In this study, we consider an empirical Bayes method for Boltzmann machines and propose an algorithm for it. The empirical Bayes method allows estimation of the values of the hyperparameters of the Boltzmann machine by maximizing a specific likelihood function referred to as the empirical Bayes likelihood function in this study. However, the maximization is computationally hard because the empirical Bayes likelihood function involves intractable integrations of the partition function. The proposed algorithm avoids this computational problem by using the replica method and the Plefka expansion. Our method does not require any iterative procedures and is quite simple and fast, though it introduces a bias to the estimate, which exhibits an unnatural behavior with respect to the size of the dataset. This peculiar behavior is supposed to be due to the approximate treatment by the Plefka expansion. A possible extension to overcome this behavior is also discussed.

In this paper, a neural architecture search (NAS) framework is proposed for 3D medical image segmentation, to automatically optimize a neural architecture from a large design space. Our NAS framework searches the structure of each layer including neural connectivities and operation types in both of the encoder and decoder. Since optimizing over a large discrete architecture space is difficult due to high-resolution 3D medical images, a novel stochastic sampling algorithm based on a continuous relaxation is also proposed for scalable gradient based optimization. On the 3D medical image segmentation tasks with a benchmark dataset, an automatically designed architecture by the proposed NAS framework outperforms the human-designed 3D U-Net, and moreover this optimized architecture is well suited to be transferred for different tasks.

We consider differentiable games: multi-objective minimization problems, where the goal is to find a Nash equilibrium. The machine learning community has recently started using extrapolation-based variants of the gradient method. A prime example is the extragradient, which yields linear convergence in cases like bilinear games, where the standard gradient method fails. The full benefits of extrapolation-based methods are not known: i) there is no unified analysis for a large class of games that includes both strongly monotone and bilinear games; ii) it is not known whether the rate achieved by extragradient can be improved, e.g. by considering multiple extrapolation steps. We answer these questions through new analysis of the extragradient's local and global convergence properties. Our analysis covers the whole range of settings between purely bilinear and strongly monotone games. It reveals that extragradient converges via different mechanisms at these extremes; in between, it exploits the most favorable mechanism for the given problem. We then present lower bounds on the rate of convergence for a wide class of algorithms with any number of extrapolations. Our bounds prove that the extragradient achieves the optimal rate in this class, and that our upper bounds are tight. Our precise characterization of the extragradient's convergence behavior in games shows that, unlike in convex optimization, the extragradient method may be much faster than the gradient method.

While likelihood-based inference and its variants provide a statistically efficient and widely applicable approach to parametric inference, their application to models involving intractable likelihoods poses challenges. In this work, we study a class of minimum distance estimators for intractable generative models, that is, statistical models for which the likelihood is intractable, but simulation is cheap. The distance considered, maximum mean discrepancy (MMD), is defined through the embedding of probability measures into a reproducing kernel Hilbert space. We study the theoretical properties of these estimators, showing that they are consistent, asymptotically normal and robust to model misspecification. A main advantage of these estimators is the flexibility offered by the choice of kernel, which can be used to trade-off statistical efficiency and robustness. On the algorithmic side, we study the geometry induced by MMD on the parameter space and use this to introduce a novel natural gradient descent-like algorithm for efficient implementation of these estimators. We illustrate the relevance of our theoretical results on several classes of models including a discrete-time latent Markov process and two multivariate stochastic differential equation models.

Learning node embeddings that capture a node's position within the broader graph structure is crucial for many prediction tasks on graphs. However, existing Graph Neural Network (GNN) architectures have limited power in capturing the position/location of a given node with respect to all other nodes of the graph. Here we propose Position-aware Graph Neural Networks (P-GNNs), a new class of GNNs for computing position-aware node embeddings. P-GNN first samples sets of anchor nodes, computes the distance of a given target node to each anchor-set,and then learns a non-linear distance-weighted aggregation scheme over the anchor-sets. This way P-GNNs can capture positions/locations of nodes with respect to the anchor nodes. P-GNNs have several advantages: they are inductive, scalable,and can incorporate node feature information. We apply P-GNNs to multiple prediction tasks including link prediction and community detection. We show that P-GNNs consistently outperform state of the art GNNs, with up to 66% improvement in terms of the ROC AUC score.

