In graph theory, as well as in 3-manifold topology, there exist several width-type parameters to describe how "simple" or "thin" a given graph or 3-manifold is. These parameters, such as pathwidth or treewidth for graphs, or the concept of thin position for 3-manifolds, play an important role when studying algorithmic problems; in particular, there is a variety of problems in computational 3-manifold topology - some of them known to be computationally hard in general - that become solvable in polynomial time as soon as the dual graph of the input triangulation has bounded treewidth. In view of these algorithmic results, it is natural to ask whether every 3-manifold admits a triangulation of bounded treewidth. We show that this is not the case, i.e., that there exists an infinite family of closed 3-manifolds not admitting triangulations of bounded pathwidth or treewidth (the latter implies the former, but we present two separate proofs). We derive these results from work of Agol, of Scharlemann and Thompson, and of Scharlemann, Schultens and Saito by exhibiting explicit connections between the topology of a 3-manifold M on the one hand and width-type parameters of the dual graphs of triangulations of M on the other hand, answering a question that had been raised repeatedly by researchers in computational 3-manifold topology. In particular, we show that if a closed, orientable, irreducible, non-Haken 3-manifold M has a triangulation of treewidth (resp. pathwidth) k then the Heegaard genus of M is at most 18(k+1) (resp. 4(3k+1)).
Iterative hard thresholding (IHT) has gained in popularity over the past decades in large-scale optimization. However, convergence properties of this method have only been explored recently in non-convex settings. In matrix completion, existing works often focus on the guarantee of global convergence of IHT via standard assumptions such as incoherence property and uniform sampling. While such analysis provides a global upper bound on the linear convergence rate, it does not describe the actual performance of IHT in practice. In this paper, we provide a novel insight into the local convergence of a specific variant of IHT for matrix completion. We uncover the exact linear rate of IHT in a closed-form expression and identify the region of convergence in which the algorithm is guaranteed to converge. Furthermore, we utilize random matrix theory to study the linear rate of convergence of IHTSVD for large-scale matrix completion. We find that asymptotically, the rate can be expressed in closed form in terms of the relative rank and the sampling rate. Finally, we present various numerical results to verify the aforementioned theoretical analysis.
Reward is the driving force for reinforcement-learning agents. This paper is dedicated to understanding the expressivity of reward as a way to capture tasks that we would want an agent to perform. We frame this study around three new abstract notions of "task" that might be desirable: (1) a set of acceptable behaviors, (2) a partial ordering over behaviors, or (3) a partial ordering over trajectories. Our main results prove that while reward can express many of these tasks, there exist instances of each task type that no Markov reward function can capture. We then provide a set of polynomial-time algorithms that construct a Markov reward function that allows an agent to optimize tasks of each of these three types, and correctly determine when no such reward function exists. We conclude with an empirical study that corroborates and illustrates our theoretical findings.
The inductive biases of graph representation learning algorithms are often encoded in the background geometry of their embedding space. In this paper, we show that general directed graphs can be effectively represented by an embedding model that combines three components: a pseudo-Riemannian metric structure, a non-trivial global topology, and a unique likelihood function that explicitly incorporates a preferred direction in embedding space. We demonstrate the representational capabilities of this method by applying it to the task of link prediction on a series of synthetic and real directed graphs from natural language applications and biology. In particular, we show that low-dimensional cylindrical Minkowski and anti-de Sitter spacetimes can produce equal or better graph representations than curved Riemannian manifolds of higher dimensions.
Graph neural networks (GNNs) are effective machine learning models for various graph learning problems. Despite their empirical successes, the theoretical limitations of GNNs have been revealed recently. Consequently, many GNN models have been proposed to overcome these limitations. In this survey, we provide a comprehensive overview of the expressive power of GNNs and provably powerful variants of GNNs.
Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics system, learning molecular fingerprints, predicting protein interface, and classifying diseases require a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures, like the dependency tree of sentences and the scene graph of images, is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are connectionist models that capture the dependence of graphs via message passing between the nodes of graphs. Unlike standard neural networks, graph neural networks retain a state that can represent information from its neighborhood with arbitrary depth. Although the primitive GNNs have been found difficult to train for a fixed point, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful learning with them. In recent years, systems based on variants of graph neural networks such as graph convolutional network (GCN), graph attention network (GAT), gated graph neural network (GGNN) have demonstrated ground-breaking performance on many tasks mentioned above. In this survey, we provide a detailed review over existing graph neural network models, systematically categorize the applications, and propose four open problems for future research.
