over its non-local, symmetric, structure, in the kernel space defined by the architecture. This occurs when (1) classes are sufficiently distinct and (2) class orbits are sufficiently dense. Our framework also applies to equivariant architectures (e.g., CNNs), and recovers their success in the special case where the architecture matches the inherent symmetry of the data. Empirically, our theory reproduces the generalization failure of finite-width networks (MLP, CNN, ViT) trained on partially observed versions of rotated-MNIST. We conclude that conventional networks trained with supervision lack a mechanism to learn symmetries that have not been explicitly embedded in their architecture a priori. Our framework could be extended to guide the design of architectures and training procedures able to learn symmetries from data.
Normalizing flow-based generative models have been widely used in applications where the exact density estimation is of major importance. Recent research proposes numerous methods to improve their expressivity. However, conditioning on a context is largely overlooked area in the bijective flow research. Conventional conditioning with the vector concatenation is limited to only a few flow types. More importantly, this approach cannot support a practical setup where a set of context-conditioned (specialist) models are trained with the fixed pretrained general-knowledge (generalist) model. We propose ContextFlow++ approach to overcome these limitations using an additive conditioning with explicit generalist-specialist knowledge decoupling. Furthermore, we support discrete contexts by the proposed mixed-variable architecture with context encoders. Particularly, our context encoder for discrete variables is a surjective flow from which the context-conditioned continuous variables are sampled. Our experiments on rotated MNIST-R, corrupted CIFAR-10C, real-world ATM predictive maintenance and SMAP unsupervised anomaly detection benchmarks show that the proposed ContextFlow++ offers faster stable training and achieves higher performance metrics. Our code is publicly available at https://github.com/gudovskiy/contextflow.
Biological neural networks are capable of recruiting different sets of neurons to encode different memories. However, when training artificial neural networks on a set of tasks, typically, no mechanism is employed for selectively producing anything analogous to these neuronal ensembles. Further, artificial neural networks suffer from catastrophic forgetting, where the network's performance rapidly deteriorates as tasks are learned sequentially. By contrast, sequential learning is possible for a range of biological organisms. We introduce Learned Context Dependent Gating (LXDG), a method to flexibly allocate and recall `artificial neuronal ensembles', using a particular network structure and a new set of regularization terms. Activities in the hidden layers of the network are modulated by gates, which are dynamically produced during training. The gates are outputs of networks themselves, trained with a sigmoid output activation. The regularization terms we have introduced correspond to properties exhibited by biological neuronal ensembles. The first term penalizes low gate sparsity, ensuring that only a specified fraction of the network is used. The second term ensures that previously learned gates are recalled when the network is presented with input from previously learned tasks. Finally, there is a regularization term responsible for ensuring that new tasks are encoded in gates that are as orthogonal as possible from previously used ones. We demonstrate the ability of this method to alleviate catastrophic forgetting on continual learning benchmarks. When the new regularization terms are included in the model along with Elastic Weight Consolidation (EWC) it achieves better performance on the benchmark `permuted MNIST' than with EWC alone. The benchmark `rotated MNIST' demonstrates how similar tasks recruit similar neurons to the artificial neuronal ensemble.
Deep neural networks lack straightforward ways to incorporate domain knowledge and are notoriously considered black boxes. Prior works attempted to inject domain knowledge into architectures implicitly through data augmentation. Building on recent advances on equivariant neural networks, we propose networks that explicitly encode domain knowledge, specifically equivariance with respect to rotations. By using unfolded architectures, a rich framework that originated from sparse coding and has theoretical guarantees, we present interpretable networks with sparse activations. The equivariant unfolded networks compete favorably with baselines, with only a fraction of their parameters, as showcased on (rotated) MNIST and CIFAR-10.
The convolutional layers of standard convolutional neural networks (CNNs) are equivariant to translation. However, the convolution and fully-connected layers are not equivariant or invariant to other affine geometric transformations. Recently, a new class of CNNs is proposed in which the conventional layers of CNNs are replaced with equivariant convolution, pooling, and batch-normalization layers. The final classification layer in equivariant neural networks is invariant to different affine geometric transformations such as rotation, reflection and translation, and the scalar value is obtained by either eliminating the spatial dimensions of filter responses using convolution and down-sampling throughout the network or average is taken over the filter responses. In this work, we propose to integrate the orthogonal moments which gives the high-order statistics of the function as an effective means for encoding global invariance with respect to rotation, reflection and translation in fully-connected layers. As a result, the intermediate layers of the network become equivariant while the classification layer becomes invariant. The most widely used Zernike, pseudo-Zernike and orthogonal Fourier-Mellin moments are considered for this purpose. The effectiveness of the proposed work is evaluated by integrating the invariant transition and fully-connected layer in the architecture of group-equivariant CNNs (G-CNNs) on rotated MNIST and CIFAR10 datasets.