Image compression is an essential approach for decreasing the size in bytes of the image without deteriorating the quality of it. Typically, classic algorithms are used but recently deep-learning has been successfully applied. In this work, is presented a deep super-resolution work-flow for image compression that maps low-resolution JPEG image to the high-resolution. The pipeline consists of two components: first, an encoder-decoder neural network learns how to transform the downsampling JPEG images to high resolution. Second, a combination between Generative Adversarial Networks (GANs) and reinforcement learning Actor-Critic (A3C) loss pushes the encoder-decoder to indirectly maximize High Peak Signal-to-Noise Ratio (PSNR). Although PSNR is a fully differentiable metric, this work opens the doors to new solutions for maximizing non-differential metrics through an end-to-end approach between encoder-decoder networks and reinforcement learning policy gradient methods.

Knowledge graphs capture structured information and relations between a set of entities or items. As such knowledge graphs represent an attractive source of information that could help improve recommender systems. However, existing approaches in this domain rely on manual feature engineering and do not allow for an end-to-end training. Here we propose Knowledge-aware Graph Neural Networks with Label Smoothness regularization (KGNN-LS) to provide better recommendations. Conceptually, our approach computes user-specific item embeddings by first applying a trainable function that identifies important knowledge graph relationships for a given user. This way we transform the knowledge graph into a user-specific weighted graph and then apply a graph neural network to compute personalized item embeddings. To provide better inductive bias, we rely on label smoothness assumption, which posits that adjacent items in the knowledge graph are likely to have similar user relevance labels/scores. Label smoothness provides regularization over the edge weights and we prove that it is equivalent to a label propagation scheme on a graph. We also develop an efficient implementation that shows strong scalability with respect to the knowledge graph size. Experiments on four datasets show that our method outperforms state of the art baselines. KGNN-LS also achieves strong performance in cold-start scenarios where user-item interactions are sparse.

We propose multi-type probabilistic serial (MPS) and multi-type random priority (MRP) as extensions of the well known PS and RP mechanisms to the multi-type resource allocation problem (MTRA) with partial preferences. In our setting, there are multiple types of divisible items, and a group of agents who have partial order preferences over bundles consisting of one item of each type. We show that for the unrestricted domain of partial order preferences, no mechanism satisfies both sd-efficiency and sd-envy-freeness. Notwithstanding this impossibility result, our main message is positive: When agents' preferences are represented by acyclic CP-nets, MPS satisfies sd-efficiency, sd-envy-freeness, ordinal fairness, and upper invariance, while MRP satisfies ex-post-efficiency, sd-strategy-proofness, and upper invariance, recovering the properties of PS and RP.

We introduce a nonlinear method for directly embedding large, sparse, stochastic graphs into low-dimensional spaces, without requiring vertex features to reside in, or be transformed into, a metric space. Graph data and models are prevalent in real-world applications. Direct graph embedding is fundamental to many graph analysis tasks, in addition to graph visualization. We name the novel approach SG-t-SNE, as it is inspired by and builds upon the core principle of t-SNE, a widely used method for nonlinear dimensionality reduction and data visualization. We also introduce t-SNE-$\Pi$, a high-performance software for 2D, 3D embedding of large sparse graphs on personal computers with superior efficiency. It empowers SG-t-SNE with modern computing techniques for exploiting in tandem both matrix structures and memory architectures. We present elucidating embedding results on one synthetic graph and four real-world networks.

Inferring new facts from existing knowledge graphs (KG) with explainable reasoning processes is a significant problem and has received much attention recently. However, few studies have focused on relation types unseen in the original KG, given only one or a few instances for training. To bridge this gap, we propose CogKR for one-shot KG reasoning. The one-shot relational learning problem is tackled through two modules: the summary module summarizes the underlying relationship of the given instances, based on which the reasoning module infers the correct answers. Motivated by the dual process theory in cognitive science, in the reasoning module, a cognitive graph is built by iteratively coordinating retrieval (System 1, collecting relevant evidence intuitively) and reasoning (System 2, conducting relational reasoning over collected information). The structural information offered by the cognitive graph enables our model to aggregate pieces of evidence from multiple reasoning paths and explain the reasoning process graphically. Experiments show that CogKR substantially outperforms previous state-of-the-art models on one-shot KG reasoning benchmarks, with relative improvements of 24.3%-29.7% on MRR. The source code is available at https://github.com/THUDM/CogKR.