Data augmentation is rapidly gaining attention in machine learning. Synthetic data can be generated by simple transformations or through the data distribution. In the latter case, the main challenge is to estimate the label associated to new synthetic patterns. This paper studies the effect of generating synthetic data by convex combination of patterns and the use of these as unsupervised information in a semi-supervised learning framework with support vector machines, avoiding thus the need to label synthetic examples. We perform experiments on a total of 53 binary classification datasets. Our results show that this type of data over-sampling supports the well-known cluster assumption in semi-supervised learning, showing outstanding results for small high-dimensional datasets and imbalanced learning problems.
There has been appreciable progress in unsupervised network representation learning (UNRL) approaches over graphs recently with flexible random-walk approaches, new optimization objectives and deep architectures. However, there is no common ground for systematic comparison of embeddings to understand their behavior for different graphs and tasks. In this paper we theoretically group different approaches under a unifying framework and empirically investigate the effectiveness of different network representation methods. In particular, we argue that most of the UNRL approaches either explicitly or implicit model and exploit context information of a node. Consequently, we propose a framework that casts a variety of approaches -- random walk based, matrix factorization and deep learning based -- into a unified context-based optimization function. We systematically group the methods based on their similarities and differences. We study the differences among these methods in detail which we later use to explain their performance differences (on downstream tasks). We conduct a large-scale empirical study considering 9 popular and recent UNRL techniques and 11 real-world datasets with varying structural properties and two common tasks -- node classification and link prediction. We find that there is no single method that is a clear winner and that the choice of a suitable method is dictated by certain properties of the embedding methods, task and structural properties of the underlying graph. In addition we also report the common pitfalls in evaluation of UNRL methods and come up with suggestions for experimental design and interpretation of results.
Network embedding aims to learn a latent, low-dimensional vector representations of network nodes, effective in supporting various network analytic tasks. While prior arts on network embedding focus primarily on preserving network topology structure to learn node representations, recently proposed attributed network embedding algorithms attempt to integrate rich node content information with network topological structure for enhancing the quality of network embedding. In reality, networks often have sparse content, incomplete node attributes, as well as the discrepancy between node attribute feature space and network structure space, which severely deteriorates the performance of existing methods. In this paper, we propose a unified framework for attributed network embedding-attri2vec-that learns node embeddings by discovering a latent node attribute subspace via a network structure guided transformation performed on the original attribute space. The resultant latent subspace can respect network structure in a more consistent way towards learning high-quality node representations. We formulate an optimization problem which is solved by an efficient stochastic gradient descent algorithm, with linear time complexity to the number of nodes. We investigate a series of linear and non-linear transformations performed on node attributes and empirically validate their effectiveness on various types of networks. Another advantage of attri2vec is its ability to solve out-of-sample problems, where embeddings of new coming nodes can be inferred from their node attributes through the learned mapping function. Experiments on various types of networks confirm that attri2vec is superior to state-of-the-art baselines for node classification, node clustering, as well as out-of-sample link prediction tasks. The source code of this paper is available at //github.com/daokunzhang/attri2vec.
We present the problem of selecting relevant premises for a proof of a given statement. When stated as a binary classification task for pairs (conjecture, axiom), it can be efficiently solved using artificial neural networks. The key difference between our advance to solve this problem and previous approaches is the use of just functional signatures of premises. To further improve the performance of the model, we use dimensionality reduction technique, to replace long and sparse signature vectors with their compact and dense embedded versions. These are obtained by firstly defining the concept of a context for each functor symbol, and then training a simple neural network to predict the distribution of other functor symbols in the context of this functor. After training the network, the output of its hidden layer is used to construct a lower dimensional embedding of a functional signature (for each premise) with a distributed representation of features. This allows us to use 512-dimensional embeddings for conjecture-axiom pairs, containing enough information about the original statements to reach the accuracy of 76.45% in premise selection task, only with simple two-layer densely connected neural networks.
In this work we present a novel unsupervised framework for hard training example mining. The only input to the method is a collection of images relevant to the target application and a meaningful initial representation, provided e.g. by pre-trained CNN. Positive examples are distant points on a single manifold, while negative examples are nearby points on different manifolds. Both types of examples are revealed by disagreements between Euclidean and manifold similarities. The discovered examples can be used in training with any discriminative loss. The method is applied to unsupervised fine-tuning of pre-trained networks for fine-grained classification and particular object retrieval. Our models are on par or are outperforming prior models that are fully or partially supervised.