Group convolutional neural networks (G-CNNs) have been shown to increase parameter efficiency and model accuracy by incorporating geometric inductive biases. In this work, we investigate the properties of representations learned by regular G-CNNs, and show considerable parameter redundancy in group convolution kernels. This finding motivates further weight-tying by sharing convolution kernels over subgroups. To this end, we introduce convolution kernels that are separable over the subgroup and channel dimensions. In order to obtain equivariance to arbitrary affine Lie groups we provide a continuous parameterisation of separable convolution kernels. We evaluate our approach across several vision datasets, and show that our weight sharing leads to improved performance and computational efficiency. In many settings, separable G-CNNs outperform their non-separable counterpart, while only using a fraction of their training time. In addition, thanks to the increase in computational efficiency, we are able to implement G-CNNs equivariant to the $\mathrm{Sim(2)}$ group; the group of dilations, rotations and translations. $\mathrm{Sim(2)}$-equivariance further improves performance on all tasks considered.
Group Convolutional Neural Networks (G-CNNs) constrain learned features to respect the symmetries in the selected group, and lead to better generalization when these symmetries appear in the data. If this is not the case, however, equivariance leads to overly constrained models and worse performance. Frequently, transformations occurring in data can be better represented by a subset of a group than by a group as a whole, e.g., rotations in $[-90^{\circ}, 90^{\circ}]$. In such cases, a model that respects equivariance $\textit{partially}$ is better suited to represent the data. In addition, relevant transformations may differ for low and high-level features. For instance, full rotation equivariance is useful to describe edge orientations in a face, but partial rotation equivariance is better suited to describe face poses relative to the camera. In other words, the optimal level of equivariance may differ per layer. In this work, we introduce $\textit{Partial G-CNNs}$: G-CNNs able to learn layer-wise levels of partial and full equivariance to discrete, continuous groups and combinations thereof as part of training. Partial G-CNNs retain full equivariance when beneficial, e.g., for rotated MNIST, but adjust it whenever it becomes harmful, e.g., for classification of 6 / 9 digits or natural images. We empirically show that partial G-CNNs pair G-CNNs when full equivariance is advantageous, and outperform them otherwise.
Deep Convolutional Neural Networks (CNNs) are empirically known to be invariant to moderate translation but not to rotation in image classification. This paper proposes a deep CNN model, called CyCNN, which exploits polar mapping of input images to convert rotation to translation. To deal with the cylindrical property of the polar coordinates, we replace convolution layers in conventional CNNs to cylindrical convolutional (CyConv) layers. A CyConv layer exploits the cylindrically sliding windows (CSW) mechanism that vertically extends the input-image receptive fields of boundary units in a convolutional layer. We evaluate CyCNN and conventional CNN models for classification tasks on rotated MNIST, CIFAR-10, and SVHN datasets. We show that if there is no data augmentation during training, CyCNN significantly improves classification accuracies when compared to conventional CNN models. Our implementation of CyCNN is publicly available on https://github.com/mcrl/CyCNN.
Recent research has shown that incorporating equivariance into neural network architectures is very helpful, and there have been some works investigating the equivariance of networks under group actions. However, as digital images and feature maps are on the discrete meshgrid, corresponding equivariance-preserving transformation groups are very limited. In this work, we deal with this issue from the connection between convolutions and partial differential operators (PDOs). In theory, assuming inputs to be smooth, we transform PDOs and propose a system which is equivariant to a much more general continuous group, the $n$-dimension Euclidean group. In implementation, we discretize the system using the numerical schemes of PDOs, deriving approximately equivariant convolutions (PDO-eConvs). Theoretically, the approximation error of PDO-eConvs is of the quadratic order. It is the first time that the error analysis is provided when the equivariance is approximate. Extensive experiments on rotated MNIST and natural image classification show that PDO-eConvs perform competitively yet use parameters much more efficiently. Particularly, compared with Wide ResNets, our methods result in better results using only 12.6% parameters.
