In this work we investigate how to achieve equivariance to input transformations in deep networks, purely from data, without being given a model of those transformations. Convolutional Neural Networks (CNNs), for example, are equivariant to image translation, a transformation that can be easily modelled (by shifting the pixels vertically or horizontally). Other transformations, such as out-of-plane rotations, do not admit a simple analytic model. We propose an auto-encoder architecture whose embedding obeys an arbitrary set of equivariance relations simultaneously, such as translation, rotation, colour changes, and many others. This means that it can take an input image, and produce versions transformed by a given amount that were not observed before (e.g. a different point of view of the same object, or a colour variation). Despite extending to many (even non-geometric) transformations, our model reduces exactly to a CNN in the special case of translation-equivariance. Equivariances are important for the interpretability and robustness of deep networks, and we demonstrate results of successful re-rendering of transformed versions of input images on several synthetic and real datasets, as well as results on object pose estimation.
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Recent self-supervised methods for image representation learning are based on maximizing the agreement between embedding vectors from different views of the same image. A trivial solution is obtained when the encoder outputs constant vectors. This collapse problem is often avoided through implicit biases in the learning architecture, that often lack a clear justification or interpretation. In this paper, we introduce VICReg (Variance-Invariance-Covariance Regularization), a method that explicitly avoids the collapse problem with a simple regularization term on the variance of the embeddings along each dimension individually. VICReg combines the variance term with a decorrelation mechanism based on redundancy reduction and covariance regularization, and achieves results on par with the state of the art on several downstream tasks. In addition, we show that incorporating our new variance term into other methods helps stabilize the training and leads to performance improvements.
Tractably modelling distributions over manifolds has long been an important goal in the natural sciences. Recent work has focused on developing general machine learning models to learn such distributions. However, for many applications these distributions must respect manifold symmetries -- a trait which most previous models disregard. In this paper, we lay the theoretical foundations for learning symmetry-invariant distributions on arbitrary manifolds via equivariant manifold flows. We demonstrate the utility of our approach by using it to learn gauge invariant densities over $SU(n)$ in the context of quantum field theory.
Understanding the inner workings of deep neural networks (DNNs) is essential to provide trustworthy artificial intelligence techniques for practical applications. Existing studies typically involve linking semantic concepts to units or layers of DNNs, but fail to explain the inference process. In this paper, we introduce neural architecture disentanglement (NAD) to fill the gap. Specifically, NAD learns to disentangle a pre-trained DNN into sub-architectures according to independent tasks, forming information flows that describe the inference processes. We investigate whether, where, and how the disentanglement occurs through experiments conducted with handcrafted and automatically-searched network architectures, on both object-based and scene-based datasets. Based on the experimental results, we present three new findings that provide fresh insights into the inner logic of DNNs. First, DNNs can be divided into sub-architectures for independent tasks. Second, deeper layers do not always correspond to higher semantics. Third, the connection type in a DNN affects how the information flows across layers, leading to different disentanglement behaviors. With NAD, we further explain why DNNs sometimes give wrong predictions. Experimental results show that misclassified images have a high probability of being assigned to task sub-architectures similar to the correct ones. Code will be available at: //github.com/hujiecpp/NAD.
This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does not require computationally expensive higher-order representations in intermediate layers while it still achieves competitive or better performance. In addition, whereas existing methods are limited to equivariance on 3 dimensional spaces, our model is easily scaled to higher-dimensional spaces. We demonstrate the effectiveness of our method on dynamical systems modelling, representation learning in graph autoencoders and predicting molecular properties.
Graph signals are signals with an irregular structure that can be described by a graph. Graph neural networks (GNNs) are information processing architectures tailored to these graph signals and made of stacked layers that compose graph convolutional filters with nonlinear activation functions. Graph convolutions endow GNNs with invariance to permutations of the graph nodes' labels. In this paper, we consider the design of trainable nonlinear activation functions that take into consideration the structure of the graph. This is accomplished by using graph median filters and graph max filters, which mimic linear graph convolutions and are shown to retain the permutation invariance of GNNs. We also discuss modifications to the backpropagation algorithm necessary to train local activation functions. The advantages of localized activation function architectures are demonstrated in four numerical experiments: source localization on synthetic graphs, authorship attribution of 19th century novels, movie recommender systems and scientific article classification. In all cases, localized activation functions are shown to improve model capacity.
