We study a generalization of relative submajorization that compares pairs of positive operators on representation spaces of some fixed group. A pair equivariantly relatively submajorizes another if there is an equivariant subnormalized channel that takes the components of the first pair to a pair satisfying similar positivity constraints as in the definition of relative submajorization. In the context of the resource theory approach to thermodynamics, this generalization allows one to study transformations by Gibbs-preserving maps that are in addition time-translation symmetric. We find a sufficient condition for the existence of catalytic transformations and a characterization of an asymptotic relaxation of the relation. For classical and certain quantum pairs the characterization is in terms of explicit monotone quantities related to the sandwiched quantum R\'enyi divergences. In the general quantum case the relevant quantities are given only implicitly. Nevertheless, we find a large collection of monotones that provide necessary conditions for asymptotic or catalytic transformations. When applied to time-translation symmetric maps, these give rise to second laws that constrain state transformations allowed by thermal operations even in the presence of catalysts.
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Spectral clustering has been one of the widely used methods for community detection in networks. However, large-scale networks bring computational challenges to the eigenvalue decomposition therein. In this paper, we study the spectral clustering using randomized sketching algorithms from a statistical perspective, where we typically assume the network data are generated from a stochastic block model that is not necessarily of full rank. To do this, we first use the recently developed sketching algorithms to obtain two randomized spectral clustering algorithms, namely, the random projection-based and the random sampling-based spectral clustering. Then we study the theoretical bounds of the resulting algorithms in terms of the approximation error for the population adjacency matrix, the misclassification error, and the estimation error for the link probability matrix. It turns out that, under mild conditions, the randomized spectral clustering algorithms lead to the same theoretical bounds as those of the original spectral clustering algorithm. We also extend the results to degree-corrected stochastic block models. Numerical experiments support our theoretical findings and show the efficiency of randomized methods. A new R package called Rclust is developed and made available to the public.
We present an index theory of equilibria for extensive form games. This requires developing an index theory for games where the strategy sets of players are general polytopes and their payoff functions are multiaffine in the product of these polytopes. Such polytopes arise from identifying (topologically) equivalent mixed strategies of a normal form game.
Recent advances in quantized compressed sensing and high-dimensional estimation have shown that signal recovery is even feasible under strong non-linear distortions in the observation process. An important characteristic of associated guarantees is uniformity, i.e., recovery succeeds for an entire class of structured signals with a fixed measurement ensemble. However, despite significant results in various special cases, a general understanding of uniform recovery from non-linear observations is still missing. This paper develops a unified approach to this problem under the assumption of i.i.d. sub-Gaussian measurement vectors. Our main result shows that a simple least-squares estimator with any convex constraint can serve as a universal recovery strategy, which is outlier robust and does not require explicit knowledge of the underlying non-linearity. Based on empirical process theory, a key technical novelty is an approximative increment condition that can be implemented for all common types of non-linear models. This flexibility allows us to apply our approach to a variety of problems in non-linear compressed sensing and high-dimensional statistics, leading to several new and improved guarantees. Each of these applications is accompanied by a conceptually simple and systematic proof, which does not rely on any deeper properties of the observation model. On the other hand, known local stability properties can be incorporated into our framework in a plug-and-play manner, thereby implying near-optimal error bounds.
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.
Recent advances in Graph Convolutional Neural Networks (GCNNs) have shown their efficiency for non-Euclidean data on graphs, which often require a large amount of labeled data with high cost. It it thus critical to learn graph feature representations in an unsupervised manner in practice. To this end, we propose a novel unsupervised learning of Graph Transformation Equivariant Representations (GraphTER), aiming to capture intrinsic patterns of graph structure under both global and local transformations. Specifically, we allow to sample different groups of nodes from a graph and then transform them node-wise isotropically or anisotropically. Then, we self-train a representation encoder to capture the graph structures by reconstructing these node-wise transformations from the feature representations of the original and transformed graphs. In experiments, we apply the learned GraphTER to graphs of 3D point cloud data, and results on point cloud segmentation/classification show that GraphTER significantly outperforms state-of-the-art unsupervised approaches and pushes greatly closer towards the upper bound set by the fully supervised counterparts.
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.
Current image captioning approaches generate descriptions which lack specific information, such as named entities that are involved in the images. In this paper we propose a new task which aims to generate informative image captions, given images and hashtags as input. We propose a simple but effective approach to tackle this problem. We first train a convolutional neural networks - long short term memory networks (CNN-LSTM) model to generate a template caption based on the input image. Then we use a knowledge graph based collective inference algorithm to fill in the template with specific named entities retrieved via the hashtags. Experiments on a new benchmark dataset collected from Flickr show that our model generates news-style image descriptions with much richer information. Our model outperforms unimodal baselines significantly with various evaluation metrics.
Network embedding has become a hot research topic recently which can provide low-dimensional feature representations for many machine learning applications. Current work focuses on either (1) whether the embedding is designed as an unsupervised learning task by explicitly preserving the structural connectivity in the network, or (2) whether the embedding is a by-product during the supervised learning of a specific discriminative task in a deep neural network. In this paper, we focus on bridging the gap of the two lines of the research. We propose to adapt the Generative Adversarial model to perform network embedding, in which the generator is trying to generate vertex pairs, while the discriminator tries to distinguish the generated vertex pairs from real connections (edges) in the network. Wasserstein-1 distance is adopted to train the generator to gain better stability. We develop three variations of models, including GANE which applies cosine similarity, GANE-O1 which preserves the first-order proximity, and GANE-O2 which tries to preserves the second-order proximity of the network in the low-dimensional embedded vector space. We later prove that GANE-O2 has the same objective function as GANE-O1 when negative sampling is applied to simplify the training process in GANE-O2. Experiments with real-world network datasets demonstrate that our models constantly outperform state-of-the-art solutions with significant improvements on precision in link prediction, as well as on visualizations and accuracy in clustering tasks.
Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due to the non-unique, high-dimensional nature of graphs and the complex, non-local dependencies that exist between edges in a given graph. Here we propose GraphRNN, a deep autoregressive model that addresses the above challenges and approximates any distribution of graphs with minimal assumptions about their structure. GraphRNN learns to generate graphs by training on a representative set of graphs and decomposes the graph generation process into a sequence of node and edge formations, conditioned on the graph structure generated so far. In order to quantitatively evaluate the performance of GraphRNN, we introduce a benchmark suite of datasets, baselines and novel evaluation metrics based on Maximum Mean Discrepancy, which measure distances between sets of graphs. Our experiments show that GraphRNN significantly outperforms all baselines, learning to generate diverse graphs that match the structural characteristics of a target set, while also scaling to graphs 50 times larger than previous deep models.
Zero shot learning in Image Classification refers to the setting where images from some novel classes are absent in the training data but other information such as natural language descriptions or attribute vectors of the classes are available. This setting is important in the real world since one may not be able to obtain images of all the possible classes at training. While previous approaches have tried to model the relationship between the class attribute space and the image space via some kind of a transfer function in order to model the image space correspondingly to an unseen class, we take a different approach and try to generate the samples from the given attributes, using a conditional variational autoencoder, and use the generated samples for classification of the unseen classes. By extensive testing on four benchmark datasets, we show that our model outperforms the state of the art, particularly in the more realistic generalized setting, where the training classes can also appear at the test time along with the novel classes.
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