In the domain generalization literature, a common objective is to learn representations independent of the domain after conditioning on the class label. We show that this objective is not sufficient: there exist counter-examples where a model fails to generalize to unseen domains even after satisfying class-conditional domain invariance. We formalize this observation through a structural causal model and show the importance of modeling within-class variations for generalization. Specifically, classes contain objects that characterize specific causal features, and domains can be interpreted as interventions on these objects that change non-causal features. We highlight an alternative condition: inputs across domains should have the same representation if they are derived from the same object. Based on this objective, we propose matching-based algorithms when base objects are observed (e.g., through data augmentation) and approximate the objective when objects are not observed (MatchDG). Our simple matching-based algorithms are competitive to prior work on out-of-domain accuracy for rotated MNIST, Fashion-MNIST, PACS, and Chest-Xray datasets. Our method MatchDG also recovers ground-truth object matches: on MNIST and Fashion-MNIST, top-10 matches from MatchDG have over 50% overlap with ground-truth matches.
Domain generalization refers to the task of training a model which generalizes to new domains that are not seen during training. We present CSD (Common Specific Decomposition), for this setting,which jointly learns a common component (which generalizes to new domains) and a domain specific component (which overfits on training domains). The domain specific components are discarded after training and only the common component is retained. The algorithm is extremely simple and involves only modifying the final linear classification layer of any given neural network architecture. We present a principled analysis to understand existing approaches, provide identifiability results of CSD,and study effect of low-rank on domain generalization. We show that CSD either matches or beats state of the art approaches for domain generalization based on domain erasure, domain perturbed data augmentation, and meta-learning. Further diagnostics on rotated MNIST, where domains are interpretable, confirm the hypothesis that CSD successfully disentangles common and domain specific components and hence leads to better domain generalization.
We consider the problem of domain generalization, namely, how to learn representations given data from a set of domains that generalize to data from a previously unseen domain. We propose the Domain Invariant Variational Autoencoder (DIVA), a generative model that tackles this problem by learning three independent latent subspaces, one for the domain, one for the class, and one for any residual variations. We highlight that due to the generative nature of our model we can also incorporate unlabeled data from known or previously unseen domains. To the best of our knowledge this has not been done before in a domain generalization setting. This property is highly desirable in fields like medical imaging where labeled data is scarce. We experimentally evaluate our model on the rotated MNIST benchmark and a malaria cell images dataset where we show that (i) the learned subspaces are indeed complementary to each other, (ii) we improve upon recent works on this task and (iii) incorporating unlabelled data can boost the performance even further.
Convolutional neural networks (CNNs) are inherently equivariant to translation. Efforts to embed other forms of equivariance have concentrated solely on rotation. We expand the notion of equivariance in CNNs through the Polar Transformer Network (PTN). PTN combines ideas from the Spatial Transformer Network (STN) and canonical coordinate representations. The result is a network invariant to translation and equivariant to both rotation and scale. PTN is trained end-to-end and composed of three distinct stages: a polar origin predictor, the newly introduced polar transformer module and a classifier. PTN achieves state-of-the-art on rotated MNIST and the newly introduced SIM2MNIST dataset, an MNIST variation obtained by adding clutter and perturbing digits with translation, rotation and scaling. The ideas of PTN are extensible to 3D which we demonstrate through the Cylindrical Transformer Network.
Recently, learning equivariant representations has attracted considerable research attention. Dieleman et al. introduce four operations which can be inserted into convolutional neural network to learn deep representations equivariant to rotation. However, feature maps should be copied and rotated four times in each layer in their approach, which causes much running time and memory overhead. In order to address this problem, we propose Deep Rotation Equivariant Network consisting of cycle layers, isotonic layers and decycle layers. Our proposed layers apply rotation transformation on filters rather than feature maps, achieving a speed up of more than 2 times with even less memory overhead. We evaluate DRENs on Rotated MNIST and CIFAR-10 datasets and demonstrate that it can improve the performance of state-of-the-art architectures.
In this paper, we propose a novel technique for generating images in the 3D domain from images with high degree of geometrical transformations. By coalescing two popular concurrent methods that have seen rapid ascension to the machine learning zeitgeist in recent years: GANs (Goodfellow et. al.) and Capsule networks (Sabour, Hinton et. al.) - we present: \textbf{CapsGAN}. We show that CapsGAN performs better than or equal to traditional CNN based GANs in generating images with high geometric transformations using rotated MNIST. In the process, we also show the efficacy of using capsules architecture in the GANs domain. Furthermore, we tackle the Gordian Knot in training GANs - the performance control and training stability by experimenting with using Wasserstein distance (gradient clipping, penalty) and Spectral Normalization. The experimental findings of this paper should propel the application of capsules and GANs in the still exciting and nascent domain of 3D image generation, and plausibly video (frame) generation.