Graph Neural Networks (GNN) come in many flavors, but should always be either invariant (permutation of the nodes of the input graph does not affect the output) or equivariant (permutation of the input permutes the output). In this paper, we consider a specific class of invariant and equivariant networks, for which we prove new universality theorems. More precisely, we consider networks with a single hidden layer, obtained by summing channels formed by applying an equivariant linear operator, a pointwise non-linearity and either an invariant or equivariant linear operator. Recently, Maron et al. (2019) showed that by allowing higher-order tensorization inside the network, universal invariant GNNs can be obtained. As a first contribution, we propose an alternative proof of this result, which relies on the Stone-Weierstrass theorem for algebra of real-valued functions. Our main contribution is then an extension of this result to the equivariant case, which appears in many practical applications but has been less studied from a theoretical point of view. The proof relies on a new generalized Stone-Weierstrass theorem for algebra of equivariant functions, which is of independent interest. Finally, unlike many previous settings that consider a fixed number of nodes, our results show that a GNN defined by a single set of parameters can approximate uniformly well a function defined on graphs of varying size.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
Hashing has been a widely-adopted technique for nearest neighbor search in large-scale image retrieval tasks. Recent research has shown that leveraging supervised information can lead to high quality hashing. However, the cost of annotating data is often an obstacle when applying supervised hashing to a new domain. Moreover, the results can suffer from the robustness problem as the data at training and test stage could come from similar but different distributions. This paper studies the exploration of generating synthetic data through semi-supervised generative adversarial networks (GANs), which leverages largely unlabeled and limited labeled training data to produce highly compelling data with intrinsic invariance and global coherence, for better understanding statistical structures of natural data. We demonstrate that the above two limitations can be well mitigated by applying the synthetic data for hashing. Specifically, a novel deep semantic hashing with GANs (DSH-GANs) is presented, which mainly consists of four components: a deep convolution neural networks (CNN) for learning image representations, an adversary stream to distinguish synthetic images from real ones, a hash stream for encoding image representations to hash codes and a classification stream. The whole architecture is trained end-to-end by jointly optimizing three losses, i.e., adversarial loss to correct label of synthetic or real for each sample, triplet ranking loss to preserve the relative similarity ordering in the input real-synthetic triplets and classification loss to classify each sample accurately. Extensive experiments conducted on both CIFAR-10 and NUS-WIDE image benchmarks validate the capability of exploiting synthetic images for hashing. Our framework also achieves superior results when compared to state-of-the-art deep hash models.
Interaction and collaboration between humans and intelligent machines has become increasingly important as machine learning methods move into real-world applications that involve end users. While much prior work lies at the intersection of natural language and vision, such as image captioning or image generation from text descriptions, less focus has been placed on the use of language to guide or improve the performance of a learned visual processing algorithm. In this paper, we explore methods to flexibly guide a trained convolutional neural network through user input to improve its performance during inference. We do so by inserting a layer that acts as a spatio-semantic guide into the network. This guide is trained to modify the network's activations, either directly via an energy minimization scheme or indirectly through a recurrent model that translates human language queries to interaction weights. Learning the verbal interaction is fully automatic and does not require manual text annotations. We evaluate the method on two datasets, showing that guiding a pre-trained network can improve performance, and provide extensive insights into the interaction between the guide and the CNN.
We introduce a guide to help deep learning practitioners understand and manipulate convolutional neural network architectures. The guide clarifies the relationship between various properties (input shape, kernel shape, zero padding, strides and output shape) of convolutional, pooling and transposed convolutional layers, as well as the relationship between convolutional and transposed convolutional layers. Relationships are derived for various cases, and are illustrated in order to make them intuitive.
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