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Controllable generation is one of the key requirements for successful adoption of deep generative models in real-world applications, but it still remains as a great challenge. In particular, the compositional ability to generate novel concept combinations is out of reach for most current models. In this work, we use energy-based models (EBMs) to handle compositional generation over a set of attributes. To make them scalable to high-resolution image generation, we introduce an EBM in the latent space of a pre-trained generative model such as StyleGAN. We propose a novel EBM formulation representing the joint distribution of data and attributes together, and we show how sampling from it is formulated as solving an ordinary differential equation (ODE). Given a pre-trained generator, all we need for controllable generation is to train an attribute classifier. Sampling with ODEs is done efficiently in the latent space and is robust to hyperparameters. Thus, our method is simple, fast to train, and efficient to sample. Experimental results show that our method outperforms the state-of-the-art in both conditional sampling and sequential editing. In compositional generation, our method excels at zero-shot generation of unseen attribute combinations. Also, by composing energy functions with logical operators, this work is the first to achieve such compositionality in generating photo-realistic images of resolution 1024x1024.

With the overwhelming popularity of Knowledge Graphs (KGs), researchers have poured attention to link prediction to fill in missing facts for a long time. However, they mainly focus on link prediction on binary relational data, where facts are usually represented as triples in the form of (head entity, relation, tail entity). In practice, n-ary relational facts are also ubiquitous. When encountering such facts, existing studies usually decompose them into triples by introducing a multitude of auxiliary virtual entities and additional triples. These conversions result in the complexity of carrying out link prediction on n-ary relational data. It has even proven that they may cause loss of structure information. To overcome these problems, in this paper, we represent each n-ary relational fact as a set of its role and role-value pairs. We then propose a method called NaLP to conduct link prediction on n-ary relational data, which explicitly models the relatedness of all the role and role-value pairs in an n-ary relational fact. We further extend NaLP by introducing type constraints of roles and role-values without any external type-specific supervision, and proposing a more reasonable negative sampling mechanism. Experimental results validate the effectiveness and merits of the proposed methods.

Generative adversarial networks (GANs) have been extensively studied in the past few years. Arguably their most significant impact has been in the area of computer vision where great advances have been made in challenges such as plausible image generation, image-to-image translation, facial attribute manipulation and similar domains. Despite the significant successes achieved to date, applying GANs to real-world problems still poses significant challenges, three of which we focus on here. These are: (1) the generation of high quality images, (2) diversity of image generation, and (3) stable training. Focusing on the degree to which popular GAN technologies have made progress against these challenges, we provide a detailed review of the state of the art in GAN-related research in the published scientific literature. We further structure this review through a convenient taxonomy we have adopted based on variations in GAN architectures and loss functions. While several reviews for GANs have been presented to date, none have considered the status of this field based on their progress towards addressing practical challenges relevant to computer vision. Accordingly, we review and critically discuss the most popular architecture-variant, and loss-variant GANs, for tackling these challenges. Our objective is to provide an overview as well as a critical analysis of the status of GAN research in terms of relevant progress towards important computer vision application requirements. As we do this we also discuss the most compelling applications in computer vision in which GANs have demonstrated considerable success along with some suggestions for future research directions. Code related to GAN-variants studied in this work is summarized on //github.com/sheqi/GAN_Review.

Knowledge graphs (KGs) are of great importance to many real world applications, but they generally suffer from incomplete information in the form of missing relations between entities. Knowledge graph completion (also known as relation prediction) is the task of inferring missing facts given existing ones. Most of the existing work is proposed by maximizing the likelihood of observed instance-level triples. Not much attention, however, is paid to the ontological information, such as type information of entities and relations. In this work, we propose a type-augmented relation prediction (TaRP) method, where we apply both the type information and instance-level information for relation prediction. In particular, type information and instance-level information are encoded as prior probabilities and likelihoods of relations respectively, and are combined by following Bayes' rule. Our proposed TaRP method achieves significantly better performance than state-of-the-art methods on three benchmark datasets: FB15K, YAGO26K-906, and DB111K-174. In addition, we show that TaRP achieves significantly improved data efficiency. More importantly, the type information extracted from a specific dataset can generalize well to other datasets through the proposed TaRP model.

Generative adversarial nets (GANs) have generated a lot of excitement. Despite their popularity, they exhibit a number of well-documented issues in practice, which apparently contradict theoretical guarantees. A number of enlightening papers have pointed out that these issues arise from unjustified assumptions that are commonly made, but the message seems to have been lost amid the optimism of recent years. We believe the identified problems deserve more attention, and highlight the implications on both the properties of GANs and the trajectory of research on probabilistic models. We recently proposed an alternative method that sidesteps these problems.

Matter evolved under influence of gravity from minuscule density fluctuations. Non-perturbative structure formed hierarchically over all scales, and developed non-Gaussian features in the Universe, known as the Cosmic Web. To fully understand the structure formation of the Universe is one of the holy grails of modern astrophysics. Astrophysicists survey large volumes of the Universe and employ a large ensemble of computer simulations to compare with the observed data in order to extract the full information of our own Universe. However, to evolve trillions of galaxies over billions of years even with the simplest physics is a daunting task. We build a deep neural network, the Deep Density Displacement Model (hereafter D$^3$M), to predict the non-linear structure formation of the Universe from simple linear perturbation theory. Our extensive analysis, demonstrates that D$^3$M outperforms the second order perturbation theory (hereafter 2LPT), the commonly used fast approximate simulation method, in point-wise comparison, 2-point correlation, and 3-point correlation. We also show that D$^3$M is able to accurately extrapolate far beyond its training data, and predict structure formation for significantly different cosmological parameters. Our study proves, for the first time, that deep learning is a practical and accurate alternative to approximate simulations of the gravitational structure formation of the Universe.

Deep structured models are widely used for tasks like semantic segmentation, where explicit correlations between variables provide important prior information which generally helps to reduce the data needs of deep nets. However, current deep structured models are restricted by oftentimes very local neighborhood structure, which cannot be increased for computational complexity reasons, and by the fact that the output configuration, or a representation thereof, cannot be transformed further. Very recent approaches which address those issues include graphical model inference inside deep nets so as to permit subsequent non-linear output space transformations. However, optimization of those formulations is challenging and not well understood. Here, we develop a novel model which generalizes existing approaches, such as structured prediction energy networks, and discuss a formulation which maintains applicability of existing inference techniques.

Recent years have witnessed the enormous success of low-dimensional vector space representations of knowledge graphs to predict missing facts or find erroneous ones. Currently, however, it is not yet well-understood how ontological knowledge, e.g. given as a set of (existential) rules, can be embedded in a principled way. To address this shortcoming, in this paper we introduce a framework based on convex regions, which can faithfully incorporate ontological knowledge into the vector space embedding. Our technical contribution is two-fold. First, we show that some of the most popular existing embedding approaches are not capable of modelling even very simple types of rules. Second, we show that our framework can represent ontologies that are expressed using so-called quasi-chained existential rules in an exact way, such that any set of facts which is induced using that vector space embedding is logically consistent and deductively closed with respect to the input ontology.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.

Networks provide a powerful formalism for modeling complex systems, by representing the underlying set of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to-person, collaboration among a team rather than a pair of co-authors, or biological interaction between a set of molecules rather than just two. We refer to these type of simultaneous interactions on sets of more than two nodes as higher-order interactions; they are ubiquitous, but the empirical study of them has lacked a general framework for evaluating higher-order models. Here we introduce such a framework, based on link prediction, a fundamental problem in network analysis. The traditional link prediction problem seeks to predict the appearance of new links in a network, and here we adapt it to predict which (larger) sets of elements will have future interactions. We study the temporal evolution of 19 datasets from a variety of domains, and use our higher-order formulation of link prediction to assess the types of structural features that are most predictive of new multi-way interactions. Among our results, we find that different domains vary considerably in their distribution of higher-order structural parameters, and that the higher-order link prediction problem exhibits